==== 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 2NXY . 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 . 926 6 13 11 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 615 66.4 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 . 328 35.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 115 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 . 56 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 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 . 8 7 12 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 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 0 155 0, 0.0 2,-0.5 0, 0.0 98,-0.2 0.000 360.0 360.0 360.0 -69.3 20.0 -45.4 86.7 2 84 A V E -A 98 0A 90 96,-2.2 96,-2.3 2,-0.0 2,-0.2 -0.960 360.0-135.7-129.4 120.6 21.9 -48.5 85.4 3 85 A V E -A 97 0A 88 -2,-0.5 2,-0.7 94,-0.2 94,-0.3 -0.460 18.6-133.6 -71.2 136.5 25.7 -49.1 85.4 4 86 A L E > -A 96 0A 46 92,-3.1 3,-1.1 -2,-0.2 92,-0.6 -0.836 21.8-134.9 -96.1 112.1 27.1 -50.6 82.2 5 87 A V T 3 S- 0 0 117 -2,-0.7 3,-0.1 1,-0.2 90,-0.1 -0.434 79.0 -4.8 -73.0 133.8 29.5 -53.4 83.1 6 88 A N T 3 S+ 0 0 171 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.656 96.3 139.4 62.1 18.9 32.9 -53.5 81.3 7 89 A V < - 0 0 51 -3,-1.1 2,-0.5 87,-0.2 89,-0.5 -0.829 34.5-167.5-100.1 127.7 32.0 -50.6 79.1 8 90 A T - 0 0 89 -2,-0.5 2,-0.4 -3,-0.1 86,-0.2 -0.963 10.5-178.8-114.3 119.4 34.5 -47.9 78.2 9 91 A E E -D 93 0B 59 84,-1.9 84,-2.6 -2,-0.5 2,-0.4 -0.936 23.5-127.2-119.2 140.0 33.2 -44.7 76.6 10 92 A N E -D 92 0B 107 -2,-0.4 2,-0.3 82,-0.2 80,-0.0 -0.684 25.0-165.8 -83.8 135.4 35.0 -41.6 75.5 11 93 A F E -D 91 0B 7 80,-2.7 80,-2.0 -2,-0.4 2,-0.2 -0.898 14.4-175.9-116.9 149.2 33.9 -38.2 76.8 12 94 A N E > -D 90 0B 67 -2,-0.3 3,-1.9 78,-0.2 78,-0.2 -0.702 2.8-175.5-142.6 92.8 34.7 -34.7 75.5 13 95 A M T 3 S+ 0 0 1 76,-2.5 3,-0.4 1,-0.3 77,-0.1 0.683 84.8 60.5 -61.3 -19.1 33.2 -32.0 77.7 14 96 A W T 3 S+ 0 0 31 1,-0.3 -1,-0.3 75,-0.2 2,-0.2 0.591 110.0 40.9 -87.9 -12.9 34.5 -29.3 75.3 15 97 A K S < S+ 0 0 175 -3,-1.9 2,-0.4 4,-0.0 -1,-0.3 -0.686 82.1 136.8-130.2 78.7 32.5 -30.8 72.4 16 98 A N >> - 0 0 13 -3,-0.4 3,-1.8 -2,-0.2 4,-1.0 -0.960 44.6-155.5-133.6 111.6 29.2 -31.6 74.0 17 99 A D H 3> S+ 0 0 134 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.694 93.2 70.1 -60.3 -21.2 25.8 -30.8 72.3 18 100 A M H 3> S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.828 97.0 52.6 -63.4 -32.9 24.1 -30.8 75.7 19 101 A V H <> S+ 0 0 1 -3,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.941 109.4 47.0 -66.7 -49.2 26.0 -27.6 76.4 20 102 A E H X S+ 0 0 74 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.886 113.2 50.1 -58.4 -42.7 24.8 -25.9 73.2 21 103 A Q H X S+ 0 0 105 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.951 111.4 46.4 -62.8 -51.0 21.2 -27.1 74.0 22 104 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.885 109.3 57.0 -59.4 -38.1 21.2 -25.7 77.5 23 105 A H H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.936 108.2 45.1 -59.8 -47.5 22.8 -22.5 76.3 24 106 A E H X S+ 