==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIVIRAL PROTEIN 06-MAY-02 1LOM . COMPND 2 MOLECULE: CYANOVIRIN-N; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; . AUTHOR I.BOTOS,T.MORI,L.K.CARTNER,M.R.BOYD,A.WLODAWER . 101 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 68.3 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 . 40 39.6 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 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 . 15 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 4.0 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 0 2 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 L 0 0 214 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.2 26.3 0.7 -5.0 2 2 A G + 0 0 76 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.537 360.0 153.8 76.8-119.1 25.0 4.1 -4.0 3 3 A K > + 0 0 170 -2,-0.5 3,-1.4 1,-0.1 4,-0.3 0.694 18.7 150.1 59.2 27.0 25.2 6.9 -6.6 4 4 A F G > + 0 0 94 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.860 60.3 69.5 -55.8 -39.4 22.2 8.8 -5.1 5 5 A S G > S+ 0 0 77 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.756 85.5 68.1 -53.4 -26.5 23.6 12.2 -6.2 6 6 A Q G < S+ 0 0 160 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.748 113.4 26.6 -69.0 -22.6 23.1 11.4 -9.9 7 7 A T G < S+ 0 0 68 -3,-1.7 16,-2.6 -4,-0.3 2,-0.3 0.122 112.0 74.6-125.9 22.0 19.2 11.5 -9.7 8 8 A a E < -A 22 0A 20 -3,-0.7 2,-0.3 -4,-0.3 14,-0.2 -0.873 52.3-170.4-129.7 164.3 18.6 13.8 -6.7 9 9 A Y E +A 21 0A 111 12,-2.3 12,-2.5 -2,-0.3 -3,-0.0 -0.958 60.7 40.1-149.3 165.9 18.9 17.6 -6.0 10 10 A N E S+ 0 0 127 -2,-0.3 -1,-0.1 10,-0.2 2,-0.1 0.866 73.3 176.5 60.9 39.3 18.8 20.1 -3.1 11 11 A S E + 0 0 58 9,-0.1 2,-0.3 -3,-0.1 9,-0.2 -0.435 2.8 172.4 -73.3 151.0 20.8 17.7 -0.9 12 12 A A E -A 19 0A 56 7,-2.2 7,-2.5 -2,-0.1 2,-0.4 -0.988 24.5-144.2-157.5 153.0 21.8 18.9 2.6 13 13 A I E +A 18 0A 120 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.984 16.0 176.0-124.1 130.6 23.5 17.6 5.7 14 14 A Q E > -A 17 0A 163 3,-2.0 3,-2.3 -2,-0.4 2,-0.3 -0.986 68.6 -44.4-132.6 118.0 22.4 18.7 9.2 15 15 A G T 3 S- 0 0 81 -2,-0.4 20,-0.0 1,-0.3 -2,-0.0 -0.439 125.4 -21.5 63.1-119.6 24.2 16.9 12.0 16 16 A S T 3 S+ 0 0 31 -2,-0.3 20,-3.0 -3,-0.1 2,-0.5 0.389 116.7 100.1-102.2 -4.4 24.2 13.2 11.1 17 17 A V E < -AB 14 35A 45 -3,-2.3 -3,-2.0 18,-0.3 2,-0.4 -0.776 52.7-160.3 -98.9 126.6 21.3 13.4 8.7 18 18 A L E -AB 13 34A 27 16,-2.8 16,-2.4 -2,-0.5 2,-0.4 -0.828 14.1-176.3 -98.6 130.4 21.4 13.6 4.8 19 19 A T E +AB 12 33A 42 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.3 -0.978 9.7 160.5-126.5 143.2 18.2 14.9 3.2 20 20 A S E - B 0 32A 5 12,-2.0 12,-2.1 -2,-0.4 2,-0.7 -0.989 39.6-120.2-159.3 156.8 17.7 15.1 -0.6 21 21 A T E -AB 9 31A 19 -12,-2.5 -12,-2.3 -2,-0.3 2,-0.3 -0.897 41.5-166.2-104.7 113.5 14.9 15.4 -3.2 