==== 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 VIRAL PROTEIN/IMMUNE SYSTEM 20-NOV-06 2NY4 . COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.ZHOU,L.XU,B.DEY,A.J.HESSELL,D.VAN RYK,S.H.XIANG,X.YANG,M.Y . 923 6 14 12 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 606 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 325 35.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 114 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 2 0 1 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 0 1 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 . 7 8 11 13 8 8 2 1 2 2 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 3 8 1 0 3 0 1 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 83 A E 0 0 158 0, 0.0 2,-0.4 0, 0.0 98,-0.2 0.000 360.0 360.0 360.0 -69.5 20.2 -45.0 87.1 2 84 A V E -A 98 0A 86 96,-2.1 96,-2.5 2,-0.0 2,-0.2 -0.973 360.0-135.3-128.8 122.8 22.0 -48.1 85.8 3 85 A V E -A 97 0A 95 -2,-0.4 2,-0.7 94,-0.2 94,-0.3 -0.519 19.4-129.6 -75.6 133.9 25.8 -48.7 85.8 4 86 A L > - 0 0 45 92,-2.6 3,-1.0 -2,-0.2 92,-0.5 -0.758 22.5-134.5 -89.8 114.5 27.3 -50.1 82.6 5 87 A V T 3 S- 0 0 120 -2,-0.7 90,-0.1 1,-0.2 -1,-0.0 -0.475 77.7 -9.6 -74.7 131.8 29.5 -53.1 83.3 6 88 A N T 3 S+ 0 0 179 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.774 97.3 143.1 54.8 33.5 33.0 -53.3 81.6 7 89 A V < - 0 0 47 -3,-1.0 2,-0.5 87,-0.2 89,-0.4 -0.878 34.4-166.5-109.2 133.8 32.2 -50.3 79.4 8 90 A T - 0 0 87 -2,-0.4 2,-0.4 87,-0.1 86,-0.2 -0.979 13.0-179.5-115.5 127.1 34.6 -47.6 78.3 9 91 A E E -D 93 0B 55 84,-2.2 84,-2.9 -2,-0.5 2,-0.4 -0.978 24.9-125.9-128.9 140.4 33.2 -44.4 76.7 10 92 A N E -D 92 0B 106 -2,-0.4 2,-0.3 82,-0.2 80,-0.0 -0.704 27.4-170.6 -83.9 129.6 34.9 -41.3 75.3 11 93 A F E -D 91 0B 6 80,-2.4 80,-2.5 -2,-0.4 2,-0.2 -0.880 13.3-175.9-116.1 151.2 33.7 -37.9 76.7 12 94 A N E > -D 90 0B 69 -2,-0.3 3,-1.4 78,-0.2 78,-0.2 -0.735 5.3-174.9-146.8 95.8 34.5 -34.4 75.6 13 95 A M T 3 S+ 0 0 2 76,-2.4 3,-0.4 1,-0.3 77,-0.1 0.695 86.0 59.0 -64.6 -18.3 33.0 -31.6 77.7 14 96 A W T 3 S+ 0 0 36 1,-0.3 -1,-0.3 75,-0.2 2,-0.2 0.615 110.5 40.7 -88.5 -15.5 34.2 -29.0 75.3 15 97 A K S < S+ 0 0 175 -3,-1.4 2,-0.5 4,-0.0 -1,-0.3 -0.686 82.2 136.6-129.6 76.9 32.3 -30.5 72.4 16 98 A N >> - 0 0 13 -3,-0.4 3,-1.5 -2,-0.2 4,-1.2 -0.956 44.6-156.3-133.0 112.0 29.0 -31.4 74.0 17 99 A D H 3> S+ 0 0 132 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.724 94.0 68.2 -61.4 -21.6 25.6 -30.6 72.3 18 100 A M H 3> S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.863 98.8 51.4 -62.3 -36.0 23.9 -30.7 75.7 19 101 A V H <> S+ 0 0 0 -3,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.949 110.6 