==== 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 2NY2 . 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 . 920 6 14 11 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 614 66.7 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 . 329 35.8 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 1 0 0 0 1 0 0 0 0 0 0 0 1 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 . 8 7 12 12 8 10 1 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 2 9 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 0 156 0, 0.0 2,-0.6 0, 0.0 98,-0.2 0.000 360.0 360.0 360.0 -59.7 21.2 -45.2 87.3 2 84 A V E -A 98 0A 87 96,-2.1 96,-2.1 2,-0.0 2,-0.2 -0.895 360.0-140.7-119.8 103.6 22.1 -48.3 85.3 3 85 A V E -A 97 0A 97 -2,-0.6 2,-1.0 94,-0.2 94,-0.3 -0.380 9.6-136.4 -65.5 128.1 25.9 -49.1 85.3 4 86 A L > - 0 0 50 92,-2.4 3,-1.4 -2,-0.2 92,-0.5 -0.754 25.3-134.8 -87.5 101.5 27.3 -50.4 82.1 5 87 A V T 3 S- 0 0 124 -2,-1.0 3,-0.1 1,-0.3 90,-0.1 -0.336 78.4 -6.0 -63.8 129.3 29.6 -53.3 83.1 6 88 A N T 3 S+ 0 0 174 1,-0.2 2,-0.5 88,-0.1 -1,-0.3 0.766 96.9 139.9 58.3 30.9 33.0 -53.4 81.4 7 89 A V < - 0 0 48 -3,-1.4 89,-0.5 87,-0.3 2,-0.5 -0.898 35.6-164.0-107.0 131.6 32.2 -50.5 79.1 8 90 A T - 0 0 87 -2,-0.5 2,-0.4 -3,-0.1 86,-0.2 -0.969 11.4-175.2-114.9 121.5 34.7 -47.8 78.3 9 91 A E E -D 93 0B 55 84,-2.1 84,-2.8 -2,-0.5 2,-0.3 -0.952 21.8-129.7-121.0 133.9 33.4 -44.5 76.8 10 92 A N E -D 92 0B 109 -2,-0.4 2,-0.3 82,-0.3 80,-0.0 -0.635 25.9-165.8 -78.1 133.9 35.2 -41.5 75.5 11 93 A F E -D 91 0B 7 80,-2.6 80,-2.1 -2,-0.3 2,-0.2 -0.908 15.1-175.4-117.9 147.4 34.0 -38.1 76.8 12 94 A N E > -D 90 0B 66 -2,-0.3 3,-1.5 78,-0.2 78,-0.2 -0.727 3.1-177.6-141.8 94.2 34.8 -34.6 75.6 13 95 A M T 3 S+ 0 0 2 76,-2.1 3,-0.4 1,-0.3 77,-0.1 0.703 84.9 59.4 -63.3 -20.7 33.3 -31.9 77.8 14 96 A W T 3 S+ 0 0 37 1,-0.3 -1,-0.3 75,-0.2 2,-0.2 0.616 111.0 40.6 -85.9 -15.7 34.6 -29.3 75.4 15 97 A K S < S+ 0 0 178 -3,-1.5 2,-0.5 4,-0.0 -1,-0.3 -0.672 82.7 136.5-128.0 76.0 32.7 -30.7 72.5 16 98 A N >> - 0 0 9 -3,-0.4 3,-1.5 -2,-0.2 4,-1.0 -0.963 44.3-155.9-131.3 113.9 29.3 -31.6 74.1 17 99 A D H 3> S+ 0 0 133 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.710 93.3 68.9 -62.0 -23.0 26.0 -30.8 72.4 18 100 A M H 3> S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.852 97.9 53.2 -61.9 -34.3 24.2 -30.8 75.8 19 101 A V H <> S+ 0 0 0 -3,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.933 109.6 45.9 -65.3 -48.6 26.2 -27.6 76.5 20 102 A E H X S+ 0 0 83 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.881 113.7 50.6 -60.6 -40.3 25.0 -25.9 73.3 21 103 A Q H X S+ 0 0 105 