@text EXPLORING MOLECULAR STRUCTURE EXERCISE 1 PROTEIN STRUCTURE Kinemage 1 Amino acids and the formation of a peptide chain Kinemage 2 Secondary structure of a helix Kinemage 3 Tertiary structure of helices in a globular protein Kinemage 4 Secondary structure of a beta strand Kinemage 5 Tertiary structure of beta strands in a beta sheet Kinemage 6 Beta sheets in a globular protein _________________________ This exercise allows you to explore how amino acids are linked by peptide bonds characterized by phi and psi angles. The most common secondary structures, the alpha helix and the beta sheet, are examined. The assembly of helices and sheets into globular proteins is also explored. There are six kinemage files in this exercise (K1-K6), and each kinemage has several views. KINEMAGE 1 Amino acids and the formation of a peptide chain K1 View 1 An amino acid is displayed. Identify all the atoms of the amino acid (carbons are green, nitrogens are blue, and oxygens are red): (A) the alpha carbon (ca) and its attached hydrogen (ha) (B) the carbonyl carbon (c) and its attached oxygens (o1 and o2) (C) the nitrogen (n) and its attached hydrogens (h1 and h2) (D) the beta carbon (cb) Click on each atom and note its name. The residue name and number are also given at the bottom of the window. Initially, the side chain is displayed only as the beta carbon (green ball). Turn the master button for each group on and off: (A) {main chain}: the bonds from the nitrogen to the alpha carbon to the carbonyl carbon and carbonyl oxygens (B) {ca - cb}: the ca-cb bond (C) {main chain H}: the main chain hydrogens (D) {side chain} (displayed in green) (E) {side chain H}: the side chain hydrogens ({side chain} must be on for the hydrogens to be visible) Which amino acid is displayed? K1 View 2 With only the main chain, ca-cb, and main chain hydrogens on, select View2 (from the VIEWS pull-down menu) and turn on {*2 aa} to form a dipeptide. Toggle {*2 aa} on and off, then turn off {*1 aa}. Which atom of the first amino acid is removed? What takes its place? Turn on {peptide 1} and then toggle the {bonds 1} button on and off to highlight three bonds of the peptide group in color. Electrons of the highlighted bonds are somewhat delocalized, preventing free rotation around the central C-N bond. The {plane 1} button also highlights the peptide group, which consists of the amide nitrogen and hydrogen, the carbonyl carbon and oxygen, and the alpha carbons on each side of the peptide bond. Rotate the molecule to see that these atoms all lie in a plane. Is the peptide bond cis or trans? One way to determine whether the peptide bond is cis or trans is to measure the torsion angle. First, select Measures under the Other pull-down menu, then measure the dihedral angle (dhr, at the bottom of the graphics window) between the following four atoms: the carbonyl oxygen, the carbonyl carbon, the amide nitrogen and the amide hydrogen. (These are the four atoms colored bright pink when {bonds 1} is turned on.) A dihedral angle near 180 degrees indicates a trans bond; an angle near 0 degrees indicates a cis bond. Because the dihedral angle of the peptide bond shown (175.5 degrees ) is close to 180 degrees, the bond is trans. K1 View 3 Switch to View3 and turn on {*3 aa} to form a tripeptide. Turn off {*2 aa}. The bonds of the peptide group and the bond plane can be highlighted when the {peptide 2} button is turned on. Is the second peptide bond also trans? Measure the phi and psi angles of the middle amino acid. The phi angle of a particular amino acid (numbered as n) is the dihedral angle measured by selecting the following four atoms: the carbonyl carbon from the previous amino acid (n-1), the amide nitrogen of the amino acid of interest (n), the alpha carbon (n), and the carbonyl carbon (n). The psi angle of the amino acid (n) is measured by picking the following four atoms: the amide nitrogen (n), the alpha carbon (n), the carbonyl carbon (n), and the amide nitrogen of the following amino acid (n+1). It may be easier to find the correct atoms when only {main chain} and {ca - cb} in the master button list are turned on. The phi angle is -129.2 degrees, and the psi angle is 105.0 degrees. Turn on {*4 aa} and turn off {*3 aa} to display a tetrapeptide. Question: What are the phi and psi torsion angles of the third residue? It may be necessary to rotate the image. Answer: The phi angle is -49.5 degrees, and the psi angle is -43.3 degrees. Turn off Measures and click on the {ANIMATE} button to step through the sequence of amino acid additions. Rotate the peptide in various ways and repeat the animation. Are the planes of the three peptide bonds aligned? This tetrapeptide is a sequence of amino acids from the protein myohemerythrin, whose structure was determined by X-ray crystallography. _________________________ KINEMAGE 2 Secondary structure of a helix To view the next kinemage, choose Next from the KINEMAGE pull-down menu. The caption window at the bottom of the screen helps you keep track of which image appears in the graphics window. K2 View 1 A single amino acid is shown. Locate the following: (A) the alpha carbon (B) the carbonyl carbon and its attached oxygens (C) the nitrogen (D) the beta carbon Note that fewer atoms are highlighted with colored atom markers in this kinemage. Which atoms are marked? K2 View 2 Change to View2 and do four animation steps. You will see one full turn of an alpha helix. Rotate the helix. (You can return to the starting point by selecting View2 from the VIEWS menu.) In which direction do all the carbonyl oxygens point? The nitrogens? Note that a hydrogen bond (yellow) is formed with the completion of one helical turn. Turn on {1 loop} to highlight in color the atoms that form the loop closed by this hydrogen bond. (To locate the loop on a black-and-white monitor, turn {*1 turn} off and on.) There are 13 atoms in the loop. The 13th atom is the amide hydrogen, which is not displayed but can be considered to be at the top edge of the hydrogen bond. This arrangement is the reason why the alpha helix is designated 3.6(13). It takes 3.6 residues to form one complete turn. K2 View 3 Change to View3 and continue the animation. Follow the completion of two more turns of the helix. Note that a new hydrogen bond is formed with each amino acid added. Additional 13-atom loops can be highlighted in color with {2 loop} and {3 loop}. (To locate the loops on a black-and-white monitor, turn {*3 turns} off and on.) Rotate the helix and note that it is essentially a long spring. How many amino acids make up this helix? How long is it in angstroms? (Pick the first alpha carbon and the last alpha carbon.) Question: Based on these values, what is the average rise per amino acid? Answer: 18.4 angstroms/12 residues = 1.5 angstroms/residue. (Although 13 residues are shown, there are only 12 rises.) Measure the phi and psi angles for several residues in the helix. The phi angle is measured between the following four atoms: c (residue n-1), n (n), ca (n) and c (n), and the psi angle is measured between the following four atoms: n (residue n), ca (n), c (n), and n (n+1). Are all the phi angles in the alpha helix the same? What about the psi angles? A helix is considered a repetitive structure because each residue has approximately the same phi and psi values. Question: What is the average phi angle of a residue in this alpha helix? What is the average psi angle? Answer: The average phi angle is -65.0 degrees; the average psi angle is -39.8 degrees. K2 View 4 Turn off {1 loop}, {2 loop}, and {3 loop}. Rotate the image in View3 or switch to View4 to look down the center of the helix. What shape does the backbone give the outer edge of the helix? Note that the ca-cb vectors point outwards like a pinwheel. Repeat the animation with the helix in this position and note that the ca-cb vectors are all staggered with respect to one another. The ca-cb vectors do not overlap until the beginning of the third turn. Turn on {side chains} so that all amino acid side chains are displayed. Turning on {phobic} highlights only the hydrophobic side chains (green). Where are they located? Now turn on {philic}, which highlights the hydrophilic side chains (blue). Where are they located with respect to the hydrophobic amino acid residues? To see just the hydrophobic or just the hydrophilic side chains (or if you have a black-and-white monitor), turn off {all sc} and toggle either {phobic} or {philic} on and off. This image shows an amphipathic helix, which has one hydrophilic surface and one hydrophobic surface. The hydrophobic surface allows the helix to pack against the interior of the protein molecule, while the hydrophilic surface is accessible to the solvent. Note that there are two residues not highlighted by the {phobic} and {philic} buttons. They are hydrophilic residues on the hydrophobic side of the helix and are controlled by the {ligands} button. The two residues function as ligands that bind iron atoms in the interior of myohemerythrin. Iron binding will be discussed in more detail in the following kinemage. Turn off all buttons then turn on {C alphas} to see a simpler representation of a helix. This view shows lines only between the alpha carbons of the amino acids in the helix. (In most other exercises of Exploring Molecular Structure, proteins are displayed as alpha-carbon backbones.) Rotate the image in order to view the helix from the side. The alpha-carbon line is colored green with a blue tip at the N-terminus of the chain and a red tip at the C-terminus of the chain. These colors indicate the direction of the polypeptide chain through the helix and highlight the electrostatic dipole of the helix. (If you have a black-and-white monitor, you can determine chain direction by clicking on alpha carbons to reveal their residue numbers.) Toggle {*3 turns} on and off to compare the two different representations of the alpha helix. Question: Does the helix turn in a right-handed or a left-handed direction? One way to determine handedness is to visualize the protein strand as a spiral staircase. Imagine that you are descending the staircase; if you make right turns, the helix is right-handed. Alternatively, you can imagine wrapping your hand around the twisted strand and moving your hand in the direction your thumb is pointing. If the fingers of your right hand curl in the same direction as the strand, the strand is right-handed. Answer: The alpha helix is right-handed. Side chains can be displayed with the alpha-carbon backbone by turning on {side chains} and {all sc}. Note how the arrangement of side chains in the alpha helix minimizes steric interference. _________________________ KINEMAGE 3 Tertiary structure of helices in a globular protein K3 View 1 The backbone of a single helix appears in the graphics window. This is the same helix as in the previous kinemage. Turn on {*helix 1} to display the alpha-carbon representation of the helix. Turn off {main chain} and begin the animation. The animation adds consecutive sections of the main chain of the protein. The connecting loops are irregular structures, displayed in yellow. Note that the loops are relatively short connections. The master button {loops} controls these parts of the molecule. Question: Are the helices in this protein arranged parallel or antiparallel with respect to one another? Answer: The helices are antiparallel. The C-terminus of the first helix is packed against the N-terminus of the second helix, and so on. At the {*helix 4} step in the animation, pause to measure the average distance separating the backbones of the helices. Measure the distance between helix 1 and helix 2 (for example, between ca 24 and ca 54 and between ca 28 and ca 50). Question: How does this distance compare to the distances between the other helices? Answer: The separation between helices 1 and 2 varies from about 5 to 7 angstroms. The distance between helices 2 and 3 is relatively constant, about 7 angstroms. Helices 3 and 4 and helices 1 and 4 are separated by distances of about 8-10 angstroms. Complete the animation in View1. K3 View 2 Select View2 and repeat the animation. The different parts of the protein (helices, loops, and the iron-binding site) are controlled by the three master buttons. At the final step, {*ligands}, take a closer look at the iron-binding site. Myohemerythrin, an invertebrate oxygen-transport protein, contains two iron atoms to which oxygen binds. Turn on {pickcenter}, click on one of the iron atoms (the two pink dots), then enlarge the image using the ZOOM bar so that only the ligand side chains appear on the screen (or change to View3). Which helices offer a residue as a ligand to bind the iron atoms? What is the advantage of this arrangement? Histidine binds a metal atom with its ne2 atom, and aspartate and glutamate bind a metal atom with their od1 or od2 and oe1 or oe2 atoms, respectively (d and e refer to the delta and epsilon positions of the side chain atoms). How close are the various ligand atoms to the iron atoms? Measure the angles at which the metal atoms are bonded to the ligand atoms (click on a ligand atom, then on the metal, then on another ligand atom). Question: Are the metal ions in a tetrahedral conformation? Answer: Bond angles around 90 degrees are not consistent with a tetrahedral geometry. (A tetrahedron has angles of 109 degrees.) _________________________ KINEMAGE 4 Secondary structure of a beta strand K4 View 1 The kinemage begins with a single amino acid residue at the far left of the graphics window. Click on {ANIMATE} six times to see the extension of a single beta strand. How many amino acids are present in this strand? Measure the distance from the first alpha carbon to the last alpha carbon. (Both residues are marked with a G, since they are glycine residues and have no beta carbon.) Question: What is the distance per residue? Answer: 20.0 angstroms/6 residues, or 3.3 angstroms/residue. (Although seven residues are displayed, only six steps are required to reach the seventh residue.) How does the distance per residue in the beta strand compare to the rise per residue that you measured in the alpha helix in Kinemage 2? Measure the phi and psi angles for several residues in this beta strand. The phi angle is measured between c (residue n-1), n (n), ca (n), and c (n), and the psi angle is measured between n (residue n), ca (n), c (n), and n (n+1). Are all the phi angles of residues the same? What about the psi angles? A beta strand, like an alpha helix, is considered a repetitive structure because each residue has approximately the same phi and psi values. Question: What are the average phi and psi angles of a residue in this beta strand? (Don't