47.1 -64.8 -50.0 25.8 -27.5 76.5 20 102 A E H X S+ 0 0 80 -4,-1.2 4,-2.0 1,-0.2 -2,-0.2 0.874 112.3 50.8 -56.3 -43.1 24.6 -25.9 73.3 21 103 A Q H X S+ 0 0 105 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.928 110.7 47.5 -63.0 -47.1 21.1 -27.0 74.0 22 104 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.909 108.8 56.2 -61.3 -40.9 21.1 -25.6 77.5 23 105 A H H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.929 108.9 45.0 -57.7 -48.2 22.6 -22.3 76.2 24 106 A E H X S+ 0 0 101 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.872 112.3 54.3 -65.2 -34.6 19.7 -21.8 73.8 25 107 A D H X S+ 0 0 57 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.902 109.2 45.9 -63.5 -43.6 17.3 -22.7 76.5 26 108 A I H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.881 110.0 54.0 -71.5 -36.6 18.6 -20.1 78.9 27 109 A I H X S+ 0 0 22 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.917 111.2 46.7 -60.4 -42.3 18.6 -17.4 76.3 28 110 A S H X S+ 0 0 64 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.910 110.1 52.7 -65.2 -44.0 14.9 -18.2 75.6 29 111 A L H X S+ 0 0 61 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.920 109.0 49.8 -57.0 -46.5 14.1 -18.2 79.3 30 112 A W H < S+ 0 0 6 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.823 104.7 58.9 -63.7 -33.3 15.7 -14.7 79.7 31 113 A D H < S+ 0 0 84 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 113.8 35.9 -62.0 -43.4 13.8 -13.3 76.8 32 114 A Q H < S+ 0 0 143 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.534 128.8 36.1 -88.5 -7.3 10.4 -14.1 78.4 33 115 A S S < S+ 0 0 49 -4,-0.8 2,-1.8 -5,-0.2 -3,-0.2 0.787 113.1 36.6-109.4 -81.2 11.6 -13.3 81.9 34 116 A L S S- 0 0 9 -4,-0.3 -1,-0.1 -5,-0.2 -2,-0.1 -0.508 74.6-177.4 -83.8 75.8 14.1 -10.5 82.5 35 117 A K - 0 0 79 -2,-1.8 2,-0.1 -3,-0.1 -4,-0.1 -0.585 15.2-141.1 -79.7 126.4 12.9 -8.0 79.9 36 118 A P - 0 0 10 0, 0.0 215,-0.2 0, 0.0 21,-0.2 -0.425 16.4-125.4 -81.3 159.7 14.8 -4.7 79.6 37 119 A a S S+ 0 0 6 213,-2.7 20,-1.9 1,-0.3 2,-0.3 0.814 98.9 12.7 -70.7 -34.3 13.2 -1.3 79.0 38 120 A V E -EF 56 250C 1 212,-1.3 212,-3.0 18,-0.2 2,-0.4 -0.990 67.8-168.9-142.5 135.5 15.4 -0.8 76.0 39 121 A K E -EF 55 249C 58 16,-2.3 16,-2.5 -2,-0.3 2,-0.4 -0.996 4.4-165.9-125.3 137.1 17.6 -3.3 74.0 40 122 A L E +EF 54 248C 22 208,-3.3 208,-2.2 -2,-0.4 14,-0.2 -0.971 8.8 174.8-120.5 130.9 20.1 -2.4 71.4 41 123 A T E -E 53 0C 26 12,-2.0 12,-3.2 -2,-0.4 206,-0.2 -1.000 29.2-120.2-135.2 135.9 21.7 -4.8 69.0 42 124 A P - 0 0 25 0, 0.0 2,-0.3 0, 0.0 10,-0.1 -0.379 21.2-171.9 -75.6 152.1 24.1 -3.8 66.1 43 125 A L + 0 0 85 -2,-0.1 8,-2.0 1,-0.0 3,-0.2 -0.774 25.0 146.4-142.6 98.1 23.3 -4.6 62.5 44 126 