22 22 A a E -AB 8 30A 31 8,-3.1 8,-2.0 -2,-0.7 -14,-0.2 -0.800 22.9-110.9-114.8 149.4 15.0 12.4 -5.5 23 23 A E E - B 0 29A 105 -16,-2.6 6,-0.2 -2,-0.3 2,-0.2 -0.460 30.9-141.8 -69.5 129.8 13.6 11.3 -8.8 24 24 A R > - 0 0 126 4,-2.8 3,-0.6 -2,-0.2 4,-0.1 -0.573 19.0-121.5 -88.7 155.5 11.0 8.4 -8.7 25 25 A T T 3 S+ 0 0 147 1,-0.3 2,-1.3 -2,-0.2 -1,-0.1 0.941 111.3 54.9 -64.0 -40.3 11.0 5.8 -11.3 26 26 A N T 3 S- 0 0 129 1,-0.2 -1,-0.3 -3,-0.0 3,-0.1 -0.456 124.3 -85.8 -92.4 63.8 7.4 6.7 -12.1 27 27 A G S < S+ 0 0 49 -2,-1.3 -1,-0.2 -3,-0.6 -2,-0.1 0.418 91.3 67.6 52.3 159.4 7.9 10.4 -12.8 28 28 A G S S- 0 0 41 -3,-0.1 -4,-2.8 -5,-0.1 2,-0.3 -0.008 73.7 -99.0 84.6 163.2 7.8 12.9 -10.0 29 29 A Y E -B 23 0A 105 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.789 22.2-157.3-121.1 164.1 10.2 13.6 -7.1 30 30 A N E -B 22 0A 83 -8,-2.0 -8,-3.1 -2,-0.3 2,-0.5 -0.987 10.9-142.7-143.8 133.9 10.2 12.6 -3.4 31 31 A T E +B 21 0A 85 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.849 33.9 158.8 -99.6 127.9 12.0 14.2 -0.5 32 32 A S E -B 20 0A 64 -12,-2.1 -12,-2.0 -2,-0.5 2,-0.3 -0.931 26.4-139.0-143.2 165.8 13.4 11.9 2.1 33 33 A S E -B 19 0A 76 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.914 7.7-167.7-128.9 156.4 16.1 11.7 4.9 34 34 A I E -B 18 0A 100 -16,-2.4 -16,-2.8 -2,-0.3 2,-0.7 -0.992 20.1-134.1-144.5 132.7 18.6 9.1 6.1 35 35 A D E -B 17 0A 89 -2,-0.3 3,-0.5 -18,-0.2 -18,-0.3 -0.816 15.5-172.2 -91.9 112.1 20.7 9.2 9.4 36 36 A L >> + 0 0 38 -20,-3.0 4,-1.3 -2,-0.7 3,-0.8 0.530 56.9 103.0 -80.7 -7.4 24.3 8.4 8.7 37 37 A N T 34 S+ 0 0 111 -21,-0.3 -1,-0.2 1,-0.2 3,-0.2 0.823 87.5 34.4 -45.5 -46.3 25.3 8.2 12.4 38 38 A S T 34 S+ 0 0 84 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.644 117.0 51.3 -89.6 -16.2 25.4 4.4 12.7 39 39 A V T <4 S+ 0 0 63 -3,-0.8 11,-3.0 -4,-0.2 2,-0.4 0.489 107.5 57.9 -98.5 -2.3 26.7 3.5 9.2 40 40 A I E < -C 49 0B 40 -4,-1.3 2,-0.3 9,-0.3 9,-0.2 -0.995 69.6-170.5-128.0 132.1 29.7 5.9 9.3 41 41 A E E -C 48 0B 64 7,-2.8 7,-2.4 -2,-0.4 2,-0.7 -0.826 24.3-123.3-121.4 161.2 32.3 5.7 12.0 42 42 A N E -C 47 0B 116 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.898 27.7-175.3-105.9 109.2 35.2 7.9 13.1 43 43 A V E > S-C 46 0B 63 3,-2.5 3,-1.5 -2,-0.7 -2,-0.0 -0.867 70.9 -39.5-110.2 101.6 38.5 5.9 13.0 44 44 A D T 3 S- 0 0 169 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.853 126.3 -39.4 52.8 40.6 41.4 7.8 14.4 45 45 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.293 118.3 98.9 98.2 -11.5 40.2 11.0 12.7 46 46 A S E < S-C 43 0B 54 -3,-1.5 -3,-2.5 0, 0.0 2,-0.3 -0.929 71.1-122.6-118.0 136.8 38.9 9.7 9.4 47 47 A L E +C 42 0B 142 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.556 39.3 174.1 -72.1 127.1 35.3 9.0 8.5 48 48 A K E -C 41 0B 114 -7,-2.4 -7,-2.8 -2,-0.3 2,-0.2 -0.925 39.4 -95.0-131.8 157.3 