measure the angles of the residues at the very ends of the strand; these angles are more variable than those of residues in the middle of the strand.) Answer: The average phi value is about -120 degrees, and the average psi value is about 130 degrees. How different are these values from those of the alpha helix? K4 View 2 Rotate the strand shown in View1 so that the carbonyl vectors, which were pointing directly up and down, now point directly at you (in and out of the plane of the screen). This can also be accomplished by changing to View2. What can you say about the orientations of the side chain ca-cb vectors? Go back to View1 and complete the animation. You will see a second beta strand hydrogen-bonded to the first. For the six amino acid residues of the second beta strand, how many hydrogen bonds are formed with the first strand? Which atoms are involved in the bonds? Are the hydrogen bonds evenly spaced? Question: Is the second strand parallel or antiparallel to the first strand? Answer: The second strand is antiparallel. Repeat the animation of the addition of the second beta strand. Note that the first amino acid residue of the second strand does not form any hydrogen bonds, the second amino acid residue forms two hydrogen bonds, the third does not form any hydrogen bonds, and so on. This arrangement allows the first and third residues to form hydrogen bonds with a third strand. The potential to hydrogen-bond with two neighboring strands results in the propensity of strands to line up and form beta sheets. Sheet formation is shown in more detail in the next kinemage. Examine the orientations of the side chain ca-cb vectors. Turn on {side chains} to see their preferred positions. Use the {phobic} and {philic} buttons to highlight the respective side chain types. (On a black-and-white monitor, turn off {all str 1} and {all str 2}, then toggle {phobic} and {philic} on and off.) Where do the hydrophobic residues lie relative to the hydrophilic residues? This structure suggests that a beta sheet, like an alpha helix, can have amphipathic character. _________________________ KINEMAGE 5 Tertiary structure of beta strands in a beta sheet K5 View 1 Initially, one beta strand is displayed. Animation of the image shows the addition of beta strands to form one of the beta sheets in the protein tenascin. (Tenascin is a large, multisubunit glycoprotein involved in cell adhesion.) There are four beta strands in the sheet. Click on the first and last residue of each new strand to reveal the residue numbers of the amino acids in that strand. How many residues are in each strand? Are the strands parallel or antiparallel? K5 View 2 Switch to View2 and study the beta sheet in more detail. Rotate the image or examine the other preset views under the VIEWS menu (View1 and View3). Question: Are the strands flat? Answer: Each strand is pleated, with carbonyl groups pointing alternately up and down. In addition, there is a twist to the entire sheet. _________________________ KINEMAGE 6 Beta sheets in a globular protein K6 View 1 The backbone of a single beta strand appears in the graphics window. Turn on {*strand 1} to display the alpha-carbon representation of this strand. Toggle {main chain} on and off to see how the alpha-carbon representation is a simplified representation of the complete main chain. Turn off {main chain} and begin the animation. The animation adds consecutive sections of the main chain of tenascin. The loops connecting beta strands are mostly irregular structures, displayed in yellow. The loops are controlled by the {loops} master button. Additional hydrogen bonds are formed as each new strand is added. There are blue markers at the N-termini and red markers at the C-termini of the strands. (If you have a black-and-white monitor, you can determine directionality by clicking on the atoms at the ends of the strands to reveal the residue numbers.) The seventh animation step, {*strand 4}, completes the formation of one beta sheet. The remaining animation steps build a second beta sheet (which actually comes earlier in the protein sequence). Check the residue numbers by clicking on the alpha carbons. Are all strands in the two sheets antiparallel? Note that loop 2 of sheet 1 contains a beta strand that is part of sheet 2. With {loops} off and both {sheet 1} and {sheet 2} on, study the two sheets in View1 or View3. Rotate the molecule until one sheet lies on top of the other. Are the sheets lying directly on top of one another or are they slightly angled relative to one another? Toggle {sheet 2} on and off to answer this question. K6 View 2 Rotate the image to look at the sheets edge-on (or select View2). The sheets are separated in space. Measure the separation between the backbones of the two sheets by selecting alpha carbons from two different strands. For instance, measure the distance between ca 832 from strand 1 and ca 824 from strand 6, or between ca 835 from strand 1 and ca 822 from strand 6. It may be helpful to decrease ZSLAB to reduce the depth of the image. Question: What is the approximate distance between the two sheets? Answer: The sheets are separated by about 8-12 angstroms. K6 View 3 Changing to View3 allows you to look down into the opening formed by the two sheets. Note how the two sheets twist around one another, nearly forming a barrel. This arrangement is more accurately described as a beta sandwich; the two sheets are the pieces of bread, with their side chains sandwiched in between. This folding motif is distinguished from a beta barrel by the absence of direct hydrogen bonds between the edges of the two different sheets of the sandwich. In a beta barrel, the edges of the two sheets are hydrogen bonded to form a complete, closed barrel. Turn on {loops} to see how the beta strands in the beta sandwich are connected. _________________________ The kinemages in this exercise were designed by Kim M. Gernert. Images of myohemerythrin are based on coordinates provided by S. Sheriff and W. A. Hendrickson (Brookhaven file 2MHR); images of tenascin are based on coordinates provided by D. J. Leahy, W. A. Hendrickson, I. Aukhil, and H. P. Erickson (Brookhaven file 1TEN). Reference Branden, C., and Tooze, J. (1991). Introduction to Protein Structure. (New York: Garland Publishing, Inc.) _________________________ @kinemage 1 @caption Amino acids and the formation of a peptide chain. Each amino acid has a carboxylate group, an amino group, and a side chain attached to the alpha carbon. Main chain carbon atoms are green, oxygens are red, nitrogens are blue, and beta carbons are orange. @onewidth @viewid {1 aa zoom} @span 5.424448 @zslab 300.0 @center 12.162 37.096 19.111 @matrix -0.4732 -0.131 -0.8712 0.4634 -0.878 -0.1196 -0.7492 -0.4603 0.4762 @2viewid {peptide} @2span 10.00 @2zslab 200 @2center 12.162 37.096 19.111 @2matrix -0.473176 -0.131026 -0.871169 0.463396 -0.878039 -0.119635 -0.749246 -0.460304 0.476184 @3viewid {view 3} @3span 15.00 @3zslab 200 @3center 13.352 36.859 20.016 @3matrix -0.753870 0.124105 -0.645196 -0.045752 -0.989531 -0.136881 -0.655430 -0.073670 0.751654 @4viewid {view 4} @4span 20.00 @4zslab 200 @4center 14.929 39.162 21.943 @4matrix -0.150537 -0.335172 -0.930052 -0.378154 -0.849705 0.367422 -0.913421 0.407014 0.001165 @group {1 aa} animate dominant @subgroup {main chain} nobutton @balllist {mc_o} color= red radius= .2 {o phe 17}P 13.453 35.716 20.465 {o2 phe 17}P 14.119 37.883 20.221 @balllist {mc_c} color= green radius= .2 {ca phe 17} 12.162 37.096 19.011 {c phe 17} 13.352 36.859 20.016 @balllist {mc_n} color= blue radius= .2 {n phe 17}P 12.399 38.141 18.079 @vectorlist {mc1} color= white nobutton master= {main chain} {n phe 17}P 12.399 38.141 18.079 {ca phe 17}12.162 37.096 19.111 {c phe 17}13.352 36.859 20.016 {o1 phe 17}13.453 35.716 20.465 @vectorlist {mcco1} color= white nobutton master= {main chain} {c phe 17}P 13.352 36.859 20.016 {o2 phe 17}14.119 37.883 20.221 @subgroup {R-group} nobutton @vectorlist {sc} color= white nobutton master= {ca - cb} {ca phe 17}P 12.162 37.096 19.111 {cb phe 17}11.603 35.791 18.58 @balllist {C-beta} color= green nobutton master= {ca - cb} {cb phe 17}P 11.603 35.791 18.58 @subgroup {hyd} nobutton @vectorlist {mc_hy} color= cyan nobutton master= {main chain H} {n phe 17}P 12.399 38.141 18.079 {h1 phe 17}13.11 37.916 17.03 {n phe 17}P 12.399 38.141 18.079 {h2 phe 17}11.955 39.009 18.291 {ca phe 17}P 12.162 37.096 19.111 {ha phe 17}11.319 37.419 19.738 @subgroup {sc_17} off nobutton master= {side chain} @vectorlist {sc_17} color= green off nobutton master= {side chain} {ca phe 17}P 12.162 37.096 19.111 {cb phe 17}11.603 35.791 18.58 {cg phe 17}10.258 36.02 17.965 {cd1 phe 17}10.148 36.16 16.568 {ce1 phe 17}8.919 36.45 15.958 {cz phe 17}7.767 36.544 16.743 {cg phe 17}P 10.258 36.02 17.965 {cd2 phe 17}9.113 36.172 18.718 {ce2 phe 17}7.85 36.388 18.141 {cz phe 17}7.767 36.544 16.743 @vectorlist {sc_hy_17} color= cyan nobutton off master= {side chain H} {cb phe 17}P 11.603 35.791 18.58 {1hb phe 17}12.288 35.407 17.876 {cb phe 17}P 11.603 35.791 18.58 {2hb phe 17}11.532 35.109 19.405 {cd1 phe 17}P 10.148 36.16 16.568 {hd1 phe 17}11.007 36.094 15.994 {cd2 phe 17}P 9.113 36.172 18.718 {hd2 phe 17}9.192 36.025 19.788 {ce1 phe 17}P 8.919 36.45 15.958 {he1 phe 17}8.859 36.537 14.918 {ce2 phe 17}P 7.85 36.388 18.141 {he2 phe 17}7.013 36.506 18.697 {cz phe 17}P 7.767 36.544 16.743 {hz phe 17}6.855 36.753 16.292 @group {2 aa} off animate dominant @subgroup {1_aa} nobutton @vectorlist {mc 1} instance= {mc1} @vectorlist {mcnh1} color= white nobutton master= {main chain} {c phe 17}P 13.352 36.859 20.016 {n tyr 18}14.119 37.883 20.221 @balllist {mc_ c} instance= {mc_c} @balllist {mc_ n} instance= {mc_n} @balllist {mc_ o} instance= {mc_o} @vectorlist {sc} instance= {sc} @vectorlist {sc_ c} instance= {sc_c} @vectorlist {mc_hy} instance= {mc_hy} @subgroup {sc_17} off nobutton master= {side chain} @vectorlist {sc_ 17} instance= {sc_17} off nobutton @vectorlist {sc_hy_ 17} instance= {sc_hy_17} off nobutton @subgroup {main chain} nobutton @vectorlist {mc2} color= white nobutton master= {main chain} {c phe 17}P 13.352 36.859 20.016 {n tyr 18}14.119 37.883 20.221 {ca tyr 18}15.268 37.893 21.153 {c tyr 18}14.929 39.162 21.943 {o1 tyr 18}15.058 40.225 21.32 @vectorlist {mcco2} color= white nobutton master= {main chain} {c tyr 18}P 14.929 39.162 21.943 {o2 tyr 18}14.448 39.026 23.165 @balllist {mc_c2} color= green radius= .2 nobutton master= {main chain} {ca tyr 18}P 15.268 37.893 21.153 {c tyr 18}P 14.929 39.162 21.943 @balllist {mc_n2} color= blue radius= .2 nobutton master= {main chain} {n tyr 18}P 14.119 37.883 20.221 @balllist {mc_o2} color= red radius= .2 nobutton master= {main chain} {o tyr 18}P 15.058 40.225 21.32 {o2 tyr 18}P 14.448 39.026 23.165 @subgroup {R-group} nobutton @vectorlist {sc2} color= white nobutton master= {ca - cb} {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 @balllist {sc_c2} color= green radius= .2 nobutton master= {ca - cb} {cb tyr 18}P 16.669 37.833 20.58 @subgroup {hyd} nobutton @vectorlist {mc_hy2} color= cyan nobutton master= {main chain H} {n tyr 18}P 14.119 37.883 20.221 {h tyr 18}13.99 38.771 19.752 {ca tyr 18}P 15.268 37.893 21.153 {ha tyr 18}15.127 37.062 21.838 @subgroup {sc 18} off nobutton master= {side chain} @vectorlist {sc_18} color= green nobutton off master= {side chain} {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 {cg tyr 18}16.916 36.489 19.886 {cd1 tyr 18}17.226 35.341 20.612 {ce1 tyr 18}17.431 34.144 19.92 {cz tyr 18}17.309 34.086 18.551 {oh tyr 18}17.446 32.933 17.844 {cg tyr 18}P 16.916 36.489 19.886 {cd2 tyr 18}16.767 36.405 18.51 {ce2 tyr 18}16.986 35.213 17.811 {cz tyr 18}17.309 34.086 18.551 @vectorlist {sc_o2} color= red off nobutton master= {side chain} {o tyr 18}P 17.446 32.933 17.844 {o tyr 18}17.446 32.933 17.844 {o tyr 18}P 17.346 32.933 17.844 {o tyr 18} 17.546 32.933 17.844 {o tyr 18}P 17.446 32.833 17.844 {o tyr 18} 17.446 33.033 17.844 {o tyr 18}P 17.446 32.933 17.744 {o tyr 18} 17.446 32.933 17.944 @vectorlist {sc_hy_18} color= cyan nobutton off master= {side chain H} {cb tyr 18}P 16.669 37.833 20.58 {1hb tyr 18}16.775 38.619 19.856 {cb tyr 18}P 16.669 37.833 20.58 {2hb tyr 18}17.392 37.98 21.366 {cd1 tyr 18}P 17.226 35.341 20.612 {hd1 tyr 18}17.356 35.383 21.665 {cd2 tyr 18}P 16.767 36.405 18.51 {hd2 tyr 18}16.516 37.313 17.929 {ce1 tyr 18}P 17.431 34.144 19.92 {he1 tyr 18}17.66 33.238 20.493 {ce2 tyr 18}P 16.986 35.213 17.811 {he2 tyr 18}16.868 35.164 16.746 {o tyr 18}P 17.446 32.933 17.844 {h tyr 18}17.787 32.195 18.444 @group {3 aa} off animate dominant @subgroup {1_aa} nobutton @vectorlist {mc 1} instance= {mc1} @vectorlist {mcnh1} color= white nobutton master= {main chain} {c phe 17}P 13.352 36.859 20.016 {n tyr 18}14.119 37.883 20.221 @balllist {mc_ c} instance= {mc_c} @balllist {mc_ n} instance= {mc_n} @balllist {mc_ o} instance= {mc_o} @vectorlist {sc} instance= {sc} @vectorlist {sc_ c} instance= {sc_c} @vectorlist {mc_hy} instance= {mc_hy} @subgroup {sc_17} off nobutton master= {side chain} @vectorlist {sc_ 17} instance= {sc_17} off nobutton @vectorlist {sc_hy_ 17} instance= {sc_hy_17} off nobutton @subgroup {2_aa} nobutton @vectorlist {mc 2} instance= {mc2} @vectorlist {mcnh2} color= white nobutton master= {main chain} {c tyr 18}P 14.929 39.162 21.943 {n glu 19}14.448 39.026 23.165 @balllist {mc_ c2} instance= {mc_c2} @balllist {mc_ n2} instance= {mc_n2} @balllist {mc_ o2} instance= {mc_o2} @vectorlist {sc 2} instance= {sc2} @vectorlist {sc_ c2} instance= {sc_c2} @vectorlist {sc_o2} color= red nobutton master= {side chain} @vectorlist {mc_hy 2} instance= {mc_hy2} @subgroup {sc_18} off nobutton master= {side chain} @vectorlist {sc_ 18} instance= {sc_18} off nobutton @vectorlist {sc_ o2} instance= {sc_o2} off nobutton @vectorlist {sc_hy_ 18} instance= {sc_hy_18} off nobutton @subgroup {main chain} nobutton @vectorlist {mc3} color= white nobutton master= {main chain} {c tyr 18}P 14.929 39.162 21.943 {n glu 19}14.448 39.026 23.165 {ca glu 19}14.002 40.175 23.908 {c glu 19}14.973 41.295 23.93 {o1 glu 19}14.51 42.448 23.614 @vectorlist {mc_co3} color= white nobutton master= {main chain} {c glu 19}P 14.973 41.295 23.93 {o2 glu 19}16.252 41.098 24.12 @balllist {mc_c3} color= green radius= .2 nobutton master= {main chain} {ca glu 19}P 14.002 40.175 23.908 {c glu 19}P 14.973 41.295 23.93 @balllist {mc_n3} color= blue radius= .2 nobutton master= {main chain} {n glu 19}P 14.448 39.026 23.165 @balllist {mc_o3} color= red radius= .2 nobutton master= {main chain} {o glu 19}P 14.51 42.448 23.614 {o2 glu 19}P 16.252 41.098 24.12 @subgroup {R-group} nobutton @vectorlist {sc3} color= white nobutton master= {ca - cb} {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 @balllist {sc_c3} color= green radius= .2 nobutton master= {ca - cb} {cb glu 19}P 13.514 39.813 25.326 @subgroup {hyd} nobutton @vectorlist {mc_hy3} color= cyan nobutton master= {main chain H} {n glu 19}P 14.448 39.026 23.165 {h glu 19}14.369 38.157 23.625 {ca glu 19}P 14.002 40.175 23.908 {ha glu 19}13.071 40.55 23.361 @subgroup {sc 19} off nobutton master= {side chain} @vectorlist {sc_19} color= green off nobutton master= {side chain} {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 {cg glu 19}12.594 40.93 25.878 {cd glu 19}11.477 41.387 24.962 {od1 glu 19}10.857 40.657 24.189 {cd glu 19}P 11.477 41.387 24.962 {od2 glu 19}11.284 42.617 25.079 @vectorlist {sc_o3} color= red off nobutton master= {side chain} {od1 glu 19}P 10.757 40.657 24.189 {od1 glu 19} 10.957 40.657 24.189 {od1 glu 19}P 10.857 40.557 24.189 {od1 glu 19} 10.857 40.757 24.189 {od1 glu 19}P 10.857 40.657 24.089 {od1 glu 19} 10.857 40.657 24.289 {od2 glu 19}P 11.184 42.617 25.079 {od2 glu 19} 11.384 42.617 25.079 {od2 glu 19}P 11.284 42.517 25.079 {od2 glu 19} 11.284 42.717 25.079 {od2 glu 19}P 11.284 42.617 24.979 {od2 glu 19} 11.284 42.617 25.179 @vectorlist {sc_hy_19} color= cyan nobutton off master= {side chain H} {cb glu 19}P 13.514 39.813 25.326 {1hb glu 19}12.932 38.921 25.27 {cb glu 19}P 13.514 39.813 25.326 {2hb glu 19}14.349 39.698 25.936 {cg glu 19}P 12.594 40.93 25.878 {1hg glu 19}12.14 40.663 26.816 {cg glu 19}P 12.594 40.93 25.878 {2hg glu 19}13.211 41.798 26.073 @group {4 aa} off animate dominant @subgroup {1_aa} nobutton @vectorlist {mc 1} instance= {mc1} @vectorlist {mcnh1} color= white nobutton master= {main chain} {c phe 17}P 13.352 36.859 20.016 {n tyr 18}14.119 37.883 20.221 @balllist {mc_ c} instance= {mc_c} @balllist {mc_ n} instance= {mc_n} @balllist {mc_ o} instance= {mc_o} @vectorlist {sc} instance= {sc} @vectorlist {sc_ c} instance= {sc_c} @vectorlist {mc_hy} instance= {mc_hy} @subgroup {sc_17} off nobutton master= {side chain} @vectorlist {sc_ 17} instance= {sc_17} off nobutton @vectorlist {sc_hy_ 17} instance= {sc_hy_17} off nobutton @subgroup {2_aa} nobutton @vectorlist {mc 2} instance= {mc2} @vectorlist {mcnh2} color= white nobutton master= {main chain} {c tyr 18}P 14.929 39.162 21.943 {n glu 19}P 14.448 39.026 23.165 @balllist {mc_ c2} instance= {mc_c2} @balllist {mc_ n2} instance= {mc_n2} @balllist {mc_ o2} instance= {mc_o2} @vectorlist {sc 2} instance= {sc2} @vectorlist {sc_ c2} instance= {sc_c2} @vectorlist {mc_hy 2} instance= {mc_hy2} @subgroup {sc_18} off nobutton master= {side chain} @vectorlist {sc_ 18} instance= {sc_18} off nobutton @vectorlist {sc_ o2} instance= {sc_o2} off nobutton @vectorlist {sc_hy_ 18} instance= {sc_hy_18} off nobutton @subgroup {3_aa} nobutton @vectorlist {mc 3} instance= {mc3} @vectorlist {mcnh3} color= white nobutton master= {main chain} {c glu 19}P 14.973 41.295 23.93 {n gln 20}16.252 41.098 24.12 @balllist {mc_ c3} instance= {mc_c3} @balllist {mc_ n3} instance= {mc_n3} @balllist {mc_ o3} instance= {mc_o3} @vectorlist {sc 3} instance= {sc3} @vectorlist {sc_ c3} instance= {sc_c3} @vectorlist {mc_hy 3} instance= {mc_hy3} @subgroup {sc_19} off nobutton master= {side chain} @vectorlist {sc_ 19} instance= {sc_19} off nobutton @vectorlist {sc_ o3} instance= {sc_o3} off nobutton @vectorlist {sc_hy_ 19} instance= {sc_hy_19} off nobutton @subgroup {main chain} nobutton @vectorlist {mc4} color= white nobutton master= {main chain} {c glu 19}P 14.973 41.295 23.93 {n gln 20}16.252 41.098 24.12 {ca gln 20}17.249 42.18 24.18 {c gln 20}17.475 42.88 22.845 {o1 gln 20}17.599 44.136 22.795 {c gln 20}P 17.475 42.88 22.845 {o2 gln 20}17.458 42.083 21.763 @balllist {mc_c4} color= green radius= .2 nobutton master= {main chain} {ca gln 20}P 17.249 42.18 24.18 {c gln 20}P 17.475 42.88 22.845 @balllist {mc_n4} color= blue radius= .2 nobutton master= {main chain} {n gln 20}P 16.252 41.098 24.12 @balllist {mc_o4} color= red radius= .2 nobutton master= {main chain} {o gln 20}P 17.599 44.136 22.795 {o2 gln 20}P 17.458 42.083 21.763 @subgroup {R-group} nobutton @vectorlist {sc4} color= white nobutton master= {ca - cb} {ca gln 20}P 17.249 42.18 24.18 {cb gln 20}18.529 41.645 24.791 @balllist {sc_c4} color= green radius= .2 nobutton master= {ca - cb} {cb gln 20}P 18.529 41.645 24.791 @subgroup {hyd4} nobutton @vectorlist {mc_hy4} color= cyan nobutton master= {main chain H} {n gln 20}P 16.252 41.098 24.12 {h gln 20}16.651 40.18 24.24 {ca gln 20}P 17.249 42.18 24.18 {ha gln 20}16.883 42.92 24.909 @subgroup {sc 20} off nobutton master= {side chain} @vectorlist {sc_20} color= green off nobutton master= {side chain} {ca gln 20}P 17.249 42.18 24.18 {cb gln 20}18.529 41.645 24.791 {cg gln 20}18.225 41.219 26.234 {cd gln 20}19.349 41.625 27.165 {od gln 20}20.422 40.997 27.194 {cd gln 20}P 19.349 41.625 27.165 {ne2 gln 20}19.106 42.717 27.904 @vectorlist {sc_n4} color= blue off nobutton master= {side chain} {ne2 gln 20}P 19.006 42.717 27.904 {ne2 gln 20} 19.206 42.717 27.904 {ne2 gln 20}P 19.106 42.617 27.904 {ne2 gln 20} 19.106 42.817 27.904 {ne2 gln 20}P 19.106 42.717 27.804 {ne2 gln 20} 19.106 42.717 28.004 @vectorlist {sc_o4} color= red off nobutton master= {side chain} {od gln 20}P 20.322 40.997 27.194 {od gln 20} 20.522 40.997 27.194 {od gln 20}P 20.422 40.897 27.194 {od gln 20} 20.422 41.097 27.194 {od gln 20}P 20.422 40.997 27.094 {od gln 20} 20.422 40.997 27.294 @vectorlist {sc_hy_20} color= cyan nobutton off master= {side chain H} {cb gln 20}P 18.529 41.645 24.791 {1hb gln 20}18.841 40.787 24.222 {cb gln 20}P 18.529 41.645 24.791 {2hb gln 20}19.282 42.405 24.787 {cg gln 20}P 18.225 41.219 26.234 {1hg gln 20}17.298 41.64 26.589 {cg gln 20}P 18.225 41.219 26.234 {2hg gln 20}18.153 40.15 26.291 {ne2 gln 20}P 19.106 42.717 27.904 {1he2 gln 20}18.212 43.156 27.89 {ne2 gln 20}P 19.106 42.717 27.904 {2he2 gln 20}19.781 43.015 28.581 @group {peptide 1} off @subgroup {bonds 1} @vectorlist {mc x} color= hotpink nobutton {o phe 17}P 13.453 35.716 20.465 {c phe 17}13.352 36.859 20.016 {n tyr 18}14.119 37.883 20.221 {h tyr 18}13.99 38.771 19.752 @subgroup {plane 1} @vectorlist {mc x} color= pinktint nobutton {ca phe 17}P 12.162 37.096 19.111 {o phe 17}13.453 35.716 20.465 {ca tyr 18}15.268 37.893 21.153 {h tyr 18}13.99 38.771 19.752 {ca phe 17}12.162 37.096 19.111 @group {peptide 2} off @subgroup {bonds 2} @vectorlist {mc y} color= hotpink nobutton {o tyr 18}P 15.058 40.225 21.32 {c tyr 18}14.929 39.162 21.943 {n glu 19}14.448 39.026 23.165 {h glu 19}14.369 38.157 23.625 @subgroup {plane 2} @vectorlist {mc y} color= pinktint nobutton {ca tyr 18}P 15.268 37.893 21.153 {o tyr 18}15.058 40.225 21.32 {ca glu 19}14.002 40.175 23.908 {h glu 19}14.369 38.157 23.625 {ca tyr 18}15.268 37.893 21.153 @group {peptide 3} off @subgroup {bonds 3} @vectorlist {mc z} color= hotpink nobutton {o glu 19}P 14.51 42.448 23.614 {c glu 19}14.973 41.295 23.93 {n gln 20}16.252 41.098 24.12 {h gln 20}16.651 40.18 24.24 @subgroup {plane 3} @vectorlist {mc z} color= pinktint nobutton {ca glu 19}P 14.002 40.175 23.908 {o glu 19}14.51 42.448 23.614 {ca gln 20}17.249 42.18 24.18 {h gln 20}16.651 40.18 24.24 {ca glu 19}14.002 40.175 23.908 @kinemage 2 @caption Secondary structure of a helix. The animation begins with a single amino acid. Amino acids are added to the chain one at a time to build two turns of an alpha helix. Four residues are added to complete the third turn. @onewidth @zoom 4.20 @zslab 200 @center 15.268 37.893 21.153 @matrix -0.374043 -0.444002 0.814220 -0.507368 0.832880 0.221099 -0.776317 -0.330410 -0.536806 @2zoom 2.28 @2zslab 200 @2center 15.486 41.446 21.822 @2matrix -0.303277 0.120408 0.945265 -0.130192 0.977445 -0.166277 -0.943967 -0.173495 -0.280760 @3zoom 1.26 @3zslab 200 @3center 16.298 47.375 19.034 @3matrix -0.694055 -0.160537 0.701795 -0.348153 0.928095 -0.132009 -0.630140 -0.335954 -0.700041 @4zoom 1.80 @4zslab 400 @4center 16.298 47.375 19.034 @4matrix -0.544803 -0.833794 -0.089316 -0.310113 0.101369 0.945278 -0.779114 0.542689 -0.313797 @group {1 aa} dominant animate @subgroup {main chain} @vectorlist {mc1} color= white {n tyr 18}P 14.119 37.883 20.221 {ca tyr 18}15.268 37.893 21.153 {c tyr 18}14.929 39.162 21.943 {o1 tyr 18}15.058 40.225 21.32 @vectorlist {o2} color= white {c tyr 18}P 14.929 39.162 21.943 {o2 tyr 18}14.448 39.026 23.165 @vectorlist {sc1} color= orange {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 @dotlist {nit1} color= blue {n tyr 18}14.119 37.883 20.221 @dotlist {oxy1} color= red {o1 tyr 18}15.058 40.225 21.32 @group {2aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc2} color= white {c tyr 18}P 14.929 39.162 21.943 {n glu 19}14.448 39.026 23.165 {ca glu 19}14.002 40.175 23.908 {c glu 19}14.973 41.295 23.93 {o1 glu 19}14.51 42.448 23.614 @vectorlist {o2} color= white {c glu 19}P 14.973 41.295 23.93 {o2 glu 19}16.252 41.098 24.12 @vectorlist {sc2} color= orange {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 @dotlist {nit2} color= blue {n tyr 18}14.119 37.883 20.221 {n glu 19}14.448 39.026 23.165 @dotlist {oxy2} color= red {o tyr 18}15.058 40.225 21.32 {o glu 19}14.51 42.448 23.614 @group {3aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc3} color= white {c glu 19}P 14.973 41.295 23.93 {n gln 20}16.252 41.098 24.12 {ca gln 20}17.249 42.18 24.18 {c gln 20}17.475 42.88 22.845 {o1 gln 20}17.599 44.136 22.795 @vectorlist {o2} color= white {c gln 20}P 17.475 42.88 22.845 {o2 gln 20}17.458 42.083 21.763 @vectorlist {sc3} color= orange {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 {ca gln 20}P 17.249 42.18 24.18 {cb gln 20}18.529 41.645 24.791 @dotlist {nit3} color= blue {n tyr 18}14.119 37.883 20.221 {n glu 19}14.448 39.026 23.165 {n gln 20}16.252 41.098 24.12 @dotlist {oxy3} color= red {o tyr 18}15.058 40.225 21.32 {o glu 19}14.51 42.448 23.614 {o gln 20}17.599 44.136 22.795 @group {4 aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc4} color= white {c gln 20}P 17.475 42.88 22.845 {n leu 21}17.458 42.083 21.763 {ca leu 21}17.621 42.673 20.436 {c leu 21}16.388 43.462 20.087 {o1 leu 21}16.544 44.527 19.464 @vectorlist {o2} color= white {c leu 21}P 16.388 43.462 20.087 {o2 leu 21} 15.192 43. 20.441 @vectorlist {sc4} color= orange {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 {ca gln 20}P 17.249 42.18 24.18 {cb gln 20}18.529 41.645 24.791 {ca leu 21}P 17.621 42.673 20.436 {cb leu 21}17.977 41.517 19.493 @dotlist {nit4} color= blue {n tyr 18}14.119 37.883 20.221 {n glu 19}14.448 39.026 23.165 {n gln 20}16.252 41.098 24.12 {n leu 21}17.458 42.083 21.763 @dotlist {oxy4} color= red {o tyr 18}15.058 40.225 21.32 {o glu 19}14.51 42.448 23.614 {o gln 20}17.599 44.136 22.795 {o leu 21}16.544 44.527 19.464 @group {1 turn} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc5} color= white {c leu 21}P 16.388 43.462 20.087 {n asp 22}15.192 43. 20.441 {ca asp 22}13.95 43.694 20.119 {c asp 22}13.925 45.04 20.822 {o1 asp 22}13.499 46.033 20.188 @vectorlist {o2} color= white {c asp 22}P 13.925 45.04 20.822 {o2 asp 22}14.35 45.011 22.056 @vectorlist {sc5} color= orange {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 {ca gln 20}P 17.249 42.18 24.18 {cb gln 20}18.529 41.645 24.791 {ca leu 21}P 17.621 42.673 20.436 {cb leu 21}17.977 41.517 19.493 {ca asp 22}P 13.95 43.694 20.119 {cb asp 22}12.686 42.884 20.396 @vectorlist {hbond} color= yellow <1.953>{asp 22 hn} P 15.144 42.14 20.949 {tyr 18 o} 15.084 40.799 21.209 @dotlist {nit5} color= blue {n tyr 18}14.119 37.883 20.221 {n glu 19}14.448 39.026 23.165 {n gln 20}16.252 41.098 24.12 {n leu 21}17.458 42.083 21.763 {n asp 22}15.192 43. 20.441 @dotlist {oxy5} color= red {o tyr 18}15.058 40.225 21.32 {o glu 19}14.51 42.448 23.614 {o gln 20}17.599 44.136 22.795 {o leu 21}16.544 44.527 19.464 {o asp 22}13.499 46.033 20.188 @group {6 aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc6} color= white {c asp 22}P 13.925 45.04 20.822 {n glu 23}14.35 45.011 22.056 {ca glu 23}14.385 46.329 22.835 {c glu 23}15.388 47.278 22.204 {o1 glu 23}15.088 48.484 22.131 @vectorlist {o2} color= white {c glu 23}P 15.388 47.278 22.204 {o2 glu 23}16.532 46.807 21.738 @vectorlist {sc6} color= orange {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 {ca gln 20}P 17.249 42.18 24.18 {cb gln 20}18.529 41.645 24.791 {ca leu 21}P 17.621 42.673 20.436 {cb leu 21}17.977 41.517 19.493 {ca asp 22}P 13.95 43.694 20.119 {cb asp 22}12.686 42.884 20.396 {ca glu 23}P 14.385 46.329 22.835 {cb glu 23}14.765 46.01 24.267 @vectorlist {hbond} color= yellow <1.953>{asp 22 hn} P 15.144 42.14 20.949 {tyr 18 o} 15.084 40.799 21.209 <2.058>{glu 23 hn} P 14.632 44.127 22.43 {glu 19 o} 14.547 42.952 23.259 @dotlist {nit6} color= blue {n tyr 18}14.119 37.883 20.221 {n glu 19}14.448 39.026 23.165 {n gln 20}16.252 41.098 24.12 {n leu 21}17.458 42.083 21.763 {n asp 22}15.192 43. 20.441 {n glu 23}14.35 45.011 22.056 @dotlist {oxy6} color= red {o tyr 18}15.058 40.225 21.32 {o glu 19}14.51 42.448 23.614 {o gln 20}17.599 44.136 22.795 {o leu 21}16.544 44.527 19.464 {o asp 22}13.499 46.033 20.188 {o glu 23}15.088 48.484 22.131 @group {7 aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc 6aa} instance= {mc6} color=greentint @vectorlist {mc7} color= white {c glu 23}P 15.388 47.278 22.204 {n glu 24}16.532 46.807 21.738 {ca glu 24}17.514 47.657 21.083 {c glu 24}16.981 48.222 19.803 {o1 glu 24}17.149 49.381 19.459 @vectorlist {o2} color= white {c glu 24}P 16.981 48.222 19.803 {o2 glu 24}16.298 47.375 19.034 @vectorlist {sc7} color= orange {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 {ca gln 20}P 17.249 42.18 24.18 {cb gln 20}18.529 41.645 24.791 {ca leu 21}P 17.621 42.673 20.436 {cb leu 21}17.977 41.517 19.493 {ca asp 22}P 13.95 43.694 20.119 {cb asp 22}12.686 42.884 20.396 {ca glu 23}P 14.385 46.329 22.835 {cb glu 23}14.765 46.01 24.267 {ca glu 24}P 17.514 47.657 21.083 {cb glu 24}18.812 46.914 20.872 @vectorlist {hbond} color= yellow <1.953>{asp 22 hn} P 15.144 42.14 20.949 {tyr 18 o} 15.084 40.799 21.209 <2.058>{glu 23 hn} P 14.632 44.127 22.43 {glu 19 o} 14.547 42.952 23.259 <2.132>{glu 24 hn} P 16.725 45.831 21.842 {gln 20 o} 17.337 44.645 22.509 @dotlist {nit7} color= blue {n tyr 18}14.119 37.883 20.221 {n glu 19}14.448 39.026 23.165 {n gln 20}16.252 41.098 24.12 {n leu 21}17.458 42.083 21.763 {n asp 22}15.192 43. 