==== 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 2NY3 . 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) . 42358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 2.8 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 . 2 0.2 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 . 98 10.6 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 . 1 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 12 12 8 7 3 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 0 150 0, 0.0 2,-0.4 0, 0.0 98,-0.2 0.000 360.0 360.0 360.0 -62.0 20.4 -45.4 87.6 2 84 A V E -A 98 0A 92 96,-2.0 96,-2.4 2,-0.0 2,-0.2 -0.975 360.0-132.7-137.0 124.3 22.1 -48.6 86.3 3 85 A V E -A 97 0A 97 -2,-0.4 2,-0.8 94,-0.3 94,-0.3 -0.477 16.0-131.7 -76.4 138.8 25.9 -49.2 86.0 4 86 A L > - 0 0 48 92,-2.8 3,-1.1 -2,-0.2 92,-0.5 -0.813 24.8-136.0 -92.9 110.8 27.4 -50.6 82.8 5 87 A V T 3 S- 0 0 116 -2,-0.8 3,-0.1 1,-0.2 90,-0.1 -0.447 78.3 -5.9 -73.3 133.4 29.7 -53.5 83.7 6 88 A N T 3 S+ 0 0 175 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.724 97.8 139.8 58.3 26.3 33.1 -53.6 82.0 7 89 A V < - 0 0 47 -3,-1.1 2,-0.5 87,-0.3 89,-0.5 -0.885 36.2-164.3-108.0 125.2 32.2 -50.7 79.8 8 90 A T - 0 0 91 -2,-0.5 2,-0.4 -3,-0.1 86,-0.2 -0.926 11.6-176.7-106.9 127.2 34.7 -47.9 78.9 9 91 A E E -D 93 0B 55 84,-2.3 84,-2.7 -2,-0.5 2,-0.4 -0.974 22.2-128.8-126.9 137.2 33.3 -44.7 77.4 10 92 A N E -D 92 0B 108 -2,-0.4 2,-0.4 82,-0.2 80,-0.0 -0.683 24.6-167.3 -84.1 132.2 35.1 -41.6 76.1 11 93 A F E -D 91 0B 7 80,-2.5 80,-2.8 -2,-0.4 2,-0.3 -0.926 13.6-176.0-116.8 144.0 33.9 -38.2 77.4 12 94 A N E > -D 90 0B 75 -2,-0.4 3,-1.5 78,-0.2 78,-0.2 -0.766 2.6-175.9-137.7 95.6 34.8 -34.8 76.1 13 95 A M T 3 S+ 0 0 2 76,-2.2 3,-0.4 -2,-0.3 77,-0.1 0.695 83.8 59.4 -63.3 -19.8 33.3 -32.0 78.3 14 96 A W T 3 S+ 0 0 32 1,-0.3 -1,-0.3 75,-0.2 2,-0.3 0.623 110.2 40.9 -87.4 -15.8 34.5 -29.3 75.9 15 97 A K S < S+ 0 0 178 -3,-1.5 2,-0.4 4,-0.0 -1,-0.3 -0.696 81.5 134.5-128.2 78.5 32.6 -30.7 73.0 16 98 A N >> - 0 0 10 -3,-0.4 3,-1.9 -2,-0.3 4,-0.9 -0.951 45.0-155.6-134.3 109.3 29.2 -31.6 74.6 17 99 A D H 3> S+ 0 0 101 -2,-0.4 4,-2.1 1,-0.3 5,-0.1 0.636 92.3 71.8 -65.8 -11.9 25.9 -30.7 72.9 18 100 A M H 3> S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.850 96.5 52.8 -64.4 -34.9 24.2 -30.8 76.3 19 101 A V H <> S+ 0 0 1 -3,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.923 109.4 47.3 -65.2 -45.9 26.1 -27.6 77.1 20 102 A E H X S+ 0 0 83 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.871 112.8 50.0 -61.9 -40.1 24.8 -26.0 73.9 21 103 A Q H X S+ 0 0 105 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.941 111.2 47.3 -65.3 -48.8 21.3 -27.1 74.7 22 104 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.920 