0 0 106 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.858 112.0 54.6 -65.4 -33.6 19.9 -21.9 73.8 25 107 A D H X S+ 0 0 56 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.882 108.9 46.0 -65.5 -41.8 17.4 -22.8 76.6 26 108 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.879 109.7 54.5 -72.0 -37.9 18.8 -20.3 79.1 27 109 A I H X S+ 0 0 21 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.921 111.0 46.2 -58.6 -43.7 18.8 -17.5 76.4 28 110 A S H X S+ 0 0 55 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.893 109.6 54.6 -65.4 -40.8 15.1 -18.2 75.7 29 111 A L H X S+ 0 0 70 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.930 109.9 46.4 -58.2 -48.9 14.4 -18.3 79.5 30 112 A W H X S+ 0 0 11 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.894 109.0 54.5 -61.4 -44.8 15.9 -14.8 79.9 31 113 A D H < S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.7 38.9 -57.0 -42.2 14.2 -13.3 76.9 32 114 A Q H < S+ 0 0 139 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.839 127.5 33.1 -76.7 -35.1 10.8 -14.4 78.2 33 115 A S H < S+ 0 0 48 -4,-2.2 2,-0.8 -5,-0.2 -3,-0.2 0.901 116.5 44.3 -92.8 -48.3 11.4 -13.6 81.9 34 116 A L < - 0 0 8 -4,-2.6 -1,-0.2 -5,-0.2 27,-0.1 -0.779 68.4-176.5-109.9 89.4 13.8 -10.6 82.1 35 117 A K - 0 0 83 -2,-0.8 2,-0.1 25,-0.2 -4,-0.1 -0.745 14.8-143.1 -92.8 122.0 12.7 -7.8 79.8 36 118 A P - 0 0 11 0, 0.0 21,-0.3 0, 0.0 213,-0.2 -0.402 17.1-126.6 -76.6 156.9 14.8 -4.7 79.5 37 119 A a S S+ 0 0 1 211,-2.6 20,-1.6 1,-0.3 2,-0.3 0.858 100.0 14.6 -68.5 -37.9 13.4 -1.2 79.0 38 120 A V E S-EF 56 248C 0 210,-1.2 210,-2.9 18,-0.2 2,-0.4 -0.997 70.2-167.7-137.2 139.3 15.7 -0.7 76.0 39 121 A K E -EF 55 247C 41 16,-2.5 16,-2.7 -2,-0.3 2,-0.4 -0.997 4.9-169.0-130.8 128.5 17.6 -3.4 74.0 40 122 A L E +EF 54 246C 19 206,-3.3 206,-2.4 -2,-0.4 14,-0.2 -0.971 8.8 171.5-122.7 127.0 20.3 -2.6 71.5 41 123 A T E -E 53 0C 26 12,-2.1 12,-3.2 -2,-0.4 204,-0.2 -0.998 30.0-117.0-135.3 137.9 21.9 -5.0 69.0 42 124 A P - 0 0 26 0, 0.0 10,-0.1 0, 0.0 2,-0.1 -0.170 23.4-177.8 -68.4 162.0 24.3 -4.3 66.1 43 125 A L + 0 0 83 3,-0.0 8,-1.9 1,-0.0 3,-0.3 -0.517 18.2 153.3-160.9 85.4 23.6 -5.0 62.5 44 126 A b + 0 0 15 322,-0.5 4,-0.2 6,-0.2 6,-0.1 -0.216 30.5 123.9-110.6 40.2 26.4 -4.2 60.1 45 127 A V + 0 0 101 6,-0.1 -1,-0.2 2,-0.1 5,-0.1 0.775 59.3 83.8 -67.9 -26.3 25.5 -6.7 57.3 46 128 A G S S- 0 0 43 3,-0.5 2,-1.0 -3,-0.3 3,-0.3 -0.060 97.5 -88.2 -72.4 175.8 25.4 -3.7 54.9 47 129 A A S S- 0 0 106 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 -0.761 99.1 -29.0 -94.0 99.4 28.4 -2.2 53.1 48 194 A G S S+ 0 0 92 -2,-1.0 2,-0.3 -4,-0.2 -1,-0.2 0.841 118.4 99.0 66.1 35.3 29.9 0.6 55.2 49 195 A S - 0 0 83 -3,-0.3 -3,-0.5 -5,-0.1 2,-0.3 -0.817 56.0-158.7-156.2 109.0 26.6 1.3 56.9 50 196 A b - 0 0 78 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.643 2.3-163.3 -94.8 149.4 25.6 0.0 60.4 51 197 A N - 0 0 114 -8,-1.9 -6,-0.1 -2,-0.3 -10,-0.1 -0.699 10.3-152.2-136.1 78.9 22.0 -0.2 61.6 52 198 A T - 0 0 79 -2,-0.3 2,-0.5 -10,-0.1 -12,-0.0 -0.301 17.0-134.2 -54.7 123.3 