20.441 {n glu 23}14.35 45.011 22.056 {n glu 24}16.532 46.807 21.738 @dotlist {oxy7} color= red {o tyr 18}15.058 40.225 21.32 {o glu 19}14.51 42.448 23.614 {o gln 20}17.599 44.136 22.795 {o leu 21}16.544 44.527 19.464 {o asp 22}13.499 46.033 20.188 {o glu 23}15.088 48.484 22.131 {o glu 24}17.149 49.381 19.459 @group {8 aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc 6aa} instance= {mc6} color=greentint @vectorlist {mc 7aa} instance= {mc7} color=greentint @vectorlist {mc8} color= white {c glu 24}P 16.981 48.222 19.803 {n his 25}16.298 47.375 19.034 {ca his 25}15.632 47.806 17.783 {c his 25}14.58 48.864 18.035 {o1 his 25}14.539 49.882 17.327 @vectorlist {o2} color= white {c his 25}P 14.58 48.864 18.035 {o2 his 25}13.761 48.728 19.044 @vectorlist {sc8} color= orange {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 {ca gln 20}P 17.249 42.18 24.18 {cb gln 20}18.529 41.645 24.791 {ca leu 21}P 17.621 42.673 20.436 {cb leu 21}17.977 41.517 19.493 {ca asp 22}P 13.95 43.694 20.119 {cb asp 22}12.686 42.884 20.396 {ca glu 23}P 14.385 46.329 22.835 {cb glu 23}14.765 46.01 24.267 {ca glu 24}P 17.514 47.657 21.083 {cb glu 24}18.812 46.914 20.872 {ca his 25}P 15.632 47.806 17.783 {cb his 25}14.993 46.601 17.052 @vectorlist {hbond} color= yellow <1.953>{asp 22 hn} P 15.144 42.14 20.949 {tyr 18 o} 15.084 40.799 21.209 <2.058>{glu 23 hn} P 14.632 44.127 22.43 {glu 19 o} 14.547 42.952 23.259 <2.132>{glu 24 hn} P 16.725 45.831 21.842 {gln 20 o} 17.337 44.645 22.509 <1.921>{his 25 hn} P 16.241 46.419 19.322 {leu 21 o} 16.453 45.095 19.421 @dotlist {nit8} color= blue {n tyr 18}14.119 37.883 20.221 {n glu 19}14.448 39.026 23.165 {n gln 20}16.252 41.098 24.12 {n leu 21}17.458 42.083 21.763 {n asp 22}15.192 43. 20.441 {n glu 23}14.35 45.011 22.056 {n glu 24}16.532 46.807 21.738 {n his 25}16.298 47.375 19.034 @dotlist {oxy8} color= red {o tyr 18}15.058 40.225 21.32 {o glu 19}14.51 42.448 23.614 {o gln 20}17.599 44.136 22.795 {o leu 21}16.544 44.527 19.464 {o asp 22}13.499 46.033 20.188 {o glu 23}15.088 48.484 22.131 {o glu 24}17.149 49.381 19.459 {o his 25}14.539 49.882 17.327 @group {2 turns} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc 6aa} instance= {mc6} color=greentint @vectorlist {mc 7aa} instance= {mc7} color=greentint @vectorlist {mc 8aa} instance= {mc8} color=greentint @vectorlist {mc9} color= white {c his 25}P 14.58 48.864 18.035 {n lys 26}13.761 48.728 19.044 {ca lys 26}12.801 49.78 19.409 {c lys 26}13.489 51.101 19.729 {o1 lys 26}13.006 52.177 19.332 @vectorlist {o2} color= white {c lys 26}P 13.489 51.101 19.729 {o2 lys 26}14.616 51.057 20.412 @vectorlist {sc9} color= orange {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 {ca gln 20}P 17.249 42.18 24.18 {cb gln 20}18.529 41.645 24.791 {ca leu 21}P 17.621 42.673 20.436 {cb leu 21}17.977 41.517 19.493 {ca asp 22}P 13.95 43.694 20.119 {cb asp 22}12.686 42.884 20.396 {ca glu 23}P 14.385 46.329 22.835 {cb glu 23}14.765 46.01 24.267 {ca glu 24}P 17.514 47.657 21.083 {cb glu 24}18.812 46.914 20.872 {ca his 25}P 15.632 47.806 17.783 {cb his 25}14.993 46.601 17.052 {ca lys 26}P 12.801 49.78 19.409 {cb lys 26}11.976 49.35 20.613 @vectorlist {hbond9} color= yellow <1.953>{asp 22 hn} P 15.144 42.14 20.949 {tyr 18 o} 15.084 40.799 21.209 <2.058>{glu 23 hn} P 14.632 44.127 22.43 {glu 19 o} 14.547 42.952 23.259 <2.132>{glu 24 hn} P 16.725 45.831 21.842 {gln 20 o} 17.337 44.645 22.509 <1.921>{his 25 hn} P 16.241 46.419 19.322 {leu 21 o} 16.453 45.095 19.421 <1.970>{lys 26 hn} P 13.806 47.877 19.568 {asp 22 o} 13.591 46.586 20.002 @dotlist {nit9} color= blue {n tyr 18}14.119 37.883 20.221 {n glu 19}14.448 39.026 23.165 {n gln 20}16.252 41.098 24.12 {n leu 21}17.458 42.083 21.763 {n asp 22}15.192 43. 20.441 {n glu 23}14.35 45.011 22.056 {n glu 24}16.532 46.807 21.738 {n his 25}16.298 47.375 19.034 {n lys 26}13.761 48.728 19.044 @dotlist {oxy9} color= red {o tyr 18}15.058 40.225 21.32 {o glu 19}14.51 42.448 23.614 {o gln 20}17.599 44.136 22.795 {o leu 21}16.544 44.527 19.464 {o asp 22}13.499 46.033 20.188 {o glu 23}15.088 48.484 22.131 {o glu 24}17.149 49.381 19.459 {o his 25}14.539 49.882 17.327 {o lys 26}13.006 52.177 19.332 @group {3 turns} dominant animate @vectorlist {mc 1aa} instance= {mc1} @vectorlist {mc 2aa} instance= {mc2} @vectorlist {mc 3aa} instance= {mc3} @vectorlist {mc 4aa} instance= {mc4} @vectorlist {mc 5aa} instance= {mc5} @vectorlist {mc 6aa} instance= {mc6} @vectorlist {mc 7aa} instance= {mc7} @vectorlist {mc 8aa} instance= {mc8} @vectorlist {mc 9aa} instance= {mc9} @vectorlist {mc10-13} color= white {c lys 26}P 13.489 51.101 19.729 {n lys 27}14.616 51.057 20.412 {ca lys 27}15.337 52.284 20.719 {c lys 27}15.954 52.935 19.493 {o lys 27}16.145 54.179 19.5 {c lys 27}P 15.954 52.935 19.493 {n ile 28}16.343 52.17 18.49 {ca ile 28}16.935 52.789 17.285 {c ile 28}15.806 53.492 16.52 {o ile 28}15.968 54.624 15.98 {c ile 28}P 15.806 53.492 16.52 {n phe 29}14.631 52.845 16.44 {ca phe 29}13.454 53.538 15.793 {c phe 29}13.188 54.86 16.528 {o phe 29}13.018 55.895 15.892 {c phe 29}P 13.188 54.86 16.528 {n lys 30}13.164 54.755 17.858 {ca lys 30}12.917 55.997 18.673 {c lys 30}13.993 57.034 18.497 {o1 lys 30}13.715 58.215 18.454 {c lys 30}P 13.993 57.034 18.497 {o2 lys 30}15.225 56.57 18.322 @vectorlist {sc 1-9} instance= {sc9} @vectorlist {sc10-13} color= orange {ca lys 27}P 15.337 52.284 20.719 {cb lys 27}16.514 51.997 21.664 {ca ile 28}P 16.935 52.789 17.285 {cb ile 28}17.766 51.79 16.424 {ca phe 29}P 13.454 53.538 15.793 {cb phe 29}12.198 52.689 15.776 {ca lys 30}P 12.917 55.997 18.673 {cb lys 30}12.725 55.604 20.16 @vectorlist {hbond 1-9} instance= {hbond9} @vectorlist {hbond} color= yellow <2.206>{lys 27 hn} P 14.971 50.173 20.717 {glu 23 o} 15.053 48.991 21.707 <2.209>{ile 28 hn} P 16.23 51.179 18.563 {glu 24 o} 16.873 49.92 19.19 <2.102>{phe 29 hn} P 14.559 51.919 16.81 {his 25 o} 14.545 50.493 17.172 <2.008>{lys 30 hn} P 13.31 53.86 18.28 {lys 26 o} 13.097 52.682 19.016 @dotlist {nit 1-9} instance= {nit9} @dotlist {nit 10-13} color= blue {n lys 27}14.616 51.057 20.412 {n ile 28}16.343 52.17 18.49 {n phe 29}14.631 52.845 16.44 {n lys 30}13.164 54.755 17.858 @dotlist {oxy 1-9} instance= {oxy9} @dotlist {oxy 10-13} color= red {o lys 27}16.145 54.179 19.5 {o ile 28}15.968 54.624 15.98 {o phe 29}13.018 55.895 15.892 {o lys 30}13.715 58.215 18.454 @group {1 loop} dominant off @vectorlist {loop} color= red {c tyr 18}P 14.929 39.162 21.943 {o tyr 18}15.058 40.225 21.32 {c tyr 18}P 14.929 39.162 21.943 {n glu 19}14.448 39.026 23.165 {ca glu 19}14.002 40.175 23.908 {c glu 19}14.973 41.295 23.93 {c glu 19}P 14.973 41.295 23.93 {n gln 20}16.252 41.098 24.12 {ca gln 20}17.249 42.18 24.18 {c gln 20}17.475 42.88 22.845 {c gln 20}P 17.475 42.88 22.845 {n leu 21}17.458 42.083 21.763 {ca leu 21}17.621 42.673 20.436 {c leu 21}16.388 43.462 20.087 {c leu 21}P 16.388 43.462 20.087 {n asp 22}15.192 43. 20.441 {asp 22 hn} P 15.144 42.14 20.949 {tyr 18 o} 15.084 40.799 21.209 @group {2 loop} dominant off @vectorlist {loop} color= magenta {c asp 22}P 13.925 45.04 20.822 {o asp 22}13.499 46.033 20.188 {c asp 22}P 13.925 45.04 20.822 {n glu 23}14.35 45.011 22.056 {ca glu 23}14.385 46.329 22.835 {c glu 23}15.388 47.278 22.204 {c glu 23}P 15.388 47.278 22.204 {n glu 24}16.532 46.807 21.738 {ca glu 24}17.514 47.657 21.083 {c glu 24}16.981 48.222 19.803 {c glu 24}P 16.981 48.222 19.803 {n his 25}16.298 47.375 19.034 {ca his 25}15.632 47.806 17.783 {c his 25}14.58 48.864 18.035 {c his 25}P 14.58 48.864 18.035 {n lys 26}13.761 48.728 19.044 {lys 26 hn} P 13.806 47.877 19.568 {asp 22 o} 13.591 46.586 20.002 @group {3 loop} dominant off @vectorlist {loop} color= purple {c lys 26}P 13.489 51.101 19.729 {o lys 26}13.006 52.177 19.332 {c lys 26}P 13.489 51.101 19.729 {n lys 27}14.616 51.057 20.412 {ca lys 27}15.337 52.284 20.719 {c lys 27}15.954 52.935 19.493 {c lys 27}P 15.954 52.935 19.493 {n ile 28}16.343 52.17 18.49 {ca ile 28}16.935 52.789 17.285 {c ile 28}15.806 53.492 16.52 {c ile 28}P 15.806 53.492 16.52 {n phe 29}14.631 52.845 16.44 {ca phe 29}13.454 53.538 15.793 {c phe 29}13.188 54.86 16.528 {c phe 29}P 13.188 54.86 16.528 {n lys 30}13.164 54.755 17.858 {lys 30 hn} P 13.31 53.86 18.28 {lys 26 o} 13.097 52.682 19.016 @group {side chains} off @vectorlist {all sc} color= orange {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 {cg tyr 18}16.916 36.489 19.886 {cd1 tyr 18}17.226 35.341 20.612 {ce1 tyr 18}17.431 34.144 19.92 {cz tyr 18}17.309 34.086 18.551 {oh tyr 18}17.446 32.933 17.844 {cg tyr 18}P 16.916 36.489 19.886 {cd2 tyr 18}16.767 36.405 18.51 {ce2 tyr 18}16.986 35.213 17.811 {cz tyr 18}17.309 34.086 18.551 {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 {cg glu 19}12.594 40.93 25.878 {cd glu 19}11.477 41.387 24.962 {oe1 glu 19}10.857 40.657 24.189 {cd glu 19}P 11.477 41.387 24.962 {oe2 glu 19}11.284 42.617 25.079 {ca gln 20}P 17.249 42.18 24.18 {cb gln 20}18.529 41.645 24.791 {cg gln 20}18.225 41.219 26.234 {cd gln 20}19.349 41.625 27.165 {oe1 gln 20}20.422 40.997 27.194 {cd gln 20}P 19.349 41.625 27.165 {ne2 gln 20}19.106 42.717 27.904 {ca leu 21}P 17.621 42.673 20.436 {cb leu 21}17.977 41.517 19.493 {cg leu 21}19.272 40.795 19.827 {cd1 leu 21}19.547 39.781 18.724 {cg leu 21}P 19.272 40.795 19.827 {cd2 leu 21}20.423 41.813 19.856 {ca asp 22}P 13.95 43.694 20.119 {cb asp 22}12.686 42.884 20.396 {cg asp 22}12.442 41.77 19.388 {od1 asp 22}12.037 40.683 19.827 {cg asp 22}P 12.442 41.77 19.388 {od2 asp 22}12.645 42.02 18.208 {ca glu 23}P 14.385 46.329 22.835 {cb glu 23}14.765 46.01 24.267 {cg glu 23}13.579 45.373 25.112 {cd aglu 23}12.393 46.366 25.068 {oe1aglu 23}12.445 47.547 25.386 {cd aglu 23}P 12.393 46.366 25.068 {oe2aglu 23}11.325 45.874 24.668 {ca glu 24}P 17.514 47.657 21.083 {cb glu 24}18.812 46.914 20.872 {cg glu 24}19.556 46.768 22.218 {cd glu 24}20.643 45.735 22.136 {oe1 glu 24}21.317 45.413 23.096 {cd glu 24}P 20.643 45.735 22.136 {oe2 glu 24}20.869 45.165 21.045 {ca his 25}P 15.632 47.806 17.783 {cb his 25}14.993 46.601 17.052 {cg his 25}16.047 45.712 16.44 {nd1 his 25}15.73 44.447 15.974 {ce1 his 25}16.826 43.925 15.422 {ne2 his 25}17.861 44.737 15.527 {ne2 his 25}P 17.861 44.737 15.527 {ce1 his 25}16.826 43.925 15.422 {cg his 25}P 16.047 45.712 16.44 {cd2 his 25}17.347 45.9 16.155 {ne2 his 25}17.861 44.737 15.527 {ce1 his 25}16.826 43.925 15.422 {ca lys 26}P 12.801 49.78 19.409 {cb lys 26}11.976 49.35 20.613 {cg lys 26}11.168 48.075 20.371 {cd lys 26}10.236 47.824 21.546 {ce lys 26}9.44 46.554 21.459 {nz lys 26}8.633 46.353 22.705 {ca lys 27}P 15.337 52.284 20.719 {cb lys 27}16.514 51.997 21.664 {cg lys 27}16.038 51.641 23.075 {cd lys 27}17.272 51.545 23.998 {ce lys 27}16.755 51.455 25.441 {nz lys 27}17.861 51.24 26.427 {ca ile 28}P 16.935 52.789 17.285 {cb ile 28}17.766 51.79 16.424 {cg1 ile 28}18.931 51.106 17.171 {cd1 ile 28}19.491 49.897 16.337 {cb ile 28}P 17.766 51.79 16.424 {cg2 ile 28}18.389 52.526 15.174 {ca phe 29}P 13.454 53.538 15.793 {cb phe 29}12.198 52.689 15.776 {cg phe 29}12.023 51.733 14.596 {cd1 phe 29}11.349 52.197 13.447 {ce1 phe 29}11.185 51.28 12.368 {cz phe 29}11.682 50.017 12.47 {cg phe 29}P 12.023 51.733 14.596 {cd2 phe 29}12.52 50.442 14.692 {ce2 phe 29}12.392 49.564 13.606 {cz phe 29}11.682 50.017 12.47 {ca lys 30}P 12.917 55.997 18.673 {cb lys 30}12.725 55.604 20.16 {cg lys 30}12.578 56.88 21.061 {cd lys 30}11.686 56.57 22.22 {ce lys 30}11.356 57.669 23.177 {nz lys 30}12.567 58.504 23.472 @vectorlist {phobic} color= green off {ca tyr 18}P 15.268 37.893 21.153 {cb tyr 18}16.669 37.833 20.58 {cg tyr 18}16.916 36.489 19.886 {cd1 tyr 18}17.226 35.341 20.612 {ce1 tyr 18}17.431 34.144 19.92 {cz tyr 18}17.309 34.086 18.551 {oh tyr 18}17.446 32.933 17.844 {cg tyr 18}P 16.916 36.489 19.886 {cd2 tyr 18}16.767 36.405 18.51 {ce2 tyr 18}16.986 35.213 17.811 {cz tyr 18}17.309 34.086 18.551 {ca leu 21}P 17.621 42.673 20.436 {cb leu 21}17.977 41.517 19.493 {cg leu 21}19.272 40.795 19.827 {cd1 leu 21}19.547 39.781 18.724 {cg leu 21}P 19.272 40.795 19.827 {cd2 leu 21}20.423 41.813 19.856 {ca ile 28}P 16.935 52.789 17.285 {cb ile 28}17.766 51.79 16.424 {cg1 ile 28}18.931 51.106 17.171 {cd1 ile 28}19.491 49.897 16.337 {cb ile 28}P 17.766 51.79 16.424 {cg2 ile 28}18.389 52.526 15.174 {ca phe 29}P 13.454 53.538 15.793 {cb phe 29}12.198 52.689 15.776 {cg phe 29}12.023 51.733 14.596 {cd1 phe 29}11.349 52.197 13.447 {ce1 phe 29}11.185 51.28 12.368 {cz phe 29}11.682 50.017 12.47 {cg phe 29}P 12.023 51.733 14.596 {cd2 phe 29}12.52 50.442 14.692 {ce2 phe 29}12.392 49.564 13.606 {cz phe 29}11.682 50.017 12.47 @vectorlist {philic} color= blue off {ca glu 19}P 14.002 40.175 23.908 {cb glu 19}13.514 39.813 25.326 {cg glu 19}12.594 40.93 25.878 {cd glu 19}11.477 41.387 24.962 {oe1 glu 19}10.857 40.657 24.189 {cd glu 19}P 11.477 41.387 24.962 {oe2 glu 19}11.284 42.617 25.079 {ca gln 20}P 17.249 42.18 24.18 {cb gln 20}18.529 41.645 24.791 {cg gln 20}18.225 41.219 26.234 {cd gln 20}19.349 41.625 27.165 {oe1 gln 20}20.422 40.997 27.194 {cd gln 20}P 19.349 41.625 27.165 {ne2 gln 20}19.106 42.717 27.904 {ca asp 22}P 13.95 43.694 20.119 {cb asp 22}12.686 42.884 20.396 {cg asp 22}12.442 41.77 19.388 {od1 asp 22}12.037 40.683 19.827 {cg asp 22}P 12.442 41.77 19.388 {od2 asp 22}12.645 42.02 18.208 {ca glu 23}P 14.385 46.329 22.835 {cb glu 23}14.765 46.01 24.267 {cg glu 23}13.579 45.373 25.112 {cd aglu 23}12.393 46.366 25.068 {oe1aglu 23}12.445 47.547 25.386 {cd aglu 23}P 12.393 46.366 25.068 {oe2aglu 23}11.325 45.874 24.668 {ca lys 26}P 12.801 49.78 19.409 {cb lys 26}11.976 49.35 20.613 {cg lys 26}11.168 48.075 20.371 {cd lys 26}10.236 47.824 21.546 {ce lys 26}9.44 46.554 21.459 {nz lys 26}8.633 46.353 22.705 {ca lys 27}P 15.337 52.284 20.719 {cb lys 27}16.514 51.997 21.664 {cg lys 27}16.038 51.641 23.075 {cd lys 27}17.272 51.545 23.998 {ce lys 27}16.755 51.455 25.441 {nz lys 27}17.861 51.24 26.427 {ca lys 30}P 12.917 55.997 18.673 {cb lys 30}12.725 55.604 20.16 {cg lys 30}12.578 56.88 21.061 {cd lys 30}11.686 56.57 22.22 {ce lys 30}11.356 57.669 23.177 {nz lys 30}12.567 58.504 23.472 @vectorlist {ligands} color= pink off {ca glu 24}P 17.514 47.657 21.083 {cb glu 24}18.812 46.914 20.872 {cg glu 24}19.556 46.768 22.218 {cd glu 24}20.643 45.735 22.136 {oe1 glu 24}21.317 45.413 23.096 {cd glu 24}P 20.643 45.735 22.136 {oe2 glu 24}20.869 45.165 21.045 {ca his 25}P 15.632 47.806 17.783 {cb his 25}14.993 46.601 17.052 {cg his 25}16.047 45.712 16.44 {nd1 his 25}15.73 44.447 15.974 {ce1 his 25}16.826 43.925 15.422 {ne2 his 25}17.861 44.737 15.527 {ne2 his 25}P 17.861 44.737 15.527 {ce1 his 25}16.826 43.925 15.422 {cg his 25}P 16.047 45.712 16.44 {cd2 his 25}17.347 45.9 16.155 {ne2 his 25}17.861 44.737 15.527 {ce1 his 25}16.826 43.925 15.422 @group {C alphas} off @vectorlist {helix 1} color= green nobutton {ca tyr 18}P 15.268 37.893 21.153 {ca glu 19}14.002 40.175 23.908 {ca gln 20}17.249 42.18 24.18 {ca leu 21}17.621 42.673 20.436 {ca asp 22}13.95 43.694 20.119 {ca glu 23}14.385 46.329 22.835 {ca glu 24}17.514 47.657 21.083 {ca his 25}15.632 47.806 17.783 {ca lys 26}12.801 49.78 19.409 {ca lys 27}15.337 52.284 20.719 {ca ile 28}16.935 52.789 17.285 {ca phe 29}13.454 53.538 15.793 {ca lys 30}12.917 55.997 18.673 @vectorlist {helix 1} color= blue nobutton {ca tyr 18}P 15.268 37.893 21.153 {ca glu 19}14.002 40.175 23.908 @vectorlist {helix 1} color= red nobutton {ca phe 29}P 13.454 53.538 15.793 {ca lys 30}12.917 55.997 18.673 @kinemage 3 @caption Tertiary structure of helices in a globular protein. This protein consists of a bundle of four helices connected by irregular loops (yellow) and centered around an iron-binding site (with the iron in magenta and the ligand side chains in orange). @onewidth @zoom 1.00 @zslab 200 @center 17.633 49.933 11.746 @matrix 1.000000 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000 1.000000 @2zoom 1.50 @2zslab 500 @2center 18.747 43.678 12.996 @2matrix 0.988561 0.132495 -0.072057 0.078054 -0.040635 0.996121 0.129053 -0.990350 -0.050513 @3zoom 3.75 @3zslab 160 @3center 21.193 45.019 13.358 @3matrix 0.996736 0.067786 -0.043851 0.048008 -0.060958 0.996985 0.064909 -0.995836 -0.064013 @group {helix 1} @vectorlist {main chain} color= white {n tyr 18}P 14.119 37.883 20.221 {ca tyr 18}15.268 37.893 21.153 {c tyr 18}14.929 39.162 21.943 {o tyr 18}15.058 40.225 21.32 {c tyr 18}P 14.929 39.162 21.943 {n glu 19}14.448 39.026 23.165 {ca glu 19}14.002 40.175 23.908 {c glu 19}14.973 41.295 23.93 {o glu 19}14.51 42.448 23.614 {c glu 19}P 14.973 41.295 23.93 {n gln 20}16.252 41.098 24.12 {ca gln 20}17.249 42.18 24.18 {c gln 20}17.475 42.88 22.845 {o gln 20}17.599 44.136 22.795 {c gln 20}P 17.475 42.88 22.845 {n leu 21}17.458 42.083 21.763 {ca leu 21}17.621 42.673 20.436 {c leu 21}16.388 43.462 20.087 {o leu 21}16.544 44.527 19.464 {c leu 21}P 16.388 43.462 20.087 {n asp 22}15.192 43. 