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.946 110.8 46.7 -65.0 -50.5 21.4 -27.1 74.0 22 104 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.915 109.6 56.6 -56.7 -42.9 21.4 -25.8 77.6 23 105 A H H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.912 107.9 45.7 -56.3 -46.9 22.9 -22.5 76.3 24 106 A E H X S+ 0 0 108 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.862 112.0 53.7 -66.2 -34.6 20.0 -21.9 73.9 25 107 A D H X S+ 0 0 57 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.887 109.9 45.6 -65.5 -42.1 17.5 -22.9 76.6 26 108 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.868 109.0 55.9 -72.5 -36.1 18.9 -20.3 79.1 27 109 A I H X S+ 0 0 22 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.922 110.7 45.8 -57.9 -43.4 19.0 -17.6 76.4 28 110 A S H X S+ 0 0 61 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.907 110.2 53.7 -66.4 -42.5 15.3 -18.2 75.8 29 111 A L H X S+ 0 0 58 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.917 112.5 43.4 -57.2 -46.5 14.5 -18.2 79.5 30 112 A W H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.849 110.1 55.3 -69.7 -37.6 16.2 -14.8 80.0 31 113 A D H < S+ 0 0 63 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.832 116.5 37.7 -65.8 -32.2 14.6 -13.3 76.9 32 114 A Q H < S+ 0 0 132 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.657 125.5 39.3 -90.8 -17.1 11.2 -14.2 78.2 33 115 A S H < S+ 0 0 47 -4,-1.2 2,-0.8 1,-0.2 -3,-0.2 0.899 115.1 39.0 -99.1 -53.9 11.9 -13.4 81.9 34 116 A L S < S- 0 0 11 -4,-2.2 -1,-0.2 -5,-0.2 27,-0.1 -0.790 71.2-171.4-108.6 90.6 14.1 -10.3 82.1 35 117 A K - 0 0 80 -2,-0.8 2,-0.1 25,-0.2 -4,-0.1 -0.694 16.6-134.4 -88.2 125.5 13.0 -7.7 79.6 36 118 A P - 0 0 8 0, 0.0 21,-0.3 0, 0.0 213,-0.2 -0.414 10.6-133.1 -71.9 149.6 15.1 -4.6 79.1 37 119 A a S S+ 0 0 5 211,-2.5 20,-1.7 1,-0.3 2,-0.3 0.866 98.8 11.9 -65.1 -38.6 13.6 -1.2 79.0 38 120 A V E S-EF 56 248C 1 210,-1.2 210,-2.4 18,-0.2 2,-0.4 -0.997 70.1-166.9-140.0 137.6 15.8 -0.6 75.9 39 121 A K E -EF 55 247C 34 16,-2.7 16,-2.5 -2,-0.3 2,-0.5 -0.994 3.9-167.5-127.9 126.8 17.8 -3.1 73.9 40 122 A L E +EF 54 246C 23 206,-3.2 206,-2.6 -2,-0.4 14,-0.2 -0.954 10.4 173.2-118.9 119.3 20.5 -2.1 71.4 41 123 A b E -E 53 0C 13 12,-2.7 12,-3.6 -2,-0.5 204,-0.2 -0.981 29.0-119.6-128.9 134.5 22.0 -4.6 68.9 42 124 A P E -E 52 0C 33 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.302 23.2-173.7 -67.6 151.7 24.4 -4.0 66.0 43 125 A L E +E 51 0C 112 8,-2.7 8,-2.1 -2,-0.0 2,-0.2 -0.839 17.9 164.6-149.8 107.3 23.4 -4.8 62.4 44 126 A c + 0 0 13 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.522 21.5 67.8-122.2-176.9 26.1 -4.5 59.7 45 127 A V + 0 