A b + 0 0 15 324,-0.5 6,-0.1 -2,-0.3 -1,-0.0 -0.143 30.7 120.5-121.8 35.4 26.2 -3.8 60.1 45 127 A V + 0 0 85 6,-0.1 -1,-0.1 284,-0.0 5,-0.1 0.781 59.1 83.9 -70.5 -27.6 25.6 -6.6 57.6 46 128 A G S S- 0 0 51 3,-0.2 5,-0.0 -3,-0.2 4,-0.0 0.016 89.0-114.7 -66.2 179.0 25.2 -4.0 54.8 47 129 A A S S+ 0 0 114 3,-0.0 -1,-0.1 2,-0.0 3,-0.1 0.871 95.1 21.0 -85.1 -41.3 28.1 -2.4 52.9 48 194 A G S S+ 0 0 69 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.638 112.7 15.7 -96.7-114.3 27.7 1.2 54.0 49 195 A S S S- 0 0 116 1,-0.1 -1,-0.2 2,-0.0 -3,-0.2 -0.247 71.0-120.8 -68.6 150.3 25.9 2.6 57.1 50 196 A b - 0 0 68 -3,-0.1 -6,-0.2 -6,-0.1 2,-0.1 -0.282 12.6-148.3 -81.2 174.2 25.0 0.4 60.1 51 197 A N - 0 0 118 -8,-2.0 -6,-0.1 -2,-0.1 2,-0.1 -0.610 10.0-154.0-148.8 79.1 21.5 0.0 61.5 52 198 A T - 0 0 75 -2,-0.1 2,-0.6 -10,-0.1 -12,-0.0 -0.351 17.7-131.1 -59.4 127.3 21.3 -0.5 65.2 53 199 A S E -E 41 0C 52 -12,-3.2 -12,-2.0 -2,-0.1 2,-0.5 -0.741 25.6-167.4 -82.8 119.6 18.1 -2.4 66.2 54 200 A V E -E 40 0C 66 -2,-0.6 2,-0.5 -14,-0.2 -14,-0.2 -0.943 7.6-174.9-113.8 124.2 16.3 -0.6 69.0 55 201 A I E -E 39 0C 67 -16,-2.5 -16,-2.3 -2,-0.5 2,-0.5 -0.976 2.1-171.6-117.5 128.0 13.5 -2.2 71.0 56 202 A T E +E 38 0C 40 -2,-0.5 2,-0.3 -18,-0.2 -18,-0.2 -0.979 21.1 151.5-116.6 130.0 11.6 -0.3 73.6 57 203 A Q - 0 0 41 -20,-1.9 -2,-0.0 -2,-0.5 2,-0.0 -0.971 51.1 -75.4-151.2 161.6 9.2 -2.2 75.8 58 204 A A - 0 0 63 -2,-0.3 525,-0.0 1,-0.1 -23,-0.0 -0.347 42.0-162.6 -57.8 140.4 7.5 -2.3 79.2 59 205 A a - 0 0 23 525,-0.1 193,-0.2 -25,-0.0 -22,-0.1 -0.645 4.7-162.7-135.1 77.7 10.0 -3.5 81.8 60 206 A P - 0 0 98 0, 0.0 2,-0.7 0, 0.0 -25,-0.1 -0.238 27.5-112.2 -66.2 145.9 8.3 -4.7 85.1 61 207 A K + 0 0 68 -27,-0.0 2,-0.4 190,-0.0 144,-0.1 -0.709 50.8 172.2 -76.6 115.5 10.3 -5.1 88.2 62 208 A V - 0 0 66 -2,-0.7 2,-0.2 143,-0.1 -29,-0.0 -0.966 36.4-117.5-130.8 142.9 10.4 -8.8 88.9 63 209 A S - 0 0 100 -2,-0.4 2,-0.5 142,-0.1 142,-0.1 -0.537 28.9-154.3 -70.0 145.4 12.2 -11.1 91.3 64 210 A F + 0 0 22 -2,-0.2 141,-0.5 142,-0.0 140,-0.3 -0.937 20.7 167.0-131.8 107.7 14.5 -13.5 89.4 65 211 A E - 0 0 136 -2,-0.5 138,-0.1 139,-0.1 -2,-0.0 -0.903 33.1-128.5-129.7 101.6 15.3 -16.9 91.1 66 212 A P - 0 0 30 0, 0.0 40,-0.1 0, 0.0 42,-0.1 -0.155 23.2-155.8 -50.5 134.1 16.9 -19.7 89.0 67 213 A I - 0 0 115 38,-0.1 38,-0.1 40,-0.1 -2,-0.0 -0.921 27.9 -92.7-117.1 140.4 15.0 -23.0 89.3 68 214 A P - 0 0 61 0, 0.0 2,-0.4 0, 0.0 38,-0.2 -0.204 36.0-154.7 -54.2 135.1 16.7 -26.4 88.7 69 215 A I B -H 105 0D 43 36,-2.7 36,-2.4 34,-0.1 2,-0.5 -0.948 1.5-157.8-109.6 133.8 16.5 -27.8 85.2 70 216 A H - 0 0 112 -2,-0.4 2,-0.7 34,-0.2 34,-0.1 -0.952 6.4-152.5-108.6 121.3 