20.441 {ca asp 22}13.95 43.694 20.119 {c asp 22}13.925 45.04 20.822 {o asp 22}13.499 46.033 20.188 {c asp 22}P 13.925 45.04 20.822 {n glu 23}14.35 45.011 22.056 {ca glu 23}14.385 46.329 22.835 {c glu 23}15.388 47.278 22.204 {o glu 23}15.088 48.484 22.131 {c glu 23}P 15.388 47.278 22.204 {n glu 24}16.532 46.807 21.738 {ca glu 24}17.514 47.657 21.083 {c glu 24}16.981 48.222 19.803 {o glu 24}17.149 49.381 19.459 {c glu 24}P 16.981 48.222 19.803 {n his 25}16.298 47.375 19.034 {ca his 25}15.632 47.806 17.783 {c his 25}14.58 48.864 18.035 {o his 25}14.539 49.882 17.327 {c his 25}P 14.58 48.864 18.035 {n lys 26}13.761 48.728 19.044 {ca lys 26}12.801 49.78 19.409 {c lys 26}13.489 51.101 19.729 {o lys 26}13.006 52.177 19.332 {c lys 26}P 13.489 51.101 19.729 {n lys 27}14.616 51.057 20.412 {ca lys 27}15.337 52.284 20.719 {c lys 27}15.954 52.935 19.493 {o lys 27}16.145 54.179 19.5 {c lys 27}P 15.954 52.935 19.493 {n ile 28}16.343 52.17 18.49 {ca ile 28}16.935 52.789 17.285 {c ile 28}15.806 53.492 16.52 {o ile 28}15.968 54.624 15.98 {c ile 28}P 15.806 53.492 16.52 {n phe 29}14.631 52.845 16.44 {ca phe 29}13.454 53.538 15.793 {c phe 29}13.188 54.86 16.528 {o phe 29}13.018 55.895 15.892 {c phe 29}P 13.188 54.86 16.528 {n lys 30}13.164 54.755 17.858 {ca lys 30}12.917 55.997 18.673 {c lys 30}13.993 57.034 18.497 {o lys 30}13.715 58.215 18.454 {c lys 30}P 13.993 57.034 18.497 {n gly 31}15.225 56.57 18.322 {ca gly 31}16.363 57.464 18.087 {c gly 31}16.153 58.306 16.84 {o gly 31}16.363 59.522 16.808 {c gly 31}P 16.153 58.306 16.84 {n ile 32}15.729 57.666 15.769 {ca ile 32}15.447 58.309 14.484 {c ile 32}14.196 59.153 14.625 {o ile 32}14.21 60.321 14.17 {c ile 32}P 14.196 59.153 14.625 {n phe 33}13.141 58.666 15.23 {ca phe 33}11.905 59.478 15.438 {c phe 33}12.212 60.778 16.194 {o phe 33}11.641 61.844 15.971 {c phe 33}P 12.212 60.778 16.194 {n asp 34}13.111 60.739 17.161 {ca asp 34}13.467 61.944 17.964 {c asp 34}14.253 62.914 17.124 {o asp 34}13.995 64.111 17.321 {c asp 34}P 14.253 62.914 17.124 {n cys 35}15.126 62.431 16.269 {ca cys 35}15.877 63.348 15.369 {c cys 35}14.944 64.01 14.341 {o cys 35}15.245 65.158 13.918 {c cys 35}P 14.944 64.01 14.341 {n ile 36}13.862 63.296 14.012 {ca ile 36}12.828 63.814 13.117 {c ile 36}12.086 64.984 13.792 {o ile 36}11.891 66.076 13.166 {c ile 36}P 12.086 64.984 13.792 {n arg 37}11.689 64.781 15.017 {ca arg 37}10.977 65.763 15.841 {c arg 37}11.838 66.948 16.273 {o arg 37}11.31 68.057 16.398 {c arg 37}P 11.838 66.948 16.273 {n asp 38}13.079 66.746 16.595 {ca asp 38}14.05 67.737 17.13 {c asp 38}15.451 67.324 16.667 {o asp 38}16.149 66.5 17.237 {c asp 38}P 15.451 67.324 16.667 {n asn 39}15.797 67.958 15.555 @group {helix 1} dominant off animate @vectorlist {helix1} color= green master= {helices} {ca tyr 18}P 15.268 37.893 21.153 {ca glu 19}14.002 40.175 23.908 {ca gln 20}17.249 42.18 24.18 {ca leu 21}17.621 42.673 20.436 {ca asp 22}13.95 43.694 20.119 {ca glu 23}14.385 46.329 22.835 {ca glu 24}17.514 47.657 21.083 {ca his 25}15.632 47.806 17.783 {ca lys 26}12.801 49.78 19.409 {ca lys 27}15.337 52.284 20.719 {ca ile 28}16.935 52.789 17.285 {ca phe 29}13.454 53.538 15.793 {ca lys 30}12.917 55.997 18.673 {ca gly 31}16.363 57.464 18.087 {ca ile 32}15.447 58.309 14.484 {ca phe 33}11.905 59.478 15.438 {ca asp 34}13.467 61.944 17.964 {ca cys 35}15.877 63.348 15.369 {ca ile 36}12.828 63.814 13.117 {ca arg 37}10.977 65.763 15.841 {ca asp 38}14.05 67.737 17.13 @vectorlist {ncap1} color= blue master= {helices} {ca tyr 18}P 15.268 37.893 21.153 {ca glu 19}14.002 40.175 23.908 @vectorlist {ccap1} color= red master= {helices} {ca arg 37}10.977 65.763 15.841 {ca asp 38}14.05 67.737 17.13 @group {loop 1} dominant animate @vectorlist {hlx1} instance= {helix1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {loop1} color= yellow master= {loops} {ca asp 38}P 14.05 67.737 17.13 {ca asn 39}17.035 67.676 14.787 {ca ser 40}19.619 68.422 17.446 @group {helix 2} dominant animate @vectorlist {hlx1} instance= {helix1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {helix2} color= green master= {helices} {ca ser 40}P 19.619 68.422 17.446 {ca ala 41}23.207 67.507 18.282 {ca pro 42}22.146 65.594 21.434 {ca asn 43}19.531 63.505 19.544 {ca leu 44}22.003 62.587 16.767 {ca ala 45}24.62 61.598 19.4 {ca thr 46}22.05 59.399 21.148 {ca leu 47}21.243 57.731 17.844 {ca val 48}24.958 57.022 17.312 {ca lys 49}25.3 55.648 20.849 {ca val 50}22.296 53.287 20.818 {ca thr 51}23.217 51.982 17.333 {ca thr 52}26.835 51.326 18.373 {ca asn 53}25.658 49.433 21.466 {ca his 54}23.175 47.429 19.4 {ca phe 55}25.74 46.353 16.774 {ca thr 56}28.177 45.25 19.49 {ca his 57}25.468 43.199 21.172 {ca glu 58}23.988 41.648 18.004 {ca glu 59}27.439 40.694 16.669 {ca ala 60}28.388 39.177 20.073 {ca met 61}25.275 36.985 19.836 {ca met 62}25.963 36.003 16.205 {ca asp 63}29.558 35.063 17.177 {ca ala 64}28.545 33.09 20.198 {ca ala 65}26.06 31.042 18.083 {ca lys 66}28.651 30.439 15.364 @vectorlist {ncap2} color= blue master= {helices} {ca ser 40}P 19.619 68.422 17.446 {ca ala 41}23.207 67.507 18.282 @vectorlist {ccap2} color= red master= {helices} {ca ala 65}P 26.06 31.042 18.083 {ca lys 66}28.651 30.439 15.364 @group {loop 2} dominant animate @vectorlist {hlx1} instance= {helix1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {hlx2} instance= {helix2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {loop2} color= yellow master= {loops} {ca lys 66}P 28.651 30.439 15.364 {ca tyr 67}26.018 31.988 13.028 {ca ser 68}27.179 31.354 9.446 {ca glu 69}26.407 34.718 7.903 @group {helix 3} dominant animate @vectorlist {hlx1} instance= {helix1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {hlx2} instance= {helix2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {helix3} color= green master= {helices} {ca glu 69}P 26.407 34.718 7.903 {ca val 70}28.056 37.054 10.309 {ca val 71}30.686 38.433 7.828 {ca pro 72}28.381 40.081 5.265 {ca his 73}26.265 41.251 8.29 {ca lys 74}29.085 42.899 10.235 {ca lys 75}30.047 44.688 7.007 {ca met 76}26.649 46.279 6.692 {ca his 77}26.756 47.376 10.36 {ca lys 78}30.246 48.871 9.985 {ca asp 79}29.164 50.85 6.907 {ca phe 80}26.08 52.285 8.651 {ca leu 81}28.21 53.342 11.697 {ca glu 82}30.693 55.001 9.355 {ca lys 83}27.843 56.975 7.786 {ca ile 84}25.951 58.215 10.897 {ca gly 85}29.297 58.688 12.68 {ca gly 86}30.047 61.363 10.131 {ca leu 87}26.779 63.363 10.234 {ca ser 88}26.296 66.623 12.066 @vectorlist {ncap3} color= blue master= {helices} {ca glu 69}P 26.407 34.718 7.903 {ca val 70}28.056 37.054 10.309 @vectorlist {ccap3} color= red master= {helices} {ca leu 87}P 26.779 63.363 10.234 {ca ser 88}26.296 66.623 12.066 @group {loop 3} dominant animate @vectorlist {hlx1} instance= {helix1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {hlx2} instance= {helix2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {hlx3} instance= {helix3} @vectorlist {nc3} instance= {ncap3} @vectorlist {cc3} instance= {ccap3} @vectorlist {loop3} color= yellow master= {loops} {ca ser 88}P 26.296 66.623 12.066 {ca ala 89}23.041 68.219 13.28 {ca pro 90}20.78 69.427 11.752 {ca val 91}20.889 66.29 9.671 {ca asp 92}19.805 67.069 6.12 @group {helix 4} dominant animate @vectorlist {hlx1} instance= {helix1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {hlx2} instance= {helix2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {hlx3} instance= {helix3} @vectorlist {nc3} instance= {ncap3} @vectorlist {cc3} instance= {ccap3} @vectorlist {lp3} instance= {loop3} @vectorlist {helix4} color= green master= {helices} {ca asp 92}P 19.805 67.069 6.12 {ca ala 93}16.494 65.702 4.897 {ca lys 94}18.108 63.233 2.439 {ca asn 95}20.164 61.575 5.203 {ca val 96}17.184 61.349 7.621 {ca asp 97}15.357 59.516 4.818 {ca tyr 98}18.399 57.31 4.225 {ca cys 99}18.402 56.371 7.93 {ca lys 100}14.672 55.668 7.999 {ca glu 101}14.941 53.356 5.036 {ca trp 102}18.26 51.761 6.087 {ca leu 103}16.927 50.503 9.449 {ca val 104}13.737 49.077 7.955 {ca asn 105}15.65 47.184 5.249 {ca his 106}18.446 46.099 7.606 {ca ile 107}16.049 44.505 10.048 {ca lys 108}13.667 42.745 7.645 {ca gly 109}16.297 41.852 5.039 {ca thr 110}19.304 40.877 7.213 @vectorlist {ncap4} color= blue master= {helices} {ca asp 92}P 19.805 67.069 6.12 {ca ala 93}16.494 65.702 4.897 @vectorlist {ccap4} color= red master= {helices} {ca gly 109}P 16.297 41.852 5.039 {ca thr 110}19.304 40.877 7.213 @group {other loops} dominant animate @vectorlist {hlx1} instance= {helix1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {hlx2} instance= {helix2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {hlx3} instance= {helix3} @vectorlist {nc3} instance= {ncap3} @vectorlist {cc3} instance= {ccap3} @vectorlist {lp3} instance= {loop3} @vectorlist {hlx4} instance= {helix4} @vectorlist {nc4} instance= {ncap4} @vectorlist {cc4} instance= {ccap4} @vectorlist {others} color= yellow master= {loops} {ca gly 1}P 11.628 47.621 -0.689 {ca trp 2}9.975 47.275 2.747 {ca glu 3}7.316 49.777 3.826 {ca ile 4}8.503 52.661 6.001 {ca pro 5}6.222 53.175 8.99 {ca glu 6}4.573 56.526 9.415 {ca pro 7}4.866 57.627 12.233 {ca tyr 8}8.291 56.107 12.446 {ca val 9}7.781 53.598 15.25 {ca trp 10}8.717 49.949 15.754 {ca asp 11}5.91 47.411 15.382 {ca glu 12}5.579 43.645 15.945 {ca ser 13}6.201 42.974 12.228 {ca phe 14}9.818 43.815 13.082 {ca arg 15}10.144 41.26 15.925 {ca val 16}13.202 39.003 15.928 {ca phe 17}12.162 37.096 19.111 {ca tyr 18}15.268 37.893 21.153 {ca thr 110}P 19.304 40.877 7.213 {ca asp 111}18.555 40.618 10.946 {ca phe 112}15.569 38.416 9.996 {ca lys 113}17.972 35.777 8.74 {ca tyr 114}19.172 35.019 12.296 {ca lys 115}15.664 34.366 13.686 {ca gly 116}15.851 30.988 15.531 {ca lys 117}19.608 30.691 14.829 {ca leu 118}21.088 32.493 17.865 @group {ligands} animate dominant @vectorlist {hlx1} instance= {helix1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {hlx2} instance= {helix2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {hlx3} instance= {helix3} @vectorlist {nc3} instance= {ncap3} @vectorlist {cc3} instance= {ccap3} @vectorlist {lp3} instance= {loop3} @vectorlist {hlx4} instance= {helix4} @vectorlist {nc4} instance= {ncap4} @vectorlist {cc4} instance= {ccap4} @vectorlist {lp4} instance= {others} @vectorlist {ligand sc} color= orange master= {ligands} {ca his 25}P 15.632 47.806 17.783 {cb his 25}14.993 46.601 17.052 {cg his 25}16.047 45.712 16.44 {nd1 his 25}15.73 44.447 15.974 {ce1 his 25}16.826 43.925 15.422 {ne2 his 25}17.861 44.737 15.527 {ne2 his 25}P 17.861 44.737 15.527 {ce1 his 25}16.826 43.925 15.422 {cg his 25}P 16.047 45.712 16.44 {cd2 his 25}17.347 45.9 16.155 {ne2 his 25}17.861 44.737 15.527 {ce1 his 25}16.826 43.925 15.422 {ca his 54}P 23.175 47.429 19.4 {cb his 54}21.983 47.989 18.572 {cg his 54}21.265 46.887 17.819 {nd1 his 54}20.698 45.751 18.348 {ce1 his 54}20.298 45.018 17.329 {ne2 his 54}20.584 45.642 16.16 {ne2 his 54}P 20.584 45.642 16.16 {ce1 his 54}20.298 45.018 17.329 {cg his 54}P 21.265 46.887 17.819 {cd2 his 54}21.189 46.818 16.446 {ne2 his 54}20.584 45.642 16.16 {ce1 his 54}20.298 45.018 17.329 {ca glu 58}P 23.988 41.648 18.004 {cb glu 58}23.264 42.427 16.939 {cg glu 58}22.211 41.654 16.116 {cd glu 58}21.602 42.5 15.036 {oe1 glu 58}22.331 42.672 14.026 {cd glu 58}P 21.602 42.5 15.036 {oe2 glu 58}20.454 42.979 15.111 {ca his 73}P 26.265 41.251 8.29 {cb his 73}25.638 40.288 9.332 {cg his 73}24.478 40.851 10.088 {nd1 his 73}23.387 40.106 10.442 {ce1 his 73}22.533 40.859 11.101 {ne2 his 73}23.011 42.115 11.206 {ne2 his 73}P 23.011 42.115 11.206 {ce1 his 73}22.533 40.859 11.101 {cg his 73}P 24.478 40.851 10.088 {cd2 his 73}24.227 42.096 10.595 {ne2 his 73}23.011 42.115 11.206 {ce1 his 73}22.533 40.859 11.101 {ca his 77}P 26.756 47.376 10.36 {cb his 77}26.988 46.483 11.571 {cg his 77}25.852 45.625 12.037 {nd1 his 77}26.028 44.704 13.058 {ce1 his 77}24.897 44.085 13.316 {ne2 his 77}23.98 44.599 12.48 {ne2 his 77}P 23.98 44.599 12.48 {ce1 his 77}24.897 44.085 13.316 {cg his 77}P 25.852 45.625 12.037 {cd2 his 77}24.558 45.524 11.647 {ne2 his 77}23.98 44.599 12.48 {ce1 his 77}24.897 44.085 13.316 {ca his 106}P 18.446 46.099 7.606 {cb his 106}19.417 46.935 8.464 {cg his 106}20.448 46.057 9.094 {nd1 his 106}21.48 45.418 8.462 {ce1 his 106}22.19 44.693 9.318 {ne2 his 106}21.612 44.812 10.51 {ne2 his 106}P 21.612 44.812 10.51 {ce1 his 106}22.19 44.693 9.318 {cg his 106}P 20.448 46.057 9.094 {cd2 his 106}20.501 45.636 10.372 {ne2 his 106}21.612 44.812 10.51 {ce1 his 106}22.19 44.693 9.318 {ca asp 111}P 18.555 40.618 10.946 {cb asp 111}18.084 41.702 11.907 {cg asp 111}19.132 42.711 12.275 {od1 asp 111}20.313 42.633 11.991 {cg asp 111}P 19.132 42.711 12.275 {od2 asp 111}18.747 43.678 12.996 @vectorlist {iron} color= hotpink master= {ligands} {fe1}P 21.931 43.794 12.338 {fe1}22.031 43.794 12.338 {fe1} 22.131 43.794 12.338 {fe1}P 22.031 43.694 12.338 {fe1} 22.031 43.894 12.338 {fe1}P 22.031 43.794 12.238 {fe1} 22.031 43.794 12.438 {fe2}P 19.632 44.88 14.337 {fe2}19.732 44.88 14.337 {fe2} 19.832 44.88 14.337 {fe2}P 19.732 44.78 14.337 {fe2} 19.732 44.98 14.337 {fe2}P 19.732 44.88 14.237 {fe2} 19.732 44.88 14.437 @kinemage 4 @caption Secondary structure of a beta strand. The backbone is white or light green, the carbonyl oxygens are red, the amide nitrogens are blue, and the hydrogen bonds are highlighted in yellow. @onewidth @zoom 1.00 @zslab 200 @center 28.277 51.910 5.565 @matrix -0.624481 