109.1 56.4 -59.3 -42.2 21.4 -25.8 78.2 23 105 A H H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.912 108.1 45.7 -56.9 -46.6 22.8 -22.5 76.9 24 106 A E H X S+ 0 0 104 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.875 111.8 54.0 -65.5 -35.6 19.9 -21.9 74.5 25 107 A D H X S+ 0 0 56 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.862 108.4 47.2 -65.1 -39.1 17.5 -22.8 77.3 26 108 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.881 108.9 54.9 -73.4 -36.9 18.9 -20.3 79.7 27 109 A I H X S+ 0 0 23 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.918 111.1 45.6 -58.5 -42.7 18.8 -17.6 77.0 28 110 A S H X S+ 0 0 58 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.871 109.0 55.5 -68.1 -38.7 15.1 -18.3 76.5 29 111 A L H X S+ 0 0 58 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.919 108.0 49.1 -58.8 -44.1 14.5 -18.3 80.3 30 112 A W H X S+ 0 0 7 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.810 105.2 58.4 -67.9 -31.8 16.0 -14.8 80.5 31 113 A D H < S+ 0 0 84 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.923 114.2 36.1 -61.3 -46.5 13.8 -13.5 77.6 32 114 A Q H < S+ 0 0 137 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.708 129.0 34.4 -80.4 -19.6 10.6 -14.4 79.4 33 115 A S H < S+ 0 0 45 -4,-1.4 2,-1.0 -5,-0.2 -3,-0.2 0.915 114.6 38.1-105.4 -61.3 11.8 -13.6 82.9 34 116 A L S < S- 0 0 10 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.657 72.2-178.4-102.8 78.9 14.3 -10.7 83.2 35 117 A K - 0 0 86 -2,-1.0 2,-0.1 -3,-0.2 -4,-0.1 -0.633 15.3-142.5 -85.3 126.8 13.1 -8.1 80.7 36 118 A P - 0 0 12 0, 0.0 214,-0.2 0, 0.0 21,-0.2 -0.425 16.4-128.4 -80.1 157.6 15.0 -4.8 80.3 37 119 A a S S+ 0 0 9 212,-2.4 20,-2.0 1,-0.3 2,-0.3 0.818 98.5 12.6 -69.9 -35.5 13.3 -1.3 79.7 38 120 A V E -EF 56 249C 1 211,-1.3 211,-3.1 18,-0.2 2,-0.4 -0.989 68.2-173.3-142.3 131.6 15.6 -0.9 76.7 39 121 A K E -EF 55 248C 29 16,-2.2 16,-2.4 -2,-0.3 2,-0.4 -0.997 6.1-163.2-127.2 140.8 17.8 -3.4 74.8 40 122 A L E +EF 54 247C 21 207,-3.4 207,-2.3 -2,-0.4 14,-0.2 -0.969 8.4 178.0-122.1 130.0 20.3 -2.5 72.0 41 123 A T E -E 53 0C 25 12,-2.0 12,-3.0 -2,-0.4 205,-0.2 -0.999 27.1-121.7-132.2 134.5 21.9 -4.9 69.6 42 124 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 10,-0.1 -0.321 21.0-172.4 -70.7 152.0 24.3 -4.0 66.7 43 125 A L + 0 0 94 -2,-0.0 8,-2.4 328,-0.0 2,-0.4 -0.765 17.4 155.5-145.3 100.5 23.6 -4.8 63.1 44 126 A b + 0 0 14 323,-0.4 6,-0.1 -2,-0.2 327,-0.0 -0.769 27.5 117.4-127.4 86.3 26.5 -4.1 60.6 45 127 A V + 0 0 85 -2,-0.4 -1,-0.1 4,-0.3 5,-0.1 0.622 60.4 73.1-118.5 -27.6 26.2 -6.2 57.5 46 128 A G S S- 0 0 63 3,-0.4 4,-0.1 -3,-0.2 -2,-0.1 0.691 89.1-139.4 -64.7 -19.8 25.7 -3.6 54.7 47 129 A A S S+ 0 