==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN INHIBITOR 10-OCT-02 1N02 . COMPND 2 MOLECULE: CYANOVIRIN-N; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; . AUTHOR L.G.BARRIENTOS,A.M.GRONENBORN . 102 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 38.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -1 A G 0 0 109 0, 0.0 89,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 133.3 3.8 -2.7 -0.1 2 1 A L - 0 0 122 87,-0.1 2,-0.3 90,-0.1 100,-0.1 -0.015 360.0 -47.6-144.7 30.5 3.5 -2.3 -3.8 3 2 A G - 0 0 15 1,-0.1 91,-0.3 98,-0.1 87,-0.2 -0.811 53.9-172.4 143.8 -98.5 6.3 -4.4 -5.2 4 3 A K + 0 0 103 85,-3.6 90,-0.3 88,-0.5 4,-0.2 0.995 13.9 165.3 65.9 80.6 9.8 -4.0 -3.7 5 4 A F S > S+ 0 0 0 87,-0.5 3,-1.3 84,-0.3 4,-0.5 0.803 71.1 62.5 -92.3 -36.6 12.2 -6.0 -5.9 6 5 A I T 3 S+ 0 0 48 1,-0.3 3,-0.1 2,-0.2 -1,-0.1 0.715 96.0 63.4 -63.0 -19.4 15.4 -4.5 -4.6 7 6 A E T 3 S+ 0 0 144 1,-0.2 -1,-0.3 82,-0.1 -2,-0.2 0.790 117.5 25.7 -75.6 -27.2 14.6 -5.9 -1.2 8 7 A T S < S+ 0 0 47 -3,-1.3 17,-1.7 -4,-0.2 2,-0.3 0.169 116.4 75.9-118.8 14.1 14.7 -9.5 -2.5 9 8 A a E -A 24 0A 13 -4,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.944 54.2-171.6-129.7 151.3 17.1 -8.9 -5.4 10 9 A R E +A 23 0A 145 13,-2.3 13,-1.8 -2,-0.3 -3,-0.0 -0.806 59.7 38.2-132.6 172.8 20.8 -8.4 -5.8 11 10 A N E S- 0 0 76 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.926 71.3-170.9 49.2 56.1 23.4 -7.4 -8.4 12 11 A T E + 0 0 24 -3,-0.2 55,-0.5 10,-0.1 2,-0.3 -0.598 16.1 152.1 -79.2 134.1 21.1 -4.8 -10.1 13 12 A Q E -A 21 0A 116 8,-1.6 8,-2.0 -2,-0.3 2,-0.4 -0.983 42.9-103.4-157.3 163.4 22.4 -3.5 -13.4 14 13 A L E -A 20 0A 34 51,-0.3 2,-0.3 -2,-0.3 6,-0.3 -0.776 29.8-166.1 -97.4 136.6 21.4 -2.0 -16.7 15 14 A A E > -A 19 0A 32 4,-4.1 4,-1.0 -2,-0.4 3,-0.1 -0.904 54.4 -17.5-120.1 146.3 21.5 -4.1 -19.9 16 15 A G T 4 S- 0 0 59 -2,-0.3 3,-0.2 1,-0.2 47,-0.1 -0.177 109.6 -50.7 57.2-152.6 21.2 -2.8 -23.4 17 16 A S T 4 S+ 0 0 77 1,-0.2 -1,-0.2 45,-0.1 46,-0.1 0.842 137.0 10.2 -86.5 -36.4 19.9 0.7 -23.9 18 17 A S T 4 S+ 0 0 6 -3,-0.1 21,-1.5 38,-0.0 20,-0.8 -0.508 99.6 109.7-144.7 72.2 16.7 0.2 -21.8 19 18 A E E < -AB 15 37A 48 -4,-1.0 -4,-4.1 -3,-0.2 2,-0.5 -0.997 44.2-157.0-146.1 141.2 16.9 -3.1 -19.9 20 19 A L E -AB 14 36A 2 16,-2.9 16,-3.5 -2,-0.3 2,-0.4 -0.968 14.2-176.1-121.5 121.0 17.4 -4.0 -16.2 21 20 A A E +AB 13 35A 23 -8,-2.0 -8,-1.6 -2,-0.5 2,-0.3 -0.904 14.5 145.1-117.4 144.3 18.8 -7.4 -15.3 22 21 A A E - B 0 34A 2 12,-3.2 12,-3.2 -2,-0.4 2,-0.4 -0.971 43.9-105.9-161.6 172.5 19.2 -8.9 -11.8 23 22 A E E -AB 10 33A 59 -13,-1.8 -13,-2.3 -2,-0.3 2,-0.4 -0.927 33.5-171.6-112.8 133.2 19.1 -12.0 -9.7 24 23 A a E -AB 9 32A 0 8,-2.3 8,-2.0 -2,-0.4 -15,-0.2 -0.984 24.9-115.1-131.0 136.4 16.2 -12.6 -7.4 25 24 A K E - B 0 31A 83 -17,-1.7 72,-0.4 -2,-0.4 6,-0.3 -0.433 31.4-143.3 -68.0 135.2 15.6 -15.2 -4.7 26 25 A T > - 0 0 27 4,-3.8 3,-1.8 70,-0.2 71,-0.1 -0.138 37.1 -81.8 -87.0-175.4 12.7 -17.6 -5.4 27 26 A R T 3 S+ 0 0 210 1,-0.3 -2,-0.1 2,-0.2 -1,-0.0 0.818 129.7 55.0 -59.2 -33.7 10.2 -19.1 -2.9 28 27 A A T 3 S- 0 0 71 2,-0.1 -1,-0.3 68,-0.1 3,-0.1 0.261 124.3-102.2 -84.4 11.7 12.7 -21.8 -1.9 29 28 A Q S < S+ 0 0 159 -3,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.893 78.6 140.7 67.1 41.9 15.4 -19.2 -1.1 30 29 A Q - 0 0 126 -4,-0.1 -4,-3.8 -6,-0.1 2,-0.5 -0.950 49.8-132.8-116.7 132.6 17.1 -19.9 -4.4 31 30 A F E +B 25 0A 98 -2,-0.4 2,-0.3 -6,-0.3 -6,-0.3 -0.761 30.7 179.0 -90.7 124.2 18.6 -17.0 -6.4 32 31 A V E -B 24 0A 52 -8,-2.0 -8,-2.3 -2,-0.5 2,-0.4 -0.835 33.4 -99.2-122.3 160.9 17.8 -17.0 -10.1 33 32 A S E +B 23 0A 101 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.657 48.9 164.6 -81.5 126.5 18.5 -14.8 -13.1 34 33 A T E -B 22 0A 12 -12,-3.2 -12,-3.2 -2,-0.4 2,-0.3 -0.957 17.5-161.9-140.4 157.5 15.7 -12.4 -14.1 35 34 A K E -B 21 0A 122 -2,-0.3 2,-0.5 -14,-0.3 -14,-0.3 -0.999 7.5-156.4-145.9 142.3 15.3 -9.3 -16.2 36 35 A I E -B 20 0A 9 -16,-3.5 -16,-2.9 -2,-0.3 2,-0.6 -0.968 19.5-136.7-118.6 126.6 12.8 -6.4 -16.5 37 36 A N E -B 19 0A 47 -2,-0.5 4,-0.3 -18,-0.2 -18,-0.2 -0.740 18.7-177.9 -87.3 118.6 12.6 -4.5 -19.8 38 37 A L > + 0 0 1 -20,-0.8 4,-1.8 -2,-0.6 18,-0.3 0.617 68.2 82.7 -87.6 -16.0 12.3 -0.7 -19.2 39 38 A D T 4 S+ 0 0 27 -21,-1.5 15,-0.2 1,-0.2 -1,-0.2 0.911 104.5 29.1 -56.1 -45.4 12.0 0.1 -22.9 40 39 A D T 4 S+ 0 0 81 -22,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.570 130.7 41.9 -91.4 -10.3 8.2 -0.6 -23.0 41 40 A H T 4 S+ 0 0 52 -4,-0.3 11,-1.9 12,-0.1 -2,-0.2 0.876 111.5 47.3 -97.3 -64.2 7.8 0.4 -19.3 42 41 A I E < -C 51 0B 2 -4,-1.8 14,-0.7 9,-0.2 12,-0.3 -0.479 68.6-177.6 -81.0 151.3 9.9 3.5 -18.8 43 42 A A E -C 50 0B 0 7,-2.6 7,-1.7 12,-0.2 2,-0.6 -0.872 29.4-107.7-141.1 172.2 9.8 6.5 -21.2 44 43 A N E -C 49 0B 28 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.919 28.5-176.5-111.3 110.9 11.3 9.9 -21.8 45 44 A I E > S-C 48 0B 54 3,-3.1 3,-1.1 -2,-0.6 29,-0.0 -0.812 74.9 -38.2-110.4 92.3 9.1 12.8 -21.0 46 45 A D T 3 S- 0 0 88 -2,-0.7 -1,-0.1 1,-0.3 32,-0.1 0.863 122.2 -46.2 62.6 37.2 10.9 16.1 -21.9 47 46 A G T 3 S+ 0 0 3 1,-0.3 2,-0.4 29,-0.2 27,-0.3 0.458 120.7 111.2 85.3 0.8 14.2 14.8 -20.7 48 47 A T E < S-C 45 0B 66 -3,-1.1 -3,-3.1 27,-0.1 2,-0.6 -0.909 72.0-119.4-113.2 135.5 12.6 13.4 -17.5 49 48 A L E +C 44 0B 10 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.610 46.8 156.7 -77.0 118.7 12.2 9.7 -16.7 50 49 A K E -C 43 0B 107 -7,-1.7 -7,-2.6 -2,-0.6 2,-0.6 -0.908 47.2 -94.1-137.1 162.5 8.5 8.9 -16.3 51 50 A W E +C 42 0B 102 -2,-0.3 -9,-0.2 -9,-0.2 -10,-0.1 -0.710 66.8 119.8 -85.5 119.1 6.4 5.7 -16.6 52 51 A Q S S- 0 0 94 -11,-1.9 2,-3.1 -2,-0.6 -2,-0.1 -0.880 73.3 -95.3-174.9 141.2 4.8 5.3 -20.1 53 52 A P S S+ 0 0 118 0, 0.0 2,-0.3 0, 0.0 -12,-0.1 -0.302 89.7 99.8 -66.1 70.2 4.9 2.8 -23.0 54 53 A S S S- 0 0 35 -2,-3.1 2,-1.0 -12,-0.3 -2,-0.2 -0.974 78.6-112.2-155.1 137.3 7.6 4.7 -24.9 55 54 A N > - 0 0 67 -2,-0.3 3,-2.3 1,-0.2 -12,-0.2 -0.651 18.9-166.8 -80.9 104.2 11.3 4.0 -25.1 56 55 A F G >> S+ 0 0 0 -2,-1.0 3,-3.4 -14,-0.7 4,-0.7 0.842 81.6 80.2 -51.9 -36.6 13.2 6.8 -23.4 57 56 A S G 34 S+ 0 0 32 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.702 75.8 73.0 -45.8 -25.1 16.3 5.4 -25.1 58 57 A Q G <4 S+ 0 0 163 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.731 116.2 20.1 -66.3 -20.2 15.2 7.2 -28.2 59 58 A T T <4 S+ 0 0 47 -3,-3.4 16,-3.0 -4,-0.2 2,-0.3 0.237 119.2 75.8-128.7 6.7 16.2 10.5 -26.5 60 59 A b E < -D 74 0C 12 -4,-0.7 2,-0.3 14,-0.3 14,-0.2 -0.929 50.9-179.3-126.4 149.7 18.6 