0.237807 0.743956 0.717789 -0.200757 0.666689 0.307899 0.950339 -0.045327 @2zoom 1.00 @2zslab 200 @2center 28.491 51.478 6.693 @2matrix -0.560524 0.818957 -0.122973 0.802876 0.573798 0.161697 0.202985 -0.008097 -0.979149 @group {1 aa} dominant animate @subgroup {main chain} @vectorlist {mc1} color= white {c asp 831}P 35.267 41.137 1.808 {n gly 832}34.564 41.653 2.811 {ca gly 832}34.556 43.073 3.065 {c gly 832}33.848 43.426 4.362 {o gly 832}33.495 42.554 5.171 {c gly 832}P 33.848 43.426 4.362 {n ile 833}33.625 44.736 4.469 @labellist {sc1} color= orange { G} P 34.556 43.073 3.065 @dotlist {nit1} color= blue {n gly 832}34.564 41.653 2.811 @dotlist {oxy1} color= red {o gly 832}33.495 42.554 5.171 @group {2aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc2} color= white {c gly 832}P 33.848 43.426 4.362 {n ile 833}33.625 44.736 4.469 {ca ile 833}33.006 45.395 5.604 {c ile 833}31.911 46.302 5.064 {o ile 833}32.144 46.992 4.073 {c ile 833}P 31.911 46.302 5.064 {n glu 834}30.73 46.331 5.644 @labellist {sc1} color= orange { G} P 34.556 43.073 3.065 @vectorlist {sc2} color= orange {ca ile 833}P 33.006 45.395 5.604 {cb ile 833}34.098 46.287 6.293 @dotlist {nit2} color= blue {n gly 832}34.564 41.653 2.811 {n ile 833}33.625 44.736 4.469 @dotlist {oxy2} color= red {o gly 832}33.495 42.554 5.171 {o ile 833}32.144 46.992 4.073 @group {3aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc3} color= white {c ile 833}P 31.911 46.302 5.064 {n glu 834}30.73 46.331 5.644 {ca glu 834}29.693 47.252 5.225 {c glu 834}29.656 48.312 6.334 {o glu 834}29.608 47.975 7.53 {c glu 834}P 29.656 48.312 6.334 {n leu 835}29.801 49.584 5.964 @labellist {sc1} color= orange { G} P 34.556 43.073 3.065 @vectorlist {sc3} color= orange {ca ile 833}P 33.006 45.395 5.604 {cb ile 833}34.098 46.287 6.293 {ca glu 834}P 29.693 47.252 5.225 {cb glu 834}28.356 46.573 5.153 @dotlist {nit3} color= blue {n gly 832}34.564 41.653 2.811 {n ile 833}33.625 44.736 4.469 {n glu 834}30.73 46.331 5.644 @dotlist {oxy3} color= red {o gly 832}33.495 42.554 5.171 {o ile 833}32.144 46.992 4.073 {o glu 834}29.608 47.975 7.53 @group {4 aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc4} color= white {c glu 834}P 29.656 48.312 6.334 {n leu 835}29.801 49.584 5.964 {ca leu 835}29.762 50.672 6.915 {c leu 835}28.491 51.478 6.693 {o leu 835}28.277 51.91 5.565 {c leu 835}P 28.491 51.478 6.693 {n thr 836}27.614 51.697 7.678 @labellist {sc1} color= orange { G} P 34.556 43.073 3.065 @vectorlist {sc4} color= orange {ca ile 833}P 33.006 45.395 5.604 {cb ile 833}34.098 46.287 6.293 {ca glu 834}P 29.693 47.252 5.225 {cb glu 834}28.356 46.573 5.153 {ca leu 835}P 29.762 50.672 6.915 {cb leu 835}30.998 51.553 6.746 @dotlist {nit4} color= blue {n gly 832}34.564 41.653 2.811 {n ile 833}33.625 44.736 4.469 {n glu 834}30.73 46.331 5.644 {n leu 835}29.801 49.584 5.964 @dotlist {oxy4} color= red {o gly 832}33.495 42.554 5.171 {o ile 833}32.144 46.992 4.073 {o glu 834}29.608 47.975 7.53 {o leu 835}28.277 51.91 5.565 @group {5 aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc5} color= white {c leu 835}P 28.491 51.478 6.693 {n thr 836}27.614 51.697 7.678 {ca thr 836}26.435 52.5 7.47 {c thr 836}26.505 53.697 8.393 {o thr 836}26.776 53.522 9.582 {c thr 836}P 26.505 53.697 8.393 {n tyr 837}26.241 54.908 7.916 @labellist {sc1} color= orange { G} P 34.556 43.073 3.065 @vectorlist {sc5} color= orange {ca ile 833}P 33.006 45.395 5.604 {cb ile 833}34.098 46.287 6.293 {ca glu 834}P 29.693 47.252 5.225 {cb glu 834}28.356 46.573 5.153 {ca leu 835}P 29.762 50.672 6.915 {cb leu 835}30.998 51.553 6.746 {ca thr 836}P 26.435 52.5 7.47 {cb thr 836}25.185 51.67 7.769 @vectorlist {hbond} color= yellow <1.953>{asp 22 hn} P 15.144 42.14 20.949 {tyr 18 o} 15.084 40.799 21.209 @dotlist {nit5} color= blue {n gly 832}34.564 41.653 2.811 {n ile 833}33.625 44.736 4.469 {n glu 834}30.73 46.331 5.644 {n leu 835}29.801 49.584 5.964 {n thr 836}27.614 51.697 7.678 @dotlist {oxy5} color= red {o gly 832}33.495 42.554 5.171 {o ile 833}32.144 46.992 4.073 {o glu 834}29.608 47.975 7.53 {o leu 835}28.277 51.91 5.565 {o thr 836}26.776 53.522 9.582 @group {6 aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc6} color= white {c thr 836}P 26.505 53.697 8.393 {n tyr 837}26.241 54.908 7.916 {ca tyr 837}26.257 56.087 8.77 {c tyr 837}25.055 56.956 8.467 {o tyr 837}24.507 56.868 7.353 {c tyr 837}P 25.055 56.956 8.467 {n gly 838}24.626 57.773 9.419 @labellist {sc1} color= orange { G} P 34.556 43.073 3.065 @vectorlist {sc6} color= orange {ca ile 833}P 33.006 45.395 5.604 {cb ile 833}34.098 46.287 6.293 {ca glu 834}P 29.693 47.252 5.225 {cb glu 834}28.356 46.573 5.153 {ca leu 835}P 29.762 50.672 6.915 {cb leu 835}30.998 51.553 6.746 {ca thr 836}P 26.435 52.5 7.47 {cb thr 836}25.185 51.67 7.769 {ca tyr 837}P 26.257 56.087 8.77 {cb tyr 837}27.547 56.891 8.558 @dotlist {nit6} color= blue {n gly 832}34.564 41.653 2.811 {n ile 833}33.625 44.736 4.469 {n glu 834}30.73 46.331 5.644 {n leu 835}29.801 49.584 5.964 {n thr 836}27.614 51.697 7.678 {n tyr 837}26.241 54.908 7.916 @dotlist {oxy6} color= red {o gly 832}33.495 42.554 5.171 {o ile 833}32.144 46.992 4.073 {o glu 834}29.608 47.975 7.53 {o leu 835}28.277 51.91 5.565 {o thr 836}26.776 53.522 9.582 {o tyr 837}24.507 56.868 7.353 @group {7 aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc 6aa} instance= {mc6} color=greentint @vectorlist {mc7} color= white {c tyr 837}P 25.055 56.956 8.467 {n gly 838}24.626 57.773 9.419 {ca gly 838}23.536 58.704 9.194 {c gly 838}23.238 59.471 10.472 {o gly 838}23.792 59.143 11.528 {c gly 838}P 23.238 59.471 10.472 {n ile 839}22.361 60.468 10.445 @labellist {sc1} color= orange { G} P 34.556 43.073 3.065 @vectorlist {sc 6} instance= {sc6} color= orange @labellist {sc7} color= orange { G} P 23.536 58.704 9.194 @dotlist {nit7} color= blue {n gly 832}34.564 41.653 2.811 {n ile 833}33.625 44.736 4.469 {n glu 834}30.73 46.331 5.644 {n leu 835}29.801 49.584 5.964 {n thr 836}27.614 51.697 7.678 {n tyr 837}26.241 54.908 7.916 {n gly 838}24.626 57.773 9.419 @dotlist {oxy7} color= red {o gly 832}33.495 42.554 5.171 {o ile 833}32.144 46.992 4.073 {o glu 834}29.608 47.975 7.53 {o leu 835}28.277 51.91 5.565 {o thr 836}26.776 53.522 9.582 {o tyr 837}24.507 56.868 7.353 {o gly 838}23.792 59.143 11.528 @group {str 2 1aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc 6aa} instance= {mc6} color=greentint @vectorlist {mc 7aa} instance= {mc7} color=greentint @vectorlist {mc11} color= white {c asp 845}P 20.106 57.698 7.084 {n arg 846}20.29 56.799 6.118 {ca arg 846}21.296 55.751 6.251 {c arg 846}22.081 55.502 4.956 {o arg 846}21.512 55.012 3.964 {c arg 846}P 22.081 55.502 4.956 {n thr 847}23.36 55.837 4.897 @labellist {lab1-7} color= orange { G} P 34.556 43.073 3.065 { G} P 23.536 58.704 9.194 @vectorlist {sc 6} instance= {sc6} @vectorlist {sc11} color= orange {ca arg 846}P 21.296 55.751 6.251 {cb arg 846}20.643 54.424 6.749 @dotlist {nit 1-7} instance= {nit7} @dotlist {nit 11} color= blue {n arg 846}20.29 56.799 6.118 @dotlist {oxy 1-7} instance= {oxy7} @dotlist {oxy 11} color= red {o arg 846}21.512 55.012 3.964 @group {str 2 2aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc 6aa} instance= {mc6} color=greentint @vectorlist {mc 7aa} instance= {mc7} color=greentint @vectorlist {mc 11aa} instance= {mc11} color=greentint @vectorlist {mc12} color= white {c arg 846}P 22.081 55.502 4.956 {n thr 847}23.36 55.837 4.897 {ca thr 847}24.165 55.553 3.703 {c thr 847}25.05 54.35 4.019 {o thr 847}25.714 54.354 5.063 {c thr 847}P 25.05 54.35 4.019 {n thr 848}25.088 53.319 3.177 @labellist {lab1-7} color= orange { G} P 34.556 43.073 3.065 { G} P 23.536 58.704 9.194 @vectorlist {sc 1-6} instance= {sc6} @vectorlist {sc12} color= orange {ca arg 846}P 21.296 55.751 6.251 {cb arg 846}20.643 54.424 6.749 {ca thr 847}P 24.165 55.553 3.703 {cb thr 847}25.062 56.745 3.336 @vectorlist {hbond12} color= yellow <2.018>{tyr 837 hn} P 26.026 55.011 6.945 {thr 847 o} 25.808 54.551 5.628 <1.911>{thr 847 hn} P 23.775 56.291 5.685 {tyr 837 o} 24.287 56.695 6.853 @dotlist {nit 1-7} instance= {nit7} @dotlist {nit 12} color= blue {n arg 846}20.29 56.799 6.118 {n thr 847}23.36 55.837 4.897 @dotlist {oxy 1-7} instance= {oxy7} @dotlist {oxy 12} color= red {o arg 846}21.512 55.012 3.964 {o thr 847}25.714 54.354 5.063 @group {str 2 3aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc 6aa} instance= {mc6} color=greentint @vectorlist {mc 7aa} instance= {mc7} color=greentint @vectorlist {mc 11aa} instance= {mc11} color=greentint @vectorlist {mc 12aa} instance= {mc12} color=greentint @vectorlist {mc13} color= white {c thr 847}P 25.05 54.35 4.019 {n thr 848}25.088 53.319 3.177 {ca thr 848}25.939 52.153 3.388 {c thr 848}27.044 52.159 2.324 {o thr 848}26.754 52.369 1.142 {c thr 848}P 27.044 52.159 2.324 {n ile 849}28.29 51.96 2.734 @labellist {lab1-7} color= orange { G} P 34.556 43.073 3.065 { G} P 23.536 58.704 9.194 @vectorlist {sc 1-6} instance= {sc6} @vectorlist {sc13} color= orange {ca arg 846}P 21.296 55.751 6.251 {cb arg 846}20.643 54.424 6.749 {ca thr 847}P 24.165 55.553 3.703 {cb thr 847}25.062 56.745 3.336 {ca thr 848}P 25.939 52.153 3.388 {cb thr 848}25.129 50.844 3.256 @vectorlist {hbond 12} instance= {hbond12} @vectorlist {hbond13} color= yellow @dotlist {nit 1-7} instance= {nit7} @dotlist {nit 13} color= blue {n arg 846}20.29 56.799 6.118 {n thr 847}23.36 55.837 4.897 {n thr 848}25.088 53.319 3.177 @dotlist {oxy 1-7} instance= {oxy7} @dotlist {oxy 13} color= red {o arg 846}21.512 55.012 3.964 {o thr 847}25.714 54.354 5.063 {o thr 848}26.754 52.369 1.142 @group {str 2 4aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc 6aa} instance= {mc6} color=greentint @vectorlist {mc 7aa} instance= {mc7} color=greentint @vectorlist {mc 11aa} instance= {mc11} color=greentint @vectorlist {mc 12aa} instance= {mc12} color=greentint @vectorlist {mc 13aa} instance= {mc13} color=greentint @vectorlist {mc14} color= white {c thr 848}P 27.044 52.159 2.324 {n ile 849}28.29 51.96 2.734 {ca ile 849}29.46 51.909 1.869 {c ile 849}29.962 50.473 1.998 {o ile 849}30.058 49.949 3.116 {c ile 849}P 29.962 50.473 1.998 {n asp 850}30.302 49.802 0.9 @labellist {lab1-7} color= orange { G} P 34.556 43.073 3.065 { G} P 23.536 58.704 9.194 @vectorlist {sc 1-6} instance= {sc6} @vectorlist {sc14} color= orange {ca arg 846}P 21.296 55.751 6.251 {cb arg 846}20.643 54.424 6.749 {ca thr 847}P 24.165 55.553 3.703 {cb thr 847}25.062 56.745 3.336 {ca thr 848}P 25.939 52.153 3.388 {cb thr 848}25.129 50.844 3.256 {ca ile 849}P 29.46 51.909 1.869 {cb ile 849}30.581 52.861 2.371 @vectorlist {hbond 12} instance= {hbond12} @vectorlist {hbond14} color= yellow <1.891>{leu 835 hn} P 29.942 49.801 4.998 {ile 849 o} 30.023 49.905 3.681 <1.857>{ile 849 hn} P 28.435 51.835 3.716 {leu 835 o} 28.324 51.888 5.01 @dotlist {nit 1-7} instance= {nit7} @dotlist {nit 14} color= blue {n arg 846}20.29 56.799 6.118 {n thr 847}23.36 55.837 4.897 {n thr 848}25.088 53.319 3.177 {n ile 849}28.29 51.96 2.734 @dotlist {oxy 1-7} instance= {oxy7} @dotlist {oxy 14} color= red {o arg 846}21.512 55.012 3.964 {o thr 847}25.714 54.354 5.063 {o thr 848}26.754 52.369 1.142 {o ile 849}30.058 49.949 3.116 @group {str 2 5aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc 6aa} instance= {mc6} color=greentint @vectorlist {mc 7aa} instance= {mc7} color=greentint @vectorlist {mc 11aa} instance= {mc11} color=greentint @vectorlist {mc 12aa} instance= {mc12} color=greentint @vectorlist {mc 13aa} instance= {mc13} color=greentint @vectorlist {mc 14aa} instance= {mc14} color=greentint @vectorlist {mc15} color= white {c ile 849}P 29.962 50.473 1.998 {n asp 850}30.302 49.802 0.9 {ca asp 850}30.834 48.453 0.969 {c asp 850}32.335 48.585 0.762 {o asp 850}32.799 49.064 -0.279 {c asp 850}P 32.335 48.585 0.762 {n leu 851}33.124 48.236 1.768 @labellist {lab1-7} color= orange { G} P 34.556 43.073 3.065 { G} P 23.536 58.704 9.194 @vectorlist {sc 1-6} instance= {sc6} @vectorlist {sc15} color= orange {ca arg 846}P 21.296 55.751 6.251 {cb arg 846}20.643 54.424 6.749 {ca thr 847}P 24.165 55.553 3.703 {cb thr 847}25.062 56.745 3.336 {ca thr 848}P 25.939 52.153 3.388 {cb thr 848}25.129 50.844 3.256 {ca ile 849}P 29.46 51.909 1.869 {cb ile 849}30.581 52.861 2.371 {ca asp 850}P 30.834 48.453 0.969 {cb asp 850}30.248 47.536 -0.107 @vectorlist {hbond 12} instance= {hbond12} @vectorlist {hbond 14} instance= {hbond14} @vectorlist {hbond15} color= yellow @dotlist {nit 1-7} instance= {nit7} @dotlist {nit 15} color= blue {n arg 846}20.29 56.799 6.118 {n thr 847}23.36 55.837 4.897 {n thr 848}25.088 53.319 3.177 {n ile 849}28.29 51.96 2.734 {n asp 850}30.302 49.802 0.9 @dotlist {oxy 1-7} instance= {oxy7} @dotlist {oxy 15} color= red {o arg 846}21.512 55.012 3.964 {o thr 847}25.714 54.354 5.063 {o thr 848}26.754 52.369 1.142 {o ile 849}30.058 49.949 3.116 {o asp 850}32.799 49.064 -0.279 @group {str 2 6aa} dominant animate @vectorlist {mc 1aa} instance= {mc1} color=greentint @vectorlist {mc 2aa} instance= {mc2} color=greentint @vectorlist {mc 3aa} instance= {mc3} color=greentint @vectorlist {mc 4aa} instance= {mc4} color=greentint @vectorlist {mc 5aa} instance= {mc5} color=greentint @vectorlist {mc 6aa} instance= {mc6} color=greentint @vectorlist {mc 7aa} instance= {mc7} color=greentint @vectorlist {mc 11aa} instance= {mc11} color=greentint @vectorlist {mc 12aa} instance= {mc12} color=greentint @vectorlist {mc 13aa} instance= {mc13} color=greentint @vectorlist {mc 14aa} instance= {mc14} color=greentint @vectorlist {mc 15aa} instance= {mc15} color=greentint @vectorlist {mc16} color= white {c asp 850}P 32.335 48.585 0.762 {n leu 851}33.124 48.236 1.768 {ca leu 851}34.579 48.324 1.71 {c leu 851}35.183 46.974 1.358 {o leu 851}34.539 45.934 1.57 {c leu 851}P 35.183 46.974 1.358 {n thr 852}36.4 46.947 0.826 @labellist {lab1-7} color= orange { G} P 34.556 43.073 3.065 { G} P 23.536 58.704 9.194 @vectorlist {sc 1-6} instance= {sc6} @vectorlist {sc16} color= orange {ca arg 846}P 21.296 55.751 6.251 {cb arg 846}20.643 54.424 6.749 {ca thr 847}P 24.165 55.553 3.703 {cb thr 847}25.062 56.745 3.336 {ca thr 848}P 25.939 52.153 3.388 {cb thr 848}25.129 50.844 3.256 {ca ile 849}P 29.46 51.909 1.869 {cb ile 849}30.581 52.861 2.371 {ca asp 850}P 30.834 48.453 0.969 {cb asp 850}30.248 47.536 -0.107 {ca leu 851}P 34.579 48.324 1.71 {cb leu 851}35.218 48.733 3.055 @vectorlist {hbond 12} instance= {hbond12} @vectorlist {hbond 14} instance= {hbond14} @vectorlist {hbond16} color= yellow <2.311>{ile 833 hn} P 33.906 45.317 3.705 {leu 851 o} 34.349 45.749 2.211 <1.809>{leu 851 hn} P 32.696 47.896 2.606 {ile 833 o} 32.31 47.263 3.633 @dotlist {nit 1-7} instance= {nit7} @dotlist {nit 16} color= blue {n arg 846}20.29 56.799 6.118 {n thr 847}23.36 55.837 4.897 {n thr 848}25.088 53.319 3.177 {n ile 849}28.29 51.96 2.734 {n asp 