0 102 2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.935 90.1 55.8 57.4 51.0 29.4 -2.6 55.0 48 194 A G S S+ 0 0 77 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.286 110.7 23.8 174.9 0.4 28.6 1.1 54.6 49 195 A S - 0 0 101 2,-0.0 -3,-0.4 0, 0.0 2,-0.3 -0.719 65.0-140.0 179.3 127.0 26.1 1.9 57.4 50 196 A b - 0 0 78 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.2 -0.722 8.1-164.0 -97.5 146.4 25.2 0.4 60.8 51 197 A N - 0 0 115 -8,-2.4 2,-0.2 -2,-0.3 -10,-0.1 -0.790 10.3-152.7-132.4 90.7 21.7 0.1 62.1 52 198 A T - 0 0 72 -2,-0.4 2,-0.6 -10,-0.1 -2,-0.0 -0.410 18.2-130.5 -60.9 126.9 21.4 -0.6 65.9 53 199 A S E -E 41 0C 51 -12,-3.0 -12,-2.0 -2,-0.2 2,-0.5 -0.747 26.6-166.3 -81.6 121.1 18.3 -2.5 66.7 54 200 A V E -E 40 0C 68 -2,-0.6 2,-0.4 -14,-0.2 -14,-0.2 -0.946 8.4-175.3-115.9 122.5 16.5 -0.7 69.6 55 201 A I E -E 39 0C 73 -16,-2.4 -16,-2.2 -2,-0.5 2,-0.4 -0.967 3.2-170.4-117.1 130.0 13.7 -2.3 71.6 56 202 A T E +E 38 0C 40 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.976 21.5 156.0-117.8 130.2 11.8 -0.5 74.3 57 203 A Q - 0 0 54 -20,-2.0 -2,-0.0 -2,-0.4 0, 0.0 -0.963 48.0 -67.7-149.8 163.2 9.4 -2.4 76.6 58 204 A A - 0 0 62 -2,-0.3 -23,-0.0 1,-0.1 -20,-0.0 -0.229 44.4-157.2 -52.4 144.8 7.5 -2.7 79.9 59 205 A a - 0 0 24 524,-0.1 192,-0.2 -22,-0.0 -22,-0.1 -0.447 9.2-170.8-135.9 56.5 10.1 -3.2 82.6 60 206 A P - 0 0 94 0, 0.0 2,-0.7 0, 0.0 -25,-0.2 -0.220 26.7-123.5 -65.7 136.1 8.5 -4.9 85.7 61 207 A K + 0 0 65 -27,-0.1 2,-0.3 189,-0.0 144,-0.1 -0.683 46.5 171.5 -75.0 113.3 10.6 -5.1 88.9 62 208 A V - 0 0 67 -2,-0.7 2,-0.2 143,-0.1 -29,-0.0 -0.939 37.2-112.8-129.5 146.2 10.6 -8.9 89.6 63 209 A S - 0 0 100 -2,-0.3 2,-0.5 142,-0.1 142,-0.1 -0.529 29.6-157.0 -70.2 143.9 12.3 -11.2 92.0 64 210 A F + 0 0 24 -2,-0.2 141,-0.4 2,-0.0 140,-0.4 -0.940 20.8 163.7-131.8 108.2 14.7 -13.6 90.2 65 211 A E - 0 0 147 -2,-0.5 138,-0.0 139,-0.1 -2,-0.0 -0.912 32.6-132.7-131.4 103.5 15.6 -16.9 92.0 66 212 A P - 0 0 34 0, 0.0 40,-0.1 0, 0.0 42,-0.1 -0.247 22.8-161.8 -57.0 135.1 17.1 -19.7 89.9 67 213 A I - 0 0 115 38,-0.1 38,-0.1 40,-0.1 -2,-0.0 -0.900 31.1 -82.0-120.3 151.3 15.5 -23.1 90.4 68 214 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 38,-0.2 -0.169 38.4-157.2 -54.9 137.4 17.0 -26.6 89.6 69 215 A I B -H 105 0D 41 36,-2.0 36,-2.8 34,-0.1 2,-0.5 -0.960 1.5-158.3-112.2 135.8 16.7 -27.9 86.0 70 216 A H - 0 0 110 -2,-0.4 2,-0.7 34,-0.2 34,-0.1 -0.963 5.5-152.2-112.6 124.5 16.9 -31.6 85.2 71 217 A Y - 0 0 35 -2,-0.5 31,-2.0 32,-0.4 2,-0.2 -0.857 15.9-174.1 -96.9 117.4 17.9 -32.7 81.7 72 218 A c B -I 101 0E 67 -2,-0.7 29,-0.2 29,-0.3 28,-0.1 -0.619 42.7 -65.5-101.9 168.3 16.5 -36.0 80.7 73 219 A A - 0 0 46 27,-1.3 2,-0.2 -2,-0.2 -1,-0.1 -0.252 