16.7 -31.5 84.5 71 217 A Y - 0 0 33 -2,-0.5 31,-2.5 32,-0.4 2,-0.2 -0.840 16.9-176.0 -91.3 118.0 17.7 -32.6 81.0 72 218 A c B -I 101 0E 65 -2,-0.7 29,-0.2 29,-0.3 28,-0.1 -0.529 43.3 -65.5-100.6 176.5 16.3 -36.0 80.1 73 219 A A - 0 0 46 27,-1.2 2,-0.1 -2,-0.2 -1,-0.1 -0.427 49.1-131.9 -68.4 129.1 17.0 -37.9 76.9 74 220 A P > - 0 0 68 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.487 49.7 -67.4 -74.7 153.7 15.8 -36.2 73.7 75 221 A A T 3 S+ 0 0 103 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.118 123.7 14.9 -46.4 124.4 13.9 -38.5 71.3 76 222 A G T 3 S+ 0 0 51 1,-0.3 231,-1.8 -3,-0.1 -1,-0.3 0.390 114.0 86.4 94.3 -0.8 16.2 -41.1 69.7 77 223 A F E < -B 306 0A 64 -3,-2.2 2,-0.3 229,-0.2 -1,-0.3 -0.754 58.1-145.8-127.7 169.8 19.0 -40.6 72.2 78 224 A A E -B 305 0A 14 227,-2.3 227,-2.7 -2,-0.2 2,-0.6 -0.967 20.0-125.0-133.1 152.2 20.3 -41.8 75.6 79 225 A I E -BC 304 99A 1 20,-0.7 20,-2.2 -2,-0.3 2,-0.3 -0.877 22.7-164.5-100.5 122.8 22.2 -39.9 78.4 80 226 A L E -BC 303 98A 13 223,-3.4 223,-2.1 -2,-0.6 2,-0.4 -0.825 5.7-154.2-103.1 145.9 25.5 -41.4 79.5 81 227 A K E -BC 302 97A 51 16,-3.3 16,-2.3 -2,-0.3 2,-0.5 -0.980 9.7-140.5-128.5 124.8 27.1 -40.3 82.7 82 228 A d E - C 0 96A 5 219,-3.0 14,-0.2 -2,-0.4 5,-0.0 -0.706 14.0-170.8 -80.6 127.5 30.8 -40.4 83.7 83 229 A N + 0 0 50 12,-3.0 2,-0.4 -2,-0.5 13,-0.1 0.451 45.0 115.7-101.5 -2.1 31.2 -41.4 87.3 84 230 A N > - 0 0 63 11,-0.3 3,-1.3 1,-0.1 -2,-0.1 -0.570 53.8-153.3 -75.5 123.4 34.9 -40.8 87.8 85 231 A e T 3 S+ 0 0 40 -2,-0.4 37,-0.3 1,-0.3 -1,-0.1 0.615 95.7 46.3 -74.3 -13.0 35.6 -38.0 90.4 86 232 A T T 3 S+ 0 0 97 36,-0.1 -1,-0.3 35,-0.1 -2,-0.1 0.244 77.0 143.7-109.3 11.5 39.0 -37.2 88.8 87 233 A F < - 0 0 11 -3,-1.3 6,-0.1 1,-0.2 4,-0.1 -0.304 43.0-150.1 -53.9 126.6 37.7 -37.2 85.2 88 234 A N - 0 0 96 2,-0.1 40,-0.4 1,-0.1 -1,-0.2 0.410 39.5-105.6 -87.5 2.2 39.5 -34.4 83.4 89 235 A G S S+ 0 0 0 38,-0.1 -76,-2.4 2,-0.1 2,-0.4 -0.075 97.5 62.1 105.5 -33.5 36.8 -33.6 80.9 90 236 A T E S+D 12 0B 55 -78,-0.2 -78,-0.2 -77,-0.1 -2,-0.1 -0.949 85.8 30.8-134.6 114.5 38.2 -35.1 77.7 91 237 A G E S-D 11 0B 20 -80,-2.5 -80,-2.4 -2,-0.4 2,-0.2 -0.866 91.0 -15.6 140.6-171.3 39.0 -38.8 77.2 92 238 A P E -D 10 0B 86 0, 0.0 2,-0.5 0, 0.0 -82,-0.2 -0.420 45.7-161.3 -68.1 131.3 37.9 -42.3 78.2 93 239 A d E -D 9 0B 2 -84,-2.9 -84,-2.2 -2,-0.2 3,-0.2 -0.976 5.6-172.4-109.5 126.4 35.7 -42.8 81.2 94 240 A T S S+ 0 0 104 -2,-0.5 2,-0.4 -86,-0.2 -87,-0.2 0.427 76.8 60.5 -99.6 -1.8 35.8 -46.4 82.5 95 241 A N S S+ 0 0 76 -86,-0.1 -12,-3.0 -89,-0.1 2,-0.3 -0.776 74.3 155.5-124.3 86.6 33.0 -46.0 85.1 96 242 A V E - 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