==== 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 2NXZ . 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 13 11 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 65.4 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 . 324 35.1 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 . 107 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 7.6 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 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 . 7 8 12 12 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 0 160 0, 0.0 2,-0.3 0, 0.0 98,-0.2 0.000 360.0 360.0 360.0 -56.8 20.5 -45.1 87.9 2 84 A V E -A 98 0A 75 96,-2.2 96,-2.6 2,-0.0 2,-0.3 -0.866 360.0-143.4-141.2 105.6 22.0 -48.1 86.1 3 85 A V E -A 97 0A 98 -2,-0.3 2,-0.9 94,-0.2 94,-0.3 -0.488 16.3-134.4 -71.6 126.3 25.8 -48.9 86.3 4 86 A L > - 0 0 50 92,-2.4 3,-1.2 -2,-0.3 92,-0.5 -0.718 21.5-136.6 -87.0 103.3 27.2 -50.3 83.0 5 87 A V T 3 S- 0 0 120 -2,-0.9 90,-0.1 1,-0.2 -1,-0.0 -0.365 78.1 -3.2 -66.0 129.1 29.4 -53.3 83.9 6 88 A N T 3 S+ 0 0 166 1,-0.2 2,-0.5 88,-0.1 -1,-0.2 0.757 94.9 139.5 63.0 31.4 32.8 -53.5 82.1 7 89 A V < - 0 0 44 -3,-1.2 89,-0.5 87,-0.3 2,-0.5 -0.903 35.7-164.0-110.1 130.4 32.2 -50.5 79.8 8 90 A T - 0 0 93 -2,-0.5 2,-0.4 87,-0.1 86,-0.2 -0.958 14.0-178.9-110.5 128.6 34.8 -47.9 78.9 9 91 A E E -D 93 0B 54 84,-2.4 84,-2.9 -2,-0.5 2,-0.3 -0.991 22.8-130.5-132.8 131.2 33.5 -44.6 77.4 10 92 A N E -D 92 0B 105 -2,-0.4 2,-0.3 82,-0.2 80,-0.0 -0.621 24.6-166.6 -80.6 134.6 35.3 -41.5 76.2 11 93 A F E -D 91 0B 9 80,-2.4 80,-2.1 -2,-0.3 2,-0.2 -0.856 15.5-175.5-116.0 154.2 34.2 -38.1 77.4 12 94 A N E > -D 90 0B 70 -2,-0.3 3,-1.9 78,-0.2 78,-0.2 -0.653 2.7-174.8-148.3 89.6 35.0 -34.6 76.2 13 95 A M T 3 S+ 0 0 2 76,-2.3 3,-0.4 1,-0.3 77,-0.1 0.666 85.5 59.4 -59.2 -18.0 33.5 -31.9 78.4 14 96 A W T 3 S+ 0 0 31 1,-0.3 -1,-0.3 75,-0.2 2,-0.2 0.649 109.4 41.9 -88.5 -17.3 34.7 -29.3 76.0 15 97 A K S < S+ 0 0 175 -3,-1.9 2,-0.5 4,-0.0 -1,-0.3 -0.624 82.3 136.3-126.1 71.4 32.7 -30.7 73.1 16 98 A N >> - 0 0 12 -3,-0.4 3,-1.5 -2,-0.2 4,-0.9 -0.966 44.8-155.6-128.2 114.8 29.4 -31.6 74.7 17 99 A D H 3> S+ 0 0 122 -2,-0.5 4,-2.0 1,-0.3 5,-0.1 0.646 92.2 69.8 -66.0 -17.1 26.0 -30.8 73.1 18 100 A M H 3> S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.827 96.7 54.2 -66.1 -32.2 24.3 -30.7 76.5 19 101 A V H <> S+ 0 0 1 -3,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.953 109.3 45.6 -65.2 -50.2 26.2 -27.5 77.2 20 102 A E H X S+ 0 0 77 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.872 113.7 50.5 -59.2 -41.6 25.0 -25.8 74.0 21 103 A Q H X S+ 0 0 103 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.933 111.3 46.7 -63.7 -48.3 21.4 -27.0 74.7 22 104 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.902 