0 89 3,-0.4 4,-0.1 4,-0.2 6,-0.0 0.281 62.4 74.1 80.3 150.1 27.1 -5.4 56.1 46 128 A G S S+ 0 0 50 1,-0.1 2,-2.7 2,-0.1 -1,-0.1 0.487 100.3 14.8 85.1 132.4 25.4 -4.2 52.8 47 129 A A S S- 0 0 128 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.032 116.0 -94.0 63.6 -37.7 25.8 -0.7 51.2 48 194 A G S S+ 0 0 63 -2,-2.7 -3,-0.4 1,-0.5 -1,-0.2 -0.392 93.5 95.3 134.2 -56.5 28.7 -0.2 53.6 49 195 A S - 0 0 104 -5,-0.1 -1,-0.5 1,-0.1 2,-0.2 -0.085 66.9-121.0 -66.1 163.3 27.5 1.5 56.8 50 196 A c - 0 0 71 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.623 22.8-155.3 -98.5 165.1 26.4 -0.2 60.0 51 197 A N E -E 43 0C 110 -8,-2.1 -8,-2.7 -2,-0.2 2,-0.5 -0.917 9.0-135.1-135.9 161.7 23.0 0.0 61.7 52 198 A T E -E 42 0C 75 -2,-0.3 2,-0.5 -10,-0.2 -12,-0.0 -0.980 11.3-145.1-124.1 122.0 21.7 -0.4 65.2 53 199 A S E -E 41 0C 47 -12,-3.6 -12,-2.7 -2,-0.5 2,-0.5 -0.735 21.4-166.1 -80.6 124.4 18.5 -2.3 66.0 54 200 A V E -E 40 0C 64 -2,-0.5 2,-0.5 -14,-0.2 -14,-0.2 -0.960 10.4-176.4-120.3 123.5 16.7 -0.7 68.9 55 201 A I E -E 39 0C 72 -16,-2.5 -16,-2.7 -2,-0.5 2,-0.4 -0.976 1.8-173.5-117.9 128.6 13.9 -2.2 70.9 56 202 A T E +E 38 0C 41 -2,-0.5 2,-0.3 -18,-0.2 -18,-0.2 -0.977 20.1 148.1-118.3 132.5 12.0 -0.3 73.6 57 203 A Q - 0 0 60 -20,-1.7 -2,-0.0 -2,-0.4 0, 0.0 -0.987 53.0 -69.5-156.5 163.7 9.4 -2.1 75.8 58 204 A A - 0 0 61 -2,-0.3 -23,-0.0 1,-0.1 523,-0.0 -0.324 43.8-160.0 -55.1 135.2 7.8 -2.3 79.3 59 205 A a - 0 0 23 523,-0.1 191,-0.3 -25,-0.0 -22,-0.1 -0.707 5.3-161.0-127.0 80.6 10.4 -3.6 81.8 60 206 A P - 0 0 88 0, 0.0 2,-0.6 0, 0.0 -25,-0.2 -0.324 24.7-115.8 -65.0 138.4 8.8 -5.0 84.9 61 207 A K + 0 0 66 -27,-0.1 2,-0.3 188,-0.0 144,-0.1 -0.649 45.6 175.4 -72.4 118.6 10.9 -5.3 88.0 62 208 A V - 0 0 63 -2,-0.6 2,-0.9 143,-0.2 -29,-0.0 -0.964 34.8-122.9-129.3 146.9 11.1 -9.0 88.7 63 209 A S - 0 0 99 -2,-0.3 2,-0.4 142,-0.1 142,-0.1 -0.773 29.6-146.8 -90.5 103.6 13.0 -11.1 91.3 64 210 A F + 0 0 33 -2,-0.9 140,-0.5 1,-0.0 141,-0.4 -0.546 25.1 169.1 -75.6 123.9 15.1 -13.6 89.4 65 211 A E - 0 0 143 -2,-0.4 -2,-0.0 139,-0.1 138,-0.0 -0.807 30.4-130.8-140.5 96.4 15.5 -16.9 91.2 66 212 A P - 0 0 34 0, 0.0 40,-0.1 0, 0.0 42,-0.1 -0.137 17.5-155.5 -53.6 131.9 17.0 -19.8 89.2 67 213 A I - 0 0 114 38,-0.1 38,-0.1 40,-0.1 -2,-0.0 -0.875 30.4 -97.4-106.3 140.4 15.2 -23.2 89.4 68 214 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 38,-0.3 -0.282 35.8-148.5 -59.1 139.9 17.0 -26.4 88.7 69 215 A I B -H 105 0D 41 36,-2.6 36,-2.7 34,-0.1 2,-0.5 -0.927 4.2-155.8-110.3 134.8 16.8 -27.8 85.2 70 216 A H - 0 0 115 -2,-0.4 2,-0.7 34,-0.2 34,-0.1 -0.942 4.8-154.2-108.2 127.9 16.8 -31.6 84.4 71 217 A Y - 0 