35.1 5.4 7.3 49 49 A W E -C 40 0B 189 -2,-0.3 -9,-0.3 -9,-0.2 -10,-0.1 -0.566 55.6 -96.2 -75.0 138.4 32.1 3.3 6.4 50 50 A Q - 0 0 87 -11,-3.0 -1,-0.1 -2,-0.2 -11,-0.1 -0.220 49.7 -95.2 -54.4 143.4 30.9 1.2 9.4 51 51 A S - 0 0 86 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.173 45.9 -95.3 -63.6 152.3 32.3 -2.2 9.4 52 52 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.152 55.4 -74.7 -64.3 161.3 30.2 -5.1 8.0 53 53 A N > - 0 0 114 1,-0.1 3,-1.4 2,-0.1 4,-0.4 -0.332 45.2-126.8 -54.6 140.2 28.1 -7.3 10.2 54 54 A F G >> S+ 0 0 109 1,-0.3 3,-1.2 2,-0.2 4,-0.7 0.778 104.4 70.1 -67.6 -22.5 30.5 -9.6 12.0 55 55 A I G 34 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.664 88.7 67.2 -68.1 -11.0 28.6 -12.7 10.9 56 56 A E G <4 S+ 0 0 119 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.774 116.6 21.8 -77.8 -28.3 29.9 -12.1 7.4 57 57 A T T <4 S+ 0 0 46 -3,-1.2 17,-2.7 -4,-0.4 2,-0.3 0.207 116.5 70.9-124.6 14.0 33.5 -12.7 8.4 58 58 A b E < -D 73 0C 16 -4,-0.7 2,-0.3 15,-0.2 15,-0.2 -0.957 55.5-173.9-132.3 151.1 33.1 -14.9 11.5 59 59 A R E +D 72 0C 122 13,-2.8 13,-2.5 -2,-0.3 -3,-0.0 -0.863 55.8 37.8-137.8 170.3 31.9 -18.5 12.1 60 60 A N E - 0 0 82 -2,-0.3 2,-0.2 11,-0.2 -1,-0.2 0.927 69.3-168.1 52.4 55.3 31.0 -21.0 14.8 61 61 A T E + 0 0 65 -3,-0.1 2,-0.3 10,-0.1 10,-0.2 -0.546 13.6 167.1 -75.8 136.3 29.4 -18.4 17.1 62 62 A Q E -D 70 0C 113 8,-2.2 8,-2.9 -2,-0.2 2,-0.7 -0.979 42.0-112.4-147.1 157.9 28.8 -19.7 20.6 63 63 A L E -D 69 0C 113 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.867 33.3-157.0 -94.5 117.1 27.9 -18.5 24.1 64 64 A A E >> -D 68 0C 37 4,-3.0 4,-1.8 -2,-0.7 3,-0.6 -0.870 57.9 -37.6 -97.0 119.2 30.9 -19.1 26.2 65 65 A G T 34 S- 0 0 67 -2,-0.6 -2,-0.0 1,-0.2 0, 0.0 -0.334 112.3 -34.8 66.4-147.6 30.0 -19.4 29.8 66 66 A S T 34 S+ 0 0 113 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.0 0.753 134.9 4.4 -85.7 -24.1 27.3 -17.1 31.1 67 67 A S T <4 S+ 0 0 17 -3,-0.6 20,-2.6 20,-0.0 21,-0.5 0.374 93.4 109.1-146.2 10.9 27.9 -13.9 29.0 68 68 A E E < -DE 64 86C 48 -4,-1.8 -4,-3.0 18,-0.2 2,-0.6 -0.763 49.5-148.2-101.2 141.5 30.6 -14.2 26.4 69 69 A L E -DE 63 85C 39 16,-3.0 16,-1.9 -2,-0.4 2,-0.3 -0.911 23.6-172.4-102.3 123.4 30.2 -14.4 22.6 70 70 A A E +DE 62 84C 21 -8,-2.9 -8,-2.2 -2,-0.6 2,-0.3 -0.886 13.4 147.1-117.2 149.7 32.9 -16.5 21.1 71 71 A A E - E 0 83C 11 12,-2.2 12,-2.1 -2,-0.3 2,-0.6 -0.974 47.6-106.5-166.8 173.2 33.7 -17.1 17.5 72 72 A E E -DE 59 82C 58 -13,-2.5 -13,-2.8 -2,-0.3 2,-0.4 -0.979 45.0-169.1-113.4 117.6 36.4 -17.8 14.9 73 73 A b E -DE 58 81C 26 8,-2.4 8,-2.2 -2,-0.6 -15,-0.2 -0.928 21.9-114.1-119.7 146.2 36.9 -14.6 12.9 74 74 A K E - E 0 80C 80 -17,-2.7 6,-0.2 -2,-0.4 2,-0.1 -0.450 27.1-144.0 -72.7 135.0 38.8 -13.7 9.8 75 75 A T > - 0 0 49 4,-1.6 3,-2.4 -2,-0.2 -1,-0.1 -0.443 35.4 -98.9 -91.7 172.2 41.8 -11.4 10.0 76 76 A R T 3 S+ 0 0 253 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.823 128.5 61.4 -61.2 -25.2 42.7 -8.9 7.3 77 77 A A T 3 S- 0 0 69 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.392 119.8-113.8 -79.7 2.0 45.1 -11.6 6.2 78 78 A Q S < S+ 0 0 122 -3,-2.4 2,-0.4 1,-0.2 -2,-0.1 0.672 75.1 128.0 72.4 20.6 42.2 -13.9 5.6 79 79 A Q - 0 0 139 -6,-0.1 -4,-1.6 0, 0.0 2,-0.4 -0.898 58.5-122.5-109.2 137.4 43.1 -16.4 8.4 80 80 A F E +E 74 0C 77 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.621 33.8 174.5 -81.9 130.6 40.7 -17.5 11.1 81 81 A V E -E 73 0C 75 -8,-2.2 -8,-2.4 -2,-0.4 2,-0.2 -0.892 34.7 -99.2-130.0 160.4 41.6 -16.9 14.8 82 82 A S E +E 72 0C 110 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.582 47.0 164.4 -81.3 142.6 39.8 -17.4 18.1 83 83 A T E -E 71 0C 68 -12,-2.1 -12,-2.2 -2,-0.2 2,-0.3 -0.985 13.9-173.8-153.3 157.5 38.1 -14.3 19.7 84 84 A K E -E 70 0C 134 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.975 5.8-164.2-151.2 161.4 35.6 -13.5 22.3 85 85 A I E -E 69 0C 94 -16,-1.9 -16,-3.0 -2,-0.3 2,-0.8 -0.987 27.4-118.9-149.7 137.9 33.8 -10.5 23.8 86 86 A N E > -E 68 0C 54 -2,-0.3 3,-1.9 -18,-0.2 4,-0.3 -0.721 16.6-162.5 -83.0 109.8 31.8 -10.1 27.0 87 87 A L G >> S+ 0 0 68 -20,-2.6 4,-2.6 -2,-0.8 3,-1.0 0.708 84.7 76.8 -65.0 -16.0 28.2 -9.2 26.1 88 88 A D G 34 S+ 0 0 109 -21,-0.5 -1,-0.3 1,-0.2 -20,-0.1 0.615 79.4 76.3 -70.3 -7.6 27.8 -8.0 29.8 89 89 A D G <4 S- 0 0 104 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.911 121.3 -4.1 -65.7 -44.0 29.7 -5.0 28.6 90 90 A H T <4 S+ 0 0 91 -3,-1.0 11,-1.7 -4,-0.3 2,-0.6 0.443 106.5 95.6-132.2 -4.8 26.7 -3.5 26.7 91 91 A I E < -F 100 0D 66 -4,-2.6 2,-0.3 9,-0.2 9,-0.2 -0.856 52.3-175.3 -99.5 120.8 23.7 -5.9 26.9 92 92 A A E -F 99 0D 16 7,-3.2 7,-2.4 -2,-0.6 2,-0.8 -0.707 30.2-127.0-112.4 160.8 21.3 -5.0 29.7 93 93 A N E -F 98 0D 116 -2,-0.3 2,-0.8 5,-0.2 5,-0.2 -0.928 28.6-172.3-106.8 105.0 18.2 -6.6 31.0 94 94 A I E > S-F 97 0D 75 3,-2.9 3,-1.6 -2,-0.8 -2,-0.0 -0.875 70.2 -41.6-103.5 102.5 15.7 -3.7 31.0 95 95 A D T 3 S- 0 0 163 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.871 125.5 -36.4 43.6 49.6 12.6 -4.9 32.8 96 96 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.400 120.8 96.8 92.3 -3.6 12.7 -8.3 31.2 97 97 A T E < S-F 94 0D 81 -3,-1.6 -3,-2.9 2,-0.0 2,-0.4 -0.964 73.6-118.6-125.7 138.0 13.9 -7.4 27.7 98 98 A L E +F 93 0D 134 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.550 40.1 174.6 -75.1 125.1 17.4 -7.4 26.3 99 99 A K E -F 92 0D 99 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.3 -0.991 28.7-129.2-135.4 142.9 18.6 -4.0 25.3 100 100 A Y E F 91 0D 164 -2,-0.4 -9,-0.2 -9,-0.2 -10,-0.0 -0.661 360.0 360.0 -87.1 146.4 21.9 -2.5 24.1 101 101 A E 0 0 144 -11,-1.7 -1,-0.2 -2,-0.3 -10,-0.1 0.278 360.0 360.0-151.5 360.0 23.2 0.6 25.9