109.3 56.8 -61.2 -39.2 21.5 -25.7 78.2 23 105 A H H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.938 108.3 44.9 -58.4 -48.6 22.9 -22.4 76.9 24 106 A E H X S+ 0 0 107 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.847 111.9 54.5 -65.6 -32.8 20.0 -21.8 74.5 25 107 A D H X S+ 0 0 59 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.887 108.5 47.0 -66.0 -40.9 17.6 -22.8 77.3 26 108 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.865 108.7 55.0 -72.6 -36.6 18.9 -20.2 79.7 27 109 A I H X S+ 0 0 22 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.946 110.8 46.5 -56.5 -46.4 18.9 -17.5 77.1 28 110 A S H X S+ 0 0 58 -4,-1.9 4,-1.5 1,-0.2 3,-0.2 0.893 109.0 54.7 -63.4 -42.9 15.2 -18.3 76.6 29 111 A L H X S+ 0 0 65 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.918 107.5 49.9 -54.4 -47.2 14.5 -18.3 80.3 30 112 A W H X S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.765 103.9 60.4 -67.5 -27.7 16.0 -14.8 80.6 31 113 A D H < S+ 0 0 79 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.918 115.5 31.5 -64.5 -46.2 13.9 -13.5 77.8 32 114 A Q H < S+ 0 0 143 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.655 128.8 41.1 -84.3 -15.4 10.6 -14.3 79.5 33 115 A S H < S+ 0 0 46 -4,-1.3 2,-0.5 -5,-0.2 -3,-0.2 0.883 116.0 31.0-105.9 -50.5 12.0 -13.7 83.0 34 116 A L S < S- 0 0 11 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.684 71.8-177.6-119.0 78.1 14.3 -10.7 83.3 35 117 A K - 0 0 83 -2,-0.5 2,-0.1 -3,-0.2 -4,-0.1 -0.598 14.7-143.8 -81.1 128.5 13.1 -8.0 80.8 36 118 A P - 0 0 8 0, 0.0 215,-0.2 0, 0.0 21,-0.2 -0.486 18.4-123.9 -83.7 160.5 15.1 -4.8 80.5 37 119 A a S S+ 0 0 6 213,-2.4 20,-2.0 1,-0.3 2,-0.3 0.826 97.7 11.7 -70.1 -36.1 13.5 -1.4 79.8 38 120 A V E -EF 56 250C 1 212,-1.3 212,-2.9 18,-0.2 2,-0.4 -0.996 67.2-169.5-139.9 138.2 15.7 -0.9 76.7 39 121 A K E -EF 55 249C 44 16,-2.2 16,-2.2 -2,-0.3 2,-0.4 -0.999 3.7-164.5-129.7 140.9 18.0 -3.3 74.8 40 122 A L E +EF 54 248C 22 208,-3.3 208,-2.2 -2,-0.4 14,-0.2 -0.963 9.2 174.7-120.1 131.8 20.5 -2.5 72.0 41 123 A T E -E 53 0C 34 12,-1.9 12,-2.7 -2,-0.4 206,-0.2 -0.999 28.8-121.1-134.5 137.3 22.1 -5.0 69.6 42 124 A P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 10,-0.1 -0.333 20.4-172.2 -74.4 156.8 24.4 -4.0 66.8 43 125 A L + 0 0 90 -2,-0.0 8,-2.0 329,-0.0 3,-0.2 -0.707 22.2 150.7-147.4 95.6 23.7 -4.8 63.1 44 126 A b + 0 0 14 324,-0.5 6,-0.1 6,-0.2 8,-0.0 -0.364 31.1 121.3-119.0 50.7 26.6 -4.0 60.8 45 127 A V + 0 0 79 6,-0.1 -1,-0.1 4,-0.1 5,-0.1 0.778 53.8 90.4 -81.2 -29.5 26.0 -6.6 58.1 46 128 A G S S- 0 0 48 3,-0.3 5,-0.0 -3,-0.2 4,-0.0 0.081 92.8-106.1 -60.8 175.7 25.7 -4.0 55.4 47 129 A A S S- 0 0 121 3,-0.0 -1,-0.1 0, 0.0 3,-0.1 0.668 100.9 -8.8 -78.6 -18.0 28.5 -2.7 53.2 48 194 A G S S+ 0 0 61 1,-0.4 -2,-0.