0 34 -2,-0.5 31,-2.3 32,-0.4 2,-0.2 -0.900 16.7-176.2-102.6 115.4 17.9 -32.7 81.0 72 218 A d B -I 101 0E 63 -2,-0.7 29,-0.2 29,-0.3 28,-0.1 -0.581 41.9 -63.7-104.0 169.5 16.5 -36.1 80.0 73 219 A A - 0 0 43 27,-1.6 2,-0.2 -2,-0.2 -1,-0.1 -0.228 48.9-131.8 -57.2 130.7 17.2 -38.1 76.8 74 220 A P > - 0 0 65 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.587 47.5 -73.8 -77.4 149.7 16.1 -36.4 73.5 75 221 A A T 3 S+ 0 0 103 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 -0.157 122.4 15.7 -47.7 123.9 14.1 -38.7 71.2 76 222 A G T 3 S+ 0 0 54 1,-0.3 229,-2.2 -3,-0.1 -1,-0.3 0.355 114.7 87.8 93.5 -3.6 16.4 -41.2 69.6 77 223 A F E < -B 304 0A 61 -3,-2.5 2,-0.3 227,-0.2 -1,-0.3 -0.776 58.8-146.7-125.0 166.6 19.3 -40.7 72.0 78 224 A A E -B 303 0A 17 225,-2.7 225,-3.1 -2,-0.3 2,-0.5 -0.957 18.3-128.9-128.3 150.4 20.6 -41.9 75.4 79 225 A I E -BC 302 99A 1 20,-0.7 20,-2.3 -2,-0.3 2,-0.4 -0.897 21.1-161.2-100.4 124.6 22.4 -40.0 78.1 80 226 A L E -BC 301 98A 8 221,-3.0 221,-1.8 -2,-0.5 2,-0.4 -0.836 3.8-158.5-103.7 144.0 25.7 -41.5 79.4 81 227 A K E -BC 300 97A 57 16,-3.1 16,-2.5 -2,-0.4 2,-0.5 -0.980 14.1-134.5-127.6 129.7 27.2 -40.5 82.7 82 228 A e E - C 0 96A 4 217,-2.8 14,-0.2 -2,-0.4 5,-0.1 -0.726 14.8-168.7 -82.9 125.2 30.8 -40.9 83.8 83 229 A N + 0 0 39 12,-3.6 2,-0.4 -2,-0.5 13,-0.1 0.586 46.8 119.4 -92.2 -13.4 30.9 -42.3 87.4 84 230 A N - 0 0 70 11,-0.6 3,-0.2 1,-0.2 -2,-0.1 -0.403 59.6-146.1 -57.5 113.3 34.6 -41.7 88.0 85 231 A K S S+ 0 0 113 -2,-0.4 36,-0.6 1,-0.3 2,-0.5 0.759 93.3 40.9 -58.3 -30.8 34.6 -39.3 91.0 86 232 A T S S+ 0 0 59 35,-0.1 2,-0.4 34,-0.1 -1,-0.3 -0.886 79.1 150.8-118.7 97.1 37.7 -37.6 89.7 87 233 A F - 0 0 10 -2,-0.5 6,-0.1 -3,-0.2 4,-0.0 -0.996 40.6-149.5-129.9 130.9 37.3 -37.2 86.0 88 234 A N - 0 0 94 -2,-0.4 40,-0.2 2,-0.1 -1,-0.1 0.482 40.6-120.2 -82.7 -1.3 38.9 -34.4 83.9 89 235 A G S S+ 0 0 0 38,-0.1 -76,-2.1 -77,-0.1 2,-0.4 0.265 88.8 82.0 88.3 -12.3 36.1 -34.5 81.3 90 236 A T E S+D 12 0B 58 -78,-0.2 -78,-0.2 -77,-0.1 -2,-0.1 -0.883 80.7 26.4-133.5 102.4 38.3 -35.3 78.3 91 237 A G E S-D 11 0B 19 -80,-2.1 -80,-2.6 -2,-0.4 2,-0.2 -0.891 96.6 -23.2 144.1-173.3 39.3 -38.9 77.7 92 238 A P E -D 10 0B 82 0, 0.0 2,-0.5 0, 0.0 -82,-0.3 -0.468 48.7-153.0 -70.2 135.9 38.1 -42.5 78.3 93 239 A e E -D 9 0B 1 -84,-2.8 -84,-2.1 -2,-0.2 3,-0.2 -0.963 8.6-171.6-111.6 121.1 35.8 -43.2 81.2 94 240 A T S S+ 0 0 105 -2,-0.5 2,-0.6 1,-0.2 -87,-0.3 0.701 78.7 52.8 -86.5 -21.9 36.0 -46.7 82.6 95 241 A N S S+ 0 0 78 -86,-0.1 -12,-3.6 -89,-0.1 -11,-0.6 -0.833 75.9 155.0-116.6 91.5 33.0 -46.5 84.9 96 242 A V E - 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