21.6 -0.7 65.4 53 199 A S E -E 41 0C 50 -12,-3.2 -12,-2.1 -2,-0.0 2,-0.5 -0.740 24.1-164.5 -82.2 124.4 18.4 -2.5 66.1 54 200 A V E -E 40 0C 66 -2,-0.5 2,-0.5 -14,-0.2 -14,-0.2 -0.948 10.0-174.8-118.8 121.3 16.6 -0.8 69.0 55 201 A I E -E 39 0C 69 -16,-2.7 -16,-2.5 -2,-0.5 2,-0.5 -0.969 1.3-173.0-116.6 126.8 13.8 -2.4 71.0 56 202 A T E +E 38 0C 40 -2,-0.5 2,-0.3 -18,-0.2 -18,-0.2 -0.980 21.9 150.8-116.2 127.2 11.8 -0.4 73.6 57 203 A Q - 0 0 52 -20,-1.6 2,-0.1 -2,-0.5 -2,-0.0 -0.932 51.9 -71.3-148.4 167.5 9.3 -2.3 75.7 58 204 A A - 0 0 61 -2,-0.3 523,-0.0 1,-0.1 -23,-0.0 -0.424 43.9-162.8 -61.3 137.6 7.6 -2.4 79.1 59 205 A a - 0 0 24 -2,-0.1 191,-0.3 523,-0.1 -22,-0.2 -0.567 6.0-170.4-130.9 71.2 10.1 -3.5 81.7 60 206 A P - 0 0 94 0, 0.0 2,-0.4 0, 0.0 -25,-0.2 -0.283 30.7-110.6 -67.3 143.5 8.5 -4.7 84.9 61 207 A K - 0 0 64 -27,-0.1 2,-0.4 188,-0.0 144,-0.1 -0.617 43.9-179.7 -71.4 125.0 10.7 -5.3 88.0 62 208 A V - 0 0 56 -2,-0.4 2,-0.9 143,-0.1 -29,-0.0 -0.994 31.8-124.6-133.4 128.5 10.8 -9.1 88.6 63 209 A S - 0 0 102 -2,-0.4 2,-0.3 142,-0.1 142,-0.1 -0.613 32.0-148.8 -71.5 107.6 12.6 -11.0 91.3 64 210 A F + 0 0 33 -2,-0.9 140,-0.5 1,-0.0 141,-0.3 -0.622 24.3 169.1 -83.2 132.3 14.7 -13.5 89.4 65 211 A E - 0 0 136 -2,-0.3 138,-0.0 139,-0.1 -2,-0.0 -0.737 31.7-127.1-150.0 95.8 15.3 -16.9 91.1 66 212 A P - 0 0 39 0, 0.0 40,-0.1 0, 0.0 42,-0.1 -0.059 21.0-153.2 -50.8 136.5 16.9 -19.7 89.1 67 213 A I - 0 0 119 38,-0.1 38,-0.1 40,-0.1 -2,-0.0 -0.908 28.0 -98.1-113.0 137.3 15.0 -23.0 89.2 68 214 A P - 0 0 61 0, 0.0 2,-0.4 0, 0.0 38,-0.3 -0.266 36.2-152.0 -57.2 137.3 16.8 -26.4 88.7 69 215 A I B -H 105 0D 40 36,-2.8 36,-3.0 34,-0.1 2,-0.5 -0.943 4.6-159.1-112.1 133.3 16.6 -27.9 85.2 70 216 A H - 0 0 112 -2,-0.4 2,-0.6 34,-0.2 34,-0.1 -0.950 7.1-152.7-109.0 124.0 16.8 -31.6 84.4 71 217 A Y - 0 0 33 -2,-0.5 31,-2.3 32,-0.4 2,-0.2 -0.857 16.5-175.5 -95.6 119.2 17.8 -32.7 80.9 72 218 A c B -I 101 0E 67 -2,-0.6 29,-0.2 29,-0.3 28,-0.1 -0.627 42.2 -62.5-105.6 171.7 16.4 -36.0 79.9 73 219 A A - 0 0 47 27,-1.3 2,-0.1 -2,-0.2 -1,-0.1 -0.250 49.2-130.8 -60.0 128.4 17.1 -38.0 76.7 74 220 A P > - 0 0 67 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.505 49.6 -70.7 -72.6 150.4 16.0 -36.3 73.4 75 221 A A T 3 S+ 0 0 103 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.130 123.5 13.3 -45.8 121.6 14.0 -38.4 71.1 76 222 A G T 3 S+ 0 0 52 1,-0.3 229,-1.8 -3,-0.1 -1,-0.3 0.463 114.7 88.7 91.6 3.6 16.2 -41.1 69.5 77 223 A F E < -B 304 0A 86 -3,-2.3 2,-0.3 227,-0.3 -1,-0.3 -0.778 58.0-147.0-127.9 169.6 19.1 -40.6 72.0 78 224 A A E -B 303 0A 18 225,-2.8 225,-2.7 -2,-0.2 2,-0.5 -0.967 18.5-124.5-134.9 152.9 20.3 -41.8 75.4 79 225 A I E -BC 302 99A 1 20,-0.7 20,-2.0 -2,-0.3 2,-0.4 -0.877 22.2-163.5-101.2 126.4 22.3 -40.1 78.2 80 226 A L E -BC 301 98A 11 221,-3.0 221,-1.9 -2,-0.5 2,-0.4 -0.847 4.8-157.6-106.2 146.3 25.5 -41.6 79.4 81 227 A K E -BC 300 97A 60 16,-3.0 16,-2.7 -2,-0.4 2,-0.5 -0.984 13.9-135.9-131.5 127.3 27.1 -40.7 82.7 82 228 A d E - 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