850}30.302 49.802 0.9 {n leu 851}33.124 48.236 1.768 @dotlist {oxy 1-7} instance= {oxy7} @dotlist {oxy 16} color= red {o arg 846}21.512 55.012 3.964 {o thr 847}25.714 54.354 5.063 {o thr 848}26.754 52.369 1.142 {o ile 849}30.058 49.949 3.116 {o asp 850}32.799 49.064 -0.279 {o leu 851}34.539 45.934 1.57 @group {side chains} off @vectorlist {all str 1} color= orange {ca ile 833}P 33.006 45.395 5.604 {cb ile 833}34.098 46.287 6.293 {cg1 ile 833}35.264 45.461 6.805 {cd1 ile 833}34.862 44.535 7.97 {cb ile 833}P 34.098 46.287 6.293 {cg2 ile 833}33.542 47.163 7.426 {ca glu 834}P 29.693 47.252 5.225 {cb glu 834}28.356 46.573 5.153 {cg glu 834}28.33 45.513 4.067 {cd glu 834}26.988 44.841 3.825 {oe1 glu 834}25.982 45.152 4.467 {cd glu 834}P 26.988 44.841 3.825 {oe2 glu 834}26.939 43.951 2.984 {ca leu 835}P 29.762 50.672 6.915 {cb leu 835}30.998 51.553 6.746 {cg leu 835}31.246 52.751 7.685 {cd1 leu 835}32.73 53.056 7.701 {cg leu 835}P 31.246 52.751 7.685 {cd2 leu 835}30.504 54.022 7.246 {ca thr 836}P 26.435 52.5 7.47 {cb thr 836}25.185 51.67 7.769 {og1 thr 836}25.226 50.576 6.859 {cb thr 836}P 25.185 51.67 7.769 {cg2 thr 836}23.865 52.437 7.623 {ca tyr 837}P 26.257 56.087 8.77 {cb tyr 837}27.547 56.891 8.558 {cg tyr 837}27.714 57.569 7.19 {cd1 tyr 837}28.327 56.89 6.152 {ce1 tyr 837}28.525 57.531 4.951 {cz tyr 837}28.099 58.838 4.804 {oh tyr 837}28.318 59.491 3.602 {cg tyr 837}P 27.714 57.569 7.19 {cd2 tyr 837}27.29 58.878 7.023 {ce2 tyr 837}27.474 59.526 5.826 {cz tyr 837}28.099 58.838 4.804 @vectorlist {all str 2} color= orange {ca arg 846}P 21.296 55.751 6.251 {cb arg 846}20.643 54.424 6.749 {cg arg 846}20.019 54.404 8.167 {cd arg 846}21.037 54.749 9.279 {ne arg 846}20.461 54.805 10.628 {cz arg 846}20.182 55.948 11.309 {nh1 arg 846}20.411 57.161 10.777 {cz arg 846}P 20.182 55.948 11.309 {nh2 arg 846}19.755 55.863 12.581 {ca thr 847}P 24.165 55.553 3.703 {cb thr 847}25.062 56.745 3.336 {og1 thr 847}24.223 57.872 3.185 {cb thr 847}P 25.062 56.745 3.336 {cg2 thr 847}25.852 56.515 2.049 {ca thr 848}P 25.939 52.153 3.388 {cb thr 848}25.129 50.844 3.256 {og1 thr 848}24.111 50.895 4.273 {cb thr 848}P 25.129 50.844 3.256 {cg2 thr 848}26.001 49.576 3.34 {ca ile 849}P 29.46 51.909 1.869 {cb ile 849}30.581 52.861 2.371 {cg1 ile 849}30.121 54.28 2.714 {cd1 ile 849}29.57 55.163 1.577 {cb ile 849}P 30.581 52.861 2.371 {cg2 ile 849}31.719 52.863 1.339 {ca asp 850}P 30.834 48.453 0.969 {cb asp 850}30.248 47.536 -0.107 {cg asp 850}28.732 47.381 -0.105 {od1 asp 850}28.046 47.471 0.911 {cg asp 850}P 28.732 47.381 -0.105 {od2 asp 850}28.194 47.18 -1.186 {ca leu 851}P 34.579 48.324 1.71 {cb leu 851}35.218 48.733 3.055 {cg leu 851}35.002 50.093 3.711 {cd1 leu 851}35.169 51.231 2.734 {cg leu 851}P 35.002 50.093 3.711 {cd2 leu 851}33.629 50.153 4.337 @vectorlist {phobic} color= green off {ca ile 833}P 33.006 45.395 5.604 {cb ile 833}34.098 46.287 6.293 {cg1 ile 833}35.264 45.461 6.805 {cd1 ile 833}34.862 44.535 7.97 {cb ile 833}P 34.098 46.287 6.293 {cg2 ile 833}33.542 47.163 7.426 {ca leu 835}P 29.762 50.672 6.915 {cb leu 835}30.998 51.553 6.746 {cg leu 835}31.246 52.751 7.685 {cd1 leu 835}32.73 53.056 7.701 {cg leu 835}P 31.246 52.751 7.685 {cd2 leu 835}30.504 54.022 7.246 {ca ile 849}P 29.46 51.909 1.869 {cb ile 849}30.581 52.861 2.371 {cg1 ile 849}30.121 54.28 2.714 {cd1 ile 849}29.57 55.163 1.577 {cb ile 849}P 30.581 52.861 2.371 {cg2 ile 849}31.719 52.863 1.339 {ca leu 851}P 34.579 48.324 1.71 {cb leu 851}35.218 48.733 3.055 {cg leu 851}35.002 50.093 3.711 {cd1 leu 851}35.169 51.231 2.734 {cg leu 851}P 35.002 50.093 3.711 {cd2 leu 851}33.629 50.153 4.337 @vectorlist {philic} color= blue off {ca glu 834}P 29.693 47.252 5.225 {cb glu 834}28.356 46.573 5.153 {cg glu 834}28.33 45.513 4.067 {cd glu 834}26.988 44.841 3.825 {oe1 glu 834}25.982 45.152 4.467 {cd glu 834}P 26.988 44.841 3.825 {oe2 glu 834}26.939 43.951 2.984 {ca thr 836}P 26.435 52.5 7.47 {cb thr 836}25.185 51.67 7.769 {og1 thr 836}25.226 50.576 6.859 {cb thr 836}P 25.185 51.67 7.769 {cg2 thr 836}23.865 52.437 7.623 {ca tyr 837}P 26.257 56.087 8.77 {cb tyr 837}27.547 56.891 8.558 {cg tyr 837}27.714 57.569 7.19 {cd1 tyr 837}28.327 56.89 6.152 {ce1 tyr 837}28.525 57.531 4.951 {cz tyr 837}28.099 58.838 4.804 {oh tyr 837}28.318 59.491 3.602 {cg tyr 837}P 27.714 57.569 7.19 {cd2 tyr 837}27.29 58.878 7.023 {ce2 tyr 837}27.474 59.526 5.826 {cz tyr 837}28.099 58.838 4.804 {ca arg 846}P 21.296 55.751 6.251 {cb arg 846}20.643 54.424 6.749 {cg arg 846}20.019 54.404 8.167 {cd arg 846}21.037 54.749 9.279 {ne arg 846}20.461 54.805 10.628 {cz arg 846}20.182 55.948 11.309 {nh1 arg 846}20.411 57.161 10.777 {cz arg 846}P 20.182 55.948 11.309 {nh2 arg 846}19.755 55.863 12.581 {ca thr 847}P 24.165 55.553 3.703 {cb thr 847}25.062 56.745 3.336 {og1 thr 847}24.223 57.872 3.185 {cb thr 847}P 25.062 56.745 3.336 {cg2 thr 847}25.852 56.515 2.049 {ca thr 848}P 25.939 52.153 3.388 {cb thr 848}25.129 50.844 3.256 {og1 thr 848}24.111 50.895 4.273 {cb thr 848}P 25.129 50.844 3.256 {cg2 thr 848}26.001 49.576 3.34 {ca asp 850}P 30.834 48.453 0.969 {cb asp 850}30.248 47.536 -0.107 {cg asp 850}28.732 47.381 -0.105 {od1 asp 850}28.046 47.471 0.911 {cg asp 850}P 28.732 47.381 -0.105 {od2 asp 850}28.194 47.18 -1.186 @kinemage 5 @caption Tertiary structure of beta strands in a beta sheet. This sheet is one portion of a globular protein. For clarity, the connecting turns are not shown; however, the beta strands are displayed in sequence order. @onewidth @zoom 1.00 @zslab 200 @center 26.505 53.697 8.393 @matrix 0.425798 0.288884 -0.857462 -0.839327 -0.227869 -0.493563 -0.337973 0.929850 0.145443 @2zoom 1.00 @2zslab 200 @2center 26.505 53.697 8.393 @2matrix -0.560524 0.818957 -0.122973 0.802876 0.573798 0.161697 0.202985 -0.008097 -0.979149 @3zoom 1.00 @3zslab 200 @3center 26.505 53.697 8.393 @3matrix 0.040632 0.229040 0.972569 0.979437 -0.201640 0.006567 0.197613 0.952304 -0.232524 @group {strand 1} animate dominant @vectorlist {strand1} color= white {n gly 832}P 34.564 41.653 2.811 {ca gly 832}34.556 43.073 3.065 {c gly 832}33.848 43.426 4.362 {o gly 832}33.495 42.554 5.171 {c gly 832}P 33.848 43.426 4.362 {n ile 833}33.625 44.736 4.469 {ca ile 833}33.006 45.395 5.604 {c ile 833}31.911 46.302 5.064 {o ile 833}32.144 46.992 4.073 {c ile 833}P 31.911 46.302 5.064 {n glu 834}30.73 46.331 5.644 {ca glu 834}29.693 47.252 5.225 {c glu 834}29.656 48.312 6.334 {o glu 834}29.608 47.975 7.53 {c glu 834}P 29.656 48.312 6.334 {n leu 835}29.801 49.584 5.964 {ca leu 835}29.762 50.672 6.915 {c leu 835}28.491 51.478 6.693 {o leu 835}28.277 51.91 5.565 {c leu 835}P 28.491 51.478 6.693 {n thr 836}27.614 51.697 7.678 {ca thr 836}26.435 52.5 7.47 {c thr 836}26.505 53.697 8.393 {o thr 836}26.776 53.522 9.582 {c thr 836}P 26.505 53.697 8.393 {n tyr 837}26.241 54.908 7.916 {ca tyr 837}26.257 56.087 8.77 {c tyr 837}25.055 56.956 8.467 {o tyr 837}24.507 56.868 7.353 {c tyr 837}P 25.055 56.956 8.467 {n gly 838}24.626 57.773 9.419 {ca gly 838}23.536 58.704 9.194 {c gly 838}23.238 59.471 10.472 {o gly 838}23.792 59.143 11.528 {c gly 838}P 23.238 59.471 10.472 {n ile 839}22.361 60.468 10.445 {ca ile 839}21.988 61.251 11.621 {c ile 839}21.283 60.262 12.546 {o ile 839}20.314 59.598 12.162 {c ile 839}P 21.283 60.262 12.546 {n lys 840}21.747 60.192 13.787 {ca lys 840}21.264 59.214 14.728 {c lys 840}19.771 59.071 14.863 {o lys 840}19.27 57.956 14.688 {c lys 840}P 19.771 59.071 14.863 {n asp 841}19.071 60.16 15.065 @group {strand 2} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {strand2} nobutton color= white {n asp 845}P 17.791 58.268 7.388 {ca asp 845}19.058 58.768 6.894 {c asp 845}20.106 57.698 7.084 {o asp 845}20.731 57.629 8.153 {c asp 845}P 20.106 57.698 7.084 {n arg 846}20.29 56.799 6.118 {ca arg 846}21.296 55.751 6.251 {c arg 846}22.081 55.502 4.956 {o arg 846}21.512 55.012 3.964 {c arg 846}P 22.081 55.502 4.956 {n thr 847}23.36 55.837 4.897 {ca thr 847}24.165 55.553 3.703 {c thr 847}25.05 54.35 4.019 {o thr 847}25.714 54.354 5.063 {c thr 847}P 25.05 54.35 4.019 {n thr 848}25.088 53.319 3.177 {ca thr 848}25.939 52.153 3.388 {c thr 848}27.044 52.159 2.324 {o thr 848}26.754 52.369 1.142 {c thr 848}P 27.044 52.159 2.324 {n ile 849}28.29 51.96 2.734 {ca ile 849}29.46 51.909 1.869 {c ile 849}29.962 50.473 1.998 {o ile 849}30.058 49.949 3.116 {c ile 849}P 29.962 50.473 1.998 {n asp 850}30.302 49.802 0.9 {ca asp 850}30.834 48.453 0.969 {c asp 850}32.335 48.585 0.762 {o asp 850}32.799 49.064 -0.279 {c asp 850}P 32.335 48.585 0.762 {n leu 851}33.124 48.236 1.768 {ca leu 851}34.579 48.324 1.71 {c leu 851}35.183 46.974 1.358 {o leu 851}34.539 45.934 1.57 {c leu 851}P 35.183 46.974 1.358 {n thr 852}36.4 46.947 0.826 @group {hbonds 1-2} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {str2} instance= {strand2} @vectorlist {hb2-1} nobutton color= yellow <2.311>{ile 833 hn} P 33.906 45.317 3.705 {leu 851 o} 34.349 45.749 2.211 <1.891>{leu 835 hn} P 29.942 49.801 4.998 {ile 849 o} 30.023 49.905 3.681 <2.018>{tyr 837 hn} P 26.026 55.011 6.945 {thr 847 o} 25.808 54.551 5.628 <1.911>{thr 847 hn} P 23.775 56.291 5.685 {tyr 837 o} 24.287 56.695 6.853 <1.857>{ile 849 hn} P 28.435 51.835 3.716 {leu 835 o} 28.324 51.888 5.01 <1.809>{leu 851 hn} P 32.696 47.896 2.606 {ile 833 o} 32.31 47.263 3.633 @group {strand 3} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 2-1} instance= {hb2-1} @vectorlist {strand3} nobutton color= white {n thr 867}P 25.646 68.065 14.921 {ca thr 867}24.668 67.01 14.754 {c thr 867}25.251 65.688 15.228 {o thr 867}26.426 65.395 14.964 {c thr 867}P 25.251 65.688 15.228 {n glu 868}24.433 64.911 15.938 {ca glu 868}24.824 63.603 16.408 {c glu 868}24.643 62.534 15.313 {o glu 868}23.59 62.422 14.682 {c glu 868}P 24.643 62.534 15.313 {n tyr 869}25.645 61.736 15.017 {ca tyr 869}25.59 60.72 13.99 {c tyr 869}25.861 59.344 14.568 {o tyr 869}26.47 59.192 15.626 {c tyr 869}P 25.861 59.344 14.568 {n glu 870}25.394 58.322 13.875 {ca glu 870}25.653 56.962 14.285 {c glu 870}26.367 56.262 13.11 {o glu 870}26.084 56.564 11.938 {c glu 870}P 26.367 56.262 13.11 {n val 871}27.321 55.373 13.399 {ca val 871}28.029 54.593 12.402 {c val 871}27.868 53.142 12.863 {o val 871}27.893 52.85 14.067 {c val 871}P 27.868 53.142 12.863 {n ser 872}27.683 52.216 11.932 {ca ser 872}27.502 50.812 12.215 {c ser 872}28.403 50.06 11.233 {o ser 872}28.471 50.454 10.065 {c ser 872}P 28.403 50.06 11.233 {n leu 873}29.112 49.018 11.672 {ca leu 873}29.978 48.227 10.817 {c leu 873}29.683 46.736 10.983 {o leu 873}29.476 46.238 12.104 {c leu 873}P 29.683 46.736 10.983 {n ile 874}29.672 46.003 9.867 {ca ile 874}29.419 44.559 9.806 {c ile 874}30.494 43.913 8.914 {o ile 874}30.848 44.479 7.865 {c ile 874}P 30.494 43.913 8.914 {n ser 875}31.068 42.78 9.336 {ca ser 875}32.034 42.018 8.544 {c ser 875}31.186 41.105 7.671 {o ser 875}30.132 40.62 8.115 {c ser 875}P 31.186 41.105 7.671 {n arg 876}31.627 40.81 6.453 {ca arg 876}30.865 39.986 5.537 {c arg 876}31.734 38.921 4.929 {o arg 876}32.933 39.122 4.736 {c arg 876}P 31.734 38.921 4.929 {n arg 877}31.133 37.78 4.662 @group {hbonds 1-3} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 2-1} instance= {hb2-1} @vectorlist {str3} instance= {strand3} @vectorlist {hb1-3} nobutton color= yellow <2.588>{gly 832 hn} P 34.029 41.052 3.404 {arg 876 o} 33.262 39.701 4.336 <1.932>{glu 834 hn} P 30.548 45.697 6.395 {ile 874 o} 30.758 44.844 7.424 <1.846>{thr 836 hn} P 27.768 51.301 8.583 {ser 872 o} 28.26 50.708 9.62 <2.250>{gly 838 hn} P 25.066 57.747 10.317 {glu 870 o} 25.779 56.919 11.452 <2.042>{lys 840 hn} P 22.453 60.835 14.084 {glu 868 o} 23.249 61.946 14.503 <1.967>{glu 870 hn} P 24.852 58.492 13.052 {gly 838 o} 24.11 58.948 11.985 <1.942>{ser 872 hn} P 27.667 52.503 10.974 {thr 836 o} 27.043 53.216 10. <2.116>{ile 874 hn} P 29.851 46.479 9.006 {glu 834 o} 29.681 47.526 7.973 <1.964>{arg 876 hn} P 32.513 41.167 6.156 {gly 832 o} 33.2 42.138 5.467 @group {strand 4} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 2-1} instance= {hb2-1} @vectorlist {str3} instance= {strand3} @vectorlist {hb 1-3} instance= {hb1-3} @vectorlist {strand4} nobutton color= white {n pro 884}P 26.406 43.573 14.108 {ca pro 884}26.848 44.943 13.907 {c pro 884}27.418 45.545 15.198 {o pro 884}26.963 45.205 16.31 {c pro 884}P 27.418 45.545 15.198 {n ala 885}28.454 46.369 15.022 {ca ala 885}29.066 47.13 16.115 {c ala 885}28.778 48.599 15.763 {o ala 885}29.041 49.034 14.623 {c ala 885}P 28.778 48.599 15.763 {n lys 886}28.216 49.37 16.71 {ca lys 886}27.808 50.757 16.52 {c lys 886}28.477 51.72 17.469 {o lys 886}28.714 51.382 18.639 {c lys 886}P 28.477 51.72 17.469 {n glu 887}28.674 52.943 16.976 {ca glu 887}29.283 54.027 17.733 {c glu 887}28.579 55.306 17.334 {o glu 887}27.995 55.388 16.243 {c glu 887}P 28.579 55.306 17.334 {n thr 888}28.564 56.287 18.217 {ca thr 888}27.961 57.585 17.954 {c thr 888}29.061 58.652 17.974 {o thr 888}30.11 58.4 18.571 {c thr 888}P 29.061 58.652 17.974 {n phe 889}28.907 59.806 17.341 {ca phe 889}29.897 60.877 17.375 {c phe 889}29.111 62.169 17.122 {o phe 889}27.985 62.077 16.597 {c phe 889}P 29.111 62.169 17.122 {n thr 890}29.638 63.367 17.361 {ca thr 890}28.888 64.59 17.129 {c thr 890}29.789 65.518 16.332 {o thr 890}30.986 65.501 16.532 {c thr 890}P 29.789 65.518 16.332 {n thr 891}29.279 66.246 15.341 {ca thr 891}30.109 67.194 14.602 {c thr 891}30.016 68.571 15.274 {o thr 891}29.317 68.719 16.28 {c thr 891}P 30.016 68.571 15.274 {oxt thr 891}30.619 69.506 14.762 @group {hbonds 3-4} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 2-1} instance= {hb2-1} @vectorlist {str3} instance= {strand3} @vectorlist {hb 1-3} instance= {hb1-3} @vectorlist {str4} instance= {strand4} @vectorlist {hb} nobutton color= yellow <1.846>{tyr 869 hn} P 26.494 61.841 15.535 {phe 889 o} 27.538 62.006 16.278 <1.939>{val 871 hn} P 27.566 55.232 14.358 {glu 887 o} 27.866 55.341 15.677 <2.004>{leu 873 hn} P 29.047 48.766 12.637 {ala 885 o} 29.043 48.954 14.027 <2.111>{ala 885 hn} P 28.828 46.47 14.1 {leu 873 o} 29.282 46.308 12.703 <2.049>{glu 887 hn} P 28.389 53.127 16.036 {val 871 o} 28.042 52.933 14.658 <2.129>{phe 889 hn} P 28.068 59.945 16.815 {tyr 869 o} 26.949 59.418 15.983 <2.035>{thr 891 hn} P 28.314 66.141 15.101 {thr 867 o} 26.992 65.619 15.005 @kinemage 6 @caption Beta sheets in a globular protein. Animation of this kinemage shows how a globular protein is built one beta strand at a time. The strands are represented as alpha-carbon chains only. The N- and C-termini are marked with blue and red, respectively. The connecting loops are yellow. @onewidth @zoom 1.00 @zslab 200 @center 27.614 51.697 7.678 @matrix -0.624481 0.237807 0.743956 0.717789 -0.200757 0.666689 0.307899 0.950339 -0.045327 @2zoom 1.00 @2zslab 200 @2center 27.614 51.697 7.678 @2matrix -0.409298 0.893068 -0.186827 0.894704 0.432989 0.109661 0.178830 -0.122272 -0.976254 @3zoom 1.00 @3zslab 200 @3center 27.614 51.697 7.678 @3matrix -0.155181 0.906351 -0.392998 0.035780 0.402713 0.914627 0.987239 0.127871 -0.094922 @group {strand 1} @subgroup {main chain} @vectorlist {main chain} nobutton color= white {n gly 832}P 34.564 41.653 2.811 {ca gly 832}34.556 43.073 3.065 {c gly 832}33.848 43.426 4.362 {o gly 832}33.495 42.554 5.171 {c gly 832}P 33.848 43.426 4.362 {n ile 833}33.625 44.736 4.469 {ca ile 833}33.006 45.395 5.604 {c ile 833}31.911 46.302 5.064 {o ile 833}32.144 46.992 4.073 {c ile 833}P 31.911 46.302 5.064 {n glu 834}30.73 46.331 5.644 {ca glu 834}29.693 47.252 5.225 {c glu 834}29.656 48.312 6.334 {o glu 834}29.608 47.975 7.53 {c glu 834}P 29.656 48.312 6.334 {n leu 835}29.801 49.584 5.964 {ca leu 835}29.762 50.672 6.915 {c leu 835}28.491 51.478 6.693 {o leu 835}28.277 51.91 5.565 {c leu 835}P 28.491 51.478 6.693 {n thr 836}27.614 51.697 7.678 {ca thr 836}26.435 52.5 7.47 {c thr 836}26.505 53.697 8.393 {o thr 836}26.776 53.522 9.582 {c thr 836}P 26.505 53.697 8.393 {n tyr 837}26.241 54.908 7.916 {ca tyr 837}26.257 56.087 8.77 {c tyr 837}25.055 56.956 8.467 {o tyr 837}24.507 56.868 7.353 {c tyr 837}P 25.055 56.956 8.467 {n gly 838}24.626 57.773 9.419 {ca gly 838}23.536 58.704 9.194 {c gly 838}23.238 59.471 10.472 {o gly 838}23.792 59.143 11.528 {c gly 838}P 23.238 59.471 10.472 {n ile 839}22.361 60.468 10.445 {ca ile 839}21.988 61.251 11.621 {c ile 839}21.283 60.262 12.546 {o ile 839}20.314 59.598 12.162 {c ile 839}P 21.283 60.262 12.546 {n lys 840}21.747 60.192 13.787 {ca lys 840}21.264 59.214 14.728 {c lys 840}19.771 59.071 14.863 {o lys 840}19.27 57.956 14.688 {c lys 840}P 19.771 59.071 14.863 {n asp 841}19.071 60.16 15.065 @group {strand 1} dominant off animate @vectorlist {strand1} color= cyan master= {sheet 1} {ca asp 831}P 35.179 39.628 1.649 {ca gly 832}34.556 43.073 3.065 {ca ile 833}33.006 45.395 5.604 {ca glu 834}29.693 47.252 5.225 {ca leu 835}29.762 50.672 6.915 {ca thr 836}26.435 52.5 7.47 {ca tyr 837}26.257 56.087 8.77 {ca gly 838}23.536 58.704 9.194 {ca ile 839}21.988 61.251 11.621 {ca lys 840}21.264 59.214 14.728 {ca asp 841}17.64 60.066 15.255 @vectorlist {ncap1} color= blue master= {sheet 1} {ca asp 831}P 35.179 39.628 1.649 {ca gly 832}34.556 43.073 3.065 @vectorlist {ccap1} color= red master= {sheet 1} {ca lys 840}P 21.264 59.214 14.728 {ca asp 841}17.64 60.066 15.255 @group {loop 1} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {loop1} color= yellowtint master= {loops} {ca asp 841}P 17.64 60.066 15.255 {ca val 842}16.567 60.282 11.607 {ca pro 843}15.725 56.562 10.816 {ca gly 844}15.635 57.077 7.093 {ca asp 845}19.058 58.768 6.894 @group {strand 2} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {strand2} color= cyan master= {sheet 1} {ca asp 845}P 19.058 58.768 6.894 {ca arg 846}21.296 55.751 6.251 {ca thr 847}24.165 55.553 3.703 {ca thr 848}25.939 52.153 3.388 {ca ile 849}29.46 51.909 1.869 {ca asp 850}30.834 48.453 0.969 {ca leu 851}34.579 48.324 1.71 {ca thr 852}37.051 45.689 0.531 @vectorlist {ncap2} color= blue master= {sheet 1} {ca asp 845}P 19.058 58.768 6.894 {ca arg 846}21.296 55.751 6.251 @vectorlist {ccap2} color= red master= {sheet 1} {ca leu 851}P 34.579 48.324 1.71 {ca thr 852}37.051 45.689 0.531 @vectorlist {hb1-2} nobutton color= yellow master= {sheet 1} <2.311>{ile 833 hn} P 33.906 45.317 3.705 {leu 851 o} 34.349 45.749 2.211 <1.891>{leu 835 hn} P 29.942 49.801 4.998 {ile 849 o} 30.023 49.905 3.681 <2.018>{tyr 837 hn} P 26.026 55.011 6.945 {thr 847 o} 25.808 54.551 5.628 <1.911>{thr 847 hn} P 23.775 56.291 5.685 {tyr 837 o} 24.287 56.695 6.853 <1.857>{ile 849 hn} P 28.435 51.835 3.716 {leu 835 o} 28.324 51.888 5.01 <1.809>{leu 851 hn} P 32.696 47.896 2.606 {ile 833 o} 32.31 47.263 3.633 @group {loop 2} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 1-2} instance= {hb1-2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {loop2} color= yellowtint master= {loops} {ca thr 852}P 37.051 45.689 0.531 {ca glu 853}38.853 43.515 3.183 {ca asp 854}42.056 45.524 2.852 {ca glu 855}40.477 48.866 3.912 {ca asn 856}40.804 49.853 7.585 {ca asn 856}P 40.804 49.853 7.585 {ca gln 857}39.607 53.523 7.586 {ca tyr 858}36.981 55.685 5.849 {ca ser 859}36.812 59.47 5.594 {ca ile 860}33.295 61.002 5.61 {ca gly 861}32.504 64.551 4.379 {ca asn 862}29.538 66.887 3.87 {ca asn 862}P 29.538 66.887 3.87 {ca leu 863}28.04 66.199 7.285 {ca lys 864}25.754 68.651 9.084 {ca pro 865}27.333 70.808 11.873 {ca asp 866}26.409 70.25 15.543 {ca thr 867}24.668 67.01 14.754 {ca glu 868}24.824 63.603 16.408 @group {strand 3} dominant animate @vectorlist {hlx1} instance= {strand1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 1-2} instance= {hb1-2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {strand3} color= cyan master= {sheet 1} {ca glu 868}P 24.824 63.603 16.408 {ca tyr 869}25.59 60.72 13.99 {ca glu 870}25.653 56.962 14.285 {ca val 871}28.029 54.593 12.402 {ca ser 872}27.502 50.812 12.215 {ca leu 873}29.978 48.227 10.817 {ca ile 874}29.419 44.559 9.806 {ca ser 875}32.034 42.018 8.544 {ca arg 876}30.865 39.986 5.537 @vectorlist {hb1-3} nobutton color= yellow master= {sheet 1} <2.588>{gly 832 hn} P 34.029 41.052 3.404 {arg 876 o} 33.262 39.701 4.336 <1.932>{glu 834 hn} P 30.548 45.697 6.395 {ile 874 o} 30.758 44.844 7.424 <1.846>{thr 836 hn} P 27.768 51.301 8.583 {ser 872 o} 28.26 50.708 9.62 <2.250>{gly 838 hn} P 25.066 57.747 10.317 {glu 870 o} 25.779 56.919 11.452 <2.042>{lys 840 hn} P 22.453 60.835 14.084 {glu 868 o} 23.249 61.946 14.503 <1.967>{glu 870 hn} P 24.852 58.492 13.052 {gly 838 o} 24.11 58.948 11.985 <1.942>{ser 872 hn} P 27.667 52.503 10.974 {thr 836 o} 27.043 53.216 10. <2.116>{ile 874 hn} P 29.851 46.479 9.006 {glu 834 o} 29.681 47.526 7.973 <1.964>{arg 876 hn} P 32.513 41.167 6.156 {gly 832 o} 33.2 42.138 5.467 @vectorlist {ncap3} color= blue master= {sheet 1} {ca glu 868}P 24.824 63.603 16.408 {ca tyr 869}25.59 60.72 13.99 @vectorlist {ccap3} color= red master= {sheet 1} {ca ser 875}P 32.034 42.018 8.544 {ca arg 876}30.865 39.986 5.537 @group {loop 3} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 1-2} instance= {hb1-2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {str3} instance= {strand3} @vectorlist {hb 1-3} instance= {hb1-3} @vectorlist {nc3} instance= {ncap3} @vectorlist {cc3} instance= {ccap3} @vectorlist {loop3} color= yellowtint master= {loops} {ca arg 876}P 30.865 39.986 5.537 {ca arg 877}31.806 36.695 3.983 {ca gly 878}29.393 35.476 1.39 {ca asp 879}26.134 34.605 2.9 {ca met 880}27.41 35.4 6.402 {ca ser 881}27.731 38.636 8.338 {ca ser 882}28.974 39.469 11.825 {ca asn 883}26.788 41.113 14.432 {ca pro 884}26.848 44.943 13.907 @group {strand 4} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 1-2} instance= {hb1-2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {str3} instance= {strand3} @vectorlist {hb 1-3} instance= {hb1-3} @vectorlist {nc3} instance= {ncap3} @vectorlist {cc3} instance= {ccap3} @vectorlist {lp3} instance= {loop3} @vectorlist {strand4} color= cyan master= {sheet 1} {ca pro 884}P 26.848 44.943 13.907 {ca ala 885}29.066 47.13 16.115 {ca lys 886}27.808 50.757 16.52 {ca glu 887}29.283 54.027 17.733 {ca thr 888}27.961 57.585 17.954 {ca phe 889}29.897 60.877 17.375 {ca thr 890}28.888 64.59 17.129 {ca thr 891}30.109 67.194 14.602 @vectorlist {hb3-4} nobutton color= yellow master= {sheet 1} <1.846>{tyr 869 hn} P 26.494 61.841 15.535 {phe 889 o} 27.538 62.006 16.278 <1.939>{val 871 hn} P 27.566 55.232 14.358 {glu 887 o} 27.866 55.341 15.677 <2.004>{leu 873 hn} P 29.047 48.766 12.637 {ala 885 o} 29.043 48.954 14.027 <2.111>{ala 885 hn} P 28.828 46.47 14.1 {leu 873 o} 29.282 46.308 12.703 <2.049>{glu 887 hn} P 28.389 53.127 16.036 {val 871 o} 28.042 52.933 14.658 <2.129>{phe 889 hn} P 28.068 59.945 16.815 {tyr 869 o} 26.949 59.418 15.983 <2.035>{thr 891 hn} P 28.314 66.141 15.101 {thr 867 o} 26.992 65.619 15.005 @vectorlist {ncap4} color= blue master= {sheet 1} {ca pro 884}26.848 44.943 13.907 {ca ala 885}29.066 47.13 16.115 @vectorlist {ccap4} color= red master= {sheet 1} {ca thr 890}28.888 64.59 17.129 {ca thr 891}30.109 67.194 14.602 @group {strand 5} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 1-2} instance= {hb1-2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {str3} instance= {strand3} @vectorlist {hb 1-3} instance= {hb1-3} @vectorlist {nc3} instance= {ncap3} @vectorlist {cc3} instance= {ccap3} @vectorlist {lp3} instance= {loop3} @vectorlist {str4} instance= {strand4} @vectorlist {hb 3-4} instance= {hb3-4} @vectorlist {nc4} instance= {ncap4} @vectorlist {cc4} instance= {ccap4} @vectorlist {strand5} color= cyan master= {sheet 2} {ca pro 806}P 35.651 44.839 13.353 {ca ser 807}37.434 45.777 16.605 {ca gln 808}38.721 49.017 18.148 {ca ile 809}36.423 51.242 16.125 {ca glu 810}37.286 54.854 16.724 {ca val 811}35.899 58.053 15.176 {ca lys 812}38.688 60.715 15.08 {ca asp 813}39.518 64.032 13.365 {ca val 814}35.93 65.326 13.6 {ca thr 815}35.23 68.796 12.241 {ca asp 816}31.846 70.545 11.749 @vectorlist {ncap5} color= blue master= {sheet 2} {ca pro 806}P 35.651 44.839 13.353 {ca ser 807}37.434 45.777 16.605 @vectorlist {ccap5} color= red master= {sheet 2} {ca thr 815}P 35.23 68.796 12.241 {ca asp 816}31.846 70.545 11.749 @group {loop 5} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 1-2} instance= {hb1-2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {str3} instance= {strand3} @vectorlist {hb 1-3} instance= {hb1-3} @vectorlist {nc3} instance= {ncap3} @vectorlist {cc3} instance= {ccap3} @vectorlist {lp3} instance= {loop3} @vectorlist {str4} instance= {strand4} @vectorlist {hb 3-4} instance= {hb3-4} @vectorlist {nc4} instance= {ncap4} @vectorlist {cc4} instance= {ccap4} @vectorlist {str5} instance= {strand5} @vectorlist {nc5} instance= {ncap5} @vectorlist {cc5} instance= {ccap5} @vectorlist {loop5} color= yellowtint master= {loops} {ca asp 816}P 31.846 70.545 11.749 {ca thr 817}31.443 68.664 8.456 @group {strand 6} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 1-2} instance= {hb1-2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {str3} instance= {strand3} @vectorlist {hb 1-3} instance= {hb1-3} @vectorlist {nc3} instance= {ncap3} @vectorlist {cc3} instance= {ccap3} @vectorlist {lp3} instance= {loop3} @vectorlist {str4} instance= {strand4} @vectorlist {hb 3-4} instance= {hb3-4} @vectorlist {nc4} instance= {ncap4} @vectorlist {cc4} instance= {ccap4} @vectorlist {str5} instance= {strand5} @vectorlist {nc5} instance= {ncap5} @vectorlist {cc5} instance= {ccap5} @vectorlist {lp5} instance= {loop5} @vectorlist {strand6} color= cyan master= {sheet 2} {ca thr 817}P 31.443 68.664 8.456 {ca thr 818}33.927 65.691 8.34 {ca ala 819}35.012 62.617 10.39 {ca leu 820}37.504 59.697 10.009 {ca ile 821}36.33 56.169 11.068 {ca thr 822}39.146 53.637 11.767 {ca trp 823}39.036 50.027 12.959 {ca phe 824}41.086 46.843 13.249 {ca lys 825}40.49 44.163 10.636 @vectorlist {hb5-6} nobutton color= yellow master= {sheet 2} <2.298>{ser 807 hn} P 37.918 45.185 14.61 {phe 824 o} 38.811 45.4 13.29 <2.093>{glu 810 hn} P 37.42 53.362 15.222 {thr 822 o} 37.745 52.737 13.938 <1.894>{lys 812 hn} P 37.59 59.478 13.71 {leu 820 o} 37.247 58.88 12.577 <1.965>{thr 815 hn} P 34.926 66.764 11.748 {thr 818 o} 34.409 65.726 11.008 <2.772>{thr 818 hn} P 33.516 67.404 9.545 {thr 815 o} 33.114 67.886 11.381 <1.968>{leu 820 hn} P 36.935 61.135 11.434 {lys 812 o} 37.632 61.549 12.548 <1.965>{thr 822 hn} P 37.636 54.724 12.813 {glu 810 o} 37.311 55.374 13.981 <1.797>{phe 824 hn} P 39.386 47.805 14.082 {ser 807 o} 38.774 47.72 15.177 @vectorlist {ncap6} color= blue master= {sheet 2} {ca thr 817}P 31.443 68.664 8.456 {ca thr 818}33.927 65.691 8.34 @vectorlist {ccap6} color= red master= {sheet 2} {ca phe 824}P 41.086 46.843 13.249 {ca lys 825}40.49 44.163 10.636 @group {loop 6} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 1-2} instance= {hb1-2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {str3} instance= {strand3} @vectorlist {hb 1-3} instance= {hb1-3} @vectorlist {nc3} instance= {ncap3} @vectorlist {cc3} instance= {ccap3} @vectorlist {lp3} instance= {loop3} @vectorlist {str4} instance= {strand4} @vectorlist {hb 3-4} instance= {hb3-4} @vectorlist {nc4} instance= {ncap4} @vectorlist {cc4} instance= {ccap4} @vectorlist {str5} instance= {strand5} @vectorlist {nc5} instance= {ncap5} @vectorlist {cc5} instance= {ccap5} @vectorlist {lp5} instance= {loop5} @vectorlist {str6} instance= {strand6} @vectorlist {hb 5-6} instance= {hb5-6} @vectorlist {nc6} instance= {ncap6} @vectorlist {cc6} instance= {ccap6} @vectorlist {loop6} color= yellowtint master= {loops} {ca lys 825}P 40.49 44.163 10.636 {ca pro 826}38.32 41.193 11.857 {ca leu 827}40.265 38.026 12.789 {ca ala 828}38.405 35.813 10.351 {ca glu 829}39.005 36.188 6.608 {ca ile 830}36.194 38.269 5.113 {ca asp 831}35.179 39.628 1.649 @group {strand 7} dominant animate @vectorlist {str1} instance= {strand1} @vectorlist {nc1} instance= {ncap1} @vectorlist {cc1} instance= {ccap1} @vectorlist {lp1} instance= {loop1} @vectorlist {str2} instance= {strand2} @vectorlist {hb 1-2} instance= {hb1-2} @vectorlist {nc2} instance= {ncap2} @vectorlist {cc2} instance= {ccap2} @vectorlist {lp2} instance= {loop2} @vectorlist {str3} instance= {strand3} @vectorlist {hb 1-3} instance= {hb1-3} @vectorlist {nc3} instance= {ncap3} @vectorlist {cc3} instance= {ccap3} @vectorlist {lp3} instance= {loop3} @vectorlist {str4} instance= {strand4} @vectorlist {hb 3-4} instance= {hb3-4} @vectorlist {nc4} instance= {ncap4} @vectorlist {cc4} instance= {ccap4} @vectorlist {str5} instance= {strand5} @vectorlist {nc5} instance= {ncap5} @vectorlist {cc5} instance= {ccap5} @vectorlist {lp5} instance= {loop5} @vectorlist {str6} instance= {strand6} @vectorlist {hb 5-6} instance= {hb5-6} @vectorlist {nc6} instance= {ncap6} @vectorlist {cc6} instance= {ccap6} @vectorlist {lp6} instance= {loop6} @vectorlist {strand7} color= cyan master= {sheet 2} {ca asn 856}P 40.804 49.853 7.585 {ca gln 857}39.607 53.523 7.586 {ca tyr 858}36.981 55.685 5.849 {ca ser 859}36.812 59.47 5.594 {ca ile 860}33.295 61.002 5.61 {ca gly 861}32.504 64.551 4.379 {ca asn 862}29.538 66.887 3.87 @vectorlist {hb5-7} nobutton color= yellow master= {sheet 2} <2.169>{ala 819 hn} P 34.659 63.227 8.391 {ile 860 o} 34.085 63.182 6.986 <1.883>{ile 821 hn} P 36.693 57.307 9.306 {tyr 858 o} 36.547 57.366 7.997 <2.247>{trp 823 hn} P 40.009 51.195 11.469 {asn 856 o} 40.264 51.397 9.93 <2.023>{tyr 858 hn} P 37.863 55.461 7.754 {ile 821 o} 37.93 55.154 9.134 <1.879>{ile 860 hn} P 34.993 60.762 6.867 {ala 819 o} 35.419 61.006 8.087 @vectorlist {ncap7} color= blue master= {sheet 2} {ca asn 856}P 40.804 49.853 7.585 {ca gln 857}39.607 53.523 7.586 @vectorlist {ccap7} color= red master= {sheet 2} {ca gly 861}P 32.504 64.551 4.379 {ca asn 862}29.538 66.887 3.87