49.6-130.3 -58.1 129.9 17.2 -37.9 77.5 74 220 A P > - 0 0 67 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.527 49.0 -69.3 -77.5 150.7 16.0 -36.3 74.3 75 221 A A T 3 S+ 0 0 103 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 -0.065 123.4 15.5 -43.2 128.8 14.0 -38.4 71.9 76 222 A G T 3 S+ 0 0 50 1,-0.3 230,-2.0 -3,-0.1 -1,-0.3 0.335 115.1 86.1 89.0 -4.5 16.2 -41.1 70.3 77 223 A F E < -B 305 0A 80 -3,-2.3 2,-0.3 228,-0.2 -1,-0.3 -0.653 58.5-144.7-125.0 175.0 19.1 -40.7 72.8 78 224 A A E -B 304 0A 12 226,-2.1 226,-3.0 -2,-0.2 2,-0.6 -0.983 18.3-125.9-139.0 151.5 20.4 -41.8 76.2 79 225 A I E -BC 303 99A 1 20,-0.7 20,-2.2 -2,-0.3 2,-0.3 -0.885 22.1-165.3-101.6 123.8 22.4 -40.1 78.9 80 226 A L E -BC 302 98A 8 222,-2.9 222,-1.8 -2,-0.6 2,-0.4 -0.820 4.9-157.7-103.5 147.7 25.6 -41.7 80.1 81 227 A K E -BC 301 97A 58 16,-2.9 16,-2.1 -2,-0.3 2,-0.5 -0.988 12.2-138.3-133.7 126.3 27.3 -40.6 83.4 82 228 A d E - C 0 96A 4 218,-2.5 14,-0.2 -2,-0.4 5,-0.1 -0.718 12.6-165.5 -83.2 127.9 30.9 -41.0 84.5 83 229 A N + 0 0 54 12,-3.3 2,-0.4 -2,-0.5 -1,-0.1 0.680 50.7 112.6 -91.2 -19.8 31.1 -42.0 88.1 84 230 A N > - 0 0 81 11,-0.4 3,-1.7 1,-0.2 -2,-0.1 -0.399 57.6-151.4 -59.0 112.2 34.8 -41.3 88.8 85 231 A e T 3 S+ 0 0 36 -2,-0.4 36,-0.2 1,-0.3 37,-0.2 0.850 94.4 45.1 -48.4 -43.0 34.8 -38.4 91.3 86 232 A T T 3 S+ 0 0 64 35,-0.1 -1,-0.3 34,-0.1 -2,-0.1 0.320 78.4 146.3 -92.9 6.8 38.2 -37.1 90.1 87 233 A F < - 0 0 10 -3,-1.7 4,-0.1 1,-0.2 6,-0.1 -0.198 45.4-145.8 -50.3 126.1 37.4 -37.4 86.4 88 234 A N - 0 0 79 2,-0.1 -1,-0.2 1,-0.1 40,-0.1 0.706 38.1-115.7 -67.9 -21.8 39.2 -34.6 84.5 89 235 A G S S+ 0 0 0 3,-0.1 -76,-2.2 38,-0.1 2,-0.4 0.180 91.0 75.9 105.9 -16.1 36.2 -34.4 82.0 90 236 A T E S+D 12 0B 48 -78,-0.2 -78,-0.2 -77,-0.1 -2,-0.1 -0.957 81.2 26.7-133.9 117.1 38.1 -35.4 78.9 91 237 A G E S-D 11 0B 22 -80,-2.8 -80,-2.5 -2,-0.4 2,-0.2 -0.814 95.5 -19.8 132.7-172.6 39.2 -39.0 78.2 92 238 A P E -D 10 0B 86 0, 0.0 2,-0.5 0, 0.0 -82,-0.2 -0.469 48.3-161.9 -72.7 134.9 38.1 -42.6 78.9 93 239 A d E -D 9 0B 3 -84,-2.7 -84,-2.3 -2,-0.2 3,-0.2 -0.980 8.3-173.2-114.8 129.3 35.9 -43.3 81.9 94 240 A T S S+ 0 0 114 -2,-0.5 2,-0.8 -86,-0.2 -87,-0.3 0.683 76.5 62.9 -94.4 -21.7 35.8 -46.9 83.1 95 241 A N S S+ 0 0 84 -86,-0.1 -12,-3.3 -89,-0.1 -11,-0.4 -0.754 73.5 154.5-106.5 83.9 33.0 -46.4 85.7 96 242 A V E + C 0 82A 0 -2,-0.8 -92,-2.8 -92,-0.5 2,-0.3 -0.851 17.9 179.9-116.0 147.7 30.0 -45.4 83.6 97 243 A S E -AC 3 81A 5 -16,-2.1 -16,-2.9 -2,-0.3 2,-0.4 -0.961 27.7-117.8-138.9 157.5 26.2 -45.7 84.1 98 244 A T E -AC 2 80A 44 -96,-2.4 -96,-2.0 -2,-0.3 2,-0.3 -0.777 33.0-169.6 -91.6 140.1 23.1 -44.8 82.3 99 245 A V E - 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