9.1 -23.9 61 60 A Y E +D 73 0C 95 12,-2.1 12,-1.3 -2,-0.3 -3,-0.0 -0.954 61.0 35.5-142.4 157.9 22.1 7.8 -23.9 62 61 A N E S- 0 0 126 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.930 74.6-168.2 63.4 46.7 24.6 6.3 -21.4 63 62 A S E + 0 0 20 9,-0.2 2,-0.3 -3,-0.1 9,-0.3 -0.467 9.3 177.3 -69.4 135.1 21.8 4.6 -19.4 64 63 A A E -D 71 0C 43 7,-3.7 7,-3.3 -2,-0.2 2,-0.4 -0.990 16.2-155.9-142.0 150.0 23.0 3.3 -16.1 65 64 A I E -D 70 0C 18 -2,-0.3 2,-0.4 5,-0.2 -51,-0.3 -0.977 7.9-178.0-130.4 142.4 21.4 1.6 -13.1 66 65 A Q E > -D 69 0C 147 3,-2.4 3,-1.7 -2,-0.4 2,-0.3 -0.943 64.0 -47.7-139.6 111.9 22.4 1.4 -9.4 67 66 A G T 3 S- 0 0 28 -55,-0.5 -54,-0.0 -2,-0.4 -57,-0.0 -0.481 119.7 -22.3 66.8-123.0 20.3 -0.7 -7.0 68 67 A S T 3 S+ 0 0 19 -2,-0.3 20,-2.0 -56,-0.1 2,-0.4 0.493 121.6 84.5-100.4 -5.6 16.6 0.1 -7.5 69 68 A V E < -DE 66 87C 49 -3,-1.7 -3,-2.4 18,-0.2 2,-0.5 -0.806 68.2-142.1-102.8 139.9 17.1 3.5 -9.1 70 69 A L E -DE 65 86C 0 16,-2.3 16,-1.2 -2,-0.4 2,-0.5 -0.863 13.2-166.6-102.3 127.0 17.7 4.1 -12.8 71 70 A T E +DE 64 85C 45 -7,-3.3 -7,-3.7 -2,-0.5 2,-0.3 -0.954 21.2 149.0-116.0 124.0 20.2 6.8 -13.9 72 71 A S E - E 0 84C 1 12,-1.5 12,-1.8 -2,-0.5 2,-0.5 -0.995 43.4-116.8-151.5 153.4 20.3 7.9 -17.5 73 72 A T E -DE 61 83C 30 -12,-1.3 -12,-2.1 -2,-0.3 2,-0.4 -0.812 35.7-176.5 -95.7 126.5 21.0 11.0 -19.6 74 73 A b E -DE 60 82C 0 8,-3.3 8,-2.5 -2,-0.5 -14,-0.3 -0.956 26.4-114.8-126.9 145.8 18.1 12.3 -21.6 75 74 A E E - E 0 81C 83 -16,-3.0 2,-0.3 -2,-0.4 6,-0.2 -0.496 30.0-130.1 -75.0 139.1 17.6 15.2 -24.1 76 75 A R > - 0 0 127 4,-1.0 3,-3.0 -2,-0.2 -29,-0.2 -0.662 18.0-119.4 -91.3 145.0 15.4 18.0 -23.2 77 76 A T T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.804 116.1 55.4 -51.5 -32.1 12.6 19.2 -25.6 78 77 A N T 3 S- 0 0 160 1,-0.2 -1,-0.3 -32,-0.1 -3,-0.0 0.403 126.4 -92.9 -83.6 4.6 14.3 22.7 -25.6 79 78 A G S < S+ 0 0 44 -3,-3.0 2,-0.2 1,-0.2 -1,-0.2 0.296 81.9 72.5 93.2 136.9 17.6 21.1 -26.7 80 79 A G S S- 0 0 37 -4,-0.1 -4,-1.0 -3,-0.1 2,-0.4 -0.683 73.6 -76.5 119.5-174.6 20.5 19.8 -24.7 81 80 A Y E +E 75 0C 155 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.982 40.5 167.0-130.6 140.9 21.2 16.9 -22.4 82 81 A N E -E 74 0C 77 -8,-2.5 -8,-3.3 -2,-0.4 2,-0.4 -0.956 24.8-138.2-154.2 131.0 20.2 16.1 -18.8 83 82 A T E -E 73 0C 66 -10,-0.3 2,-0.3 -2,-0.3 -10,-0.3 -0.755 21.4-168.5 -93.7 134.7 20.2 13.0 -16.7 84 83 A S E -E 72 0C 17 -12,-1.8 -12,-1.5 -2,-0.4 2,-0.4 -0.835 9.7-141.4-120.2 158.0 17.3 12.1 -14.5 85 84 A S E +E 71 0C 87 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.936 17.5 178.3-122.5 144.5 16.8 9.6 -11.7 86 85 A I E -E 70 0C 16 -16,-1.2 -16,-2.3 -2,-0.4 2,-0.6 -0.999 24.4-131.9-145.8 143.2 13.8 7.4 -10.8 87 86 A D E +E 69 0C 84 -2,-0.3 3,-0.3 -18,-0.2 -18,-0.2 -0.844 20.7 175.8 -98.9 120.1 13.0 4.8 -8.2 88 87 A L >> + 0 0 1 -20,-2.0 4,-2.4 -2,-0.6 3,-0.6 0.443 49.9 108.7-100.3 -3.6 11.3 1.6 -9.6 89 88 A N T 34 S+ 0 0 24 -21,-0.3 -85,-3.6 1,-0.3 -84,-0.3 0.782 87.3 45.4 -44.7 -29.0 11.2 -0.4 -6.3 90 89 A S T 34 S+ 0 0 64 -3,-0.3 -1,-0.3 -87,-0.2 -2,-0.1 0.851 115.3 43.6 -84.0 -39.3 7.4 0.2 -6.4 91 90 A V T <4 S+ 0 0 20 -3,-0.6 11,-1.3 -4,-0.2 2,-0.2 0.941 109.3 57.7 -73.2 -49.2 6.8 -0.6 -10.1 92 91 A I E < -F 101 0D 3 -4,-2.4 -88,-0.5 9,-0.2 -87,-0.5 -0.568 68.1-174.8 -85.1 147.6 8.9 -3.8 -10.4 93 92 A E E -F 100 0D 65 7,-1.8 7,-2.6 -2,-0.2 2,-0.8 -0.915 28.7-115.5-137.5 163.0 8.3 -6.8 -8.1 94 93 A N E -F 99 0D 30 -91,-0.3 2,-0.9 -2,-0.3 5,-0.2 -0.844 30.7-178.0-107.1 100.2 9.9 -10.1 -7.5 95 94 A V S S- 0 0 47 3,-3.6 -69,-0.1 -2,-0.8 -71,-0.0 -0.812 73.8 -41.6-100.4 98.6 7.6 -12.9 -8.5 96 95 A D S S- 0 0 91 -2,-0.9 -70,-0.2 1,-0.2 -1,-0.2 0.822 128.5 -35.5 53.4 33.7 9.1 -16.3 -7.7 97 96 A G S S+ 0 0 3 -72,-0.4 2,-0.4 1,-0.3 -73,-0.3 0.747 120.6 106.4 92.8 27.0 12.5 -15.0 -9.0 98 97 A S S S- 0 0 60 -73,-0.1 -3,-3.6 -64,-0.1 2,-0.4 -0.996 70.0-119.9-141.8 134.0 11.1 -12.8 -11.8 99 98 A L E -F 94 0D 14 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.576 36.2-173.8 -74.2 122.7 10.8 -9.0 -12.1 100 99 A K E -F 93 0D 116 -7,-2.6 -7,-1.8 -2,-0.4 2,-1.5 -0.942 29.1-129.8-122.6 143.1 7.1 -8.0 -12.6 101 100 A Y E F 92 0D 91 -2,-0.4 -9,-0.2 -9,-0.2 -10,-0.1 -0.620 360.0 360.0 -90.0 78.6 5.6 -4.6 -13.3 102 101 A E 0 0 167 -2,-1.5 -1,-0.1 -11,-1.3 -10,-0.0 -0.282 360.0 360.0-179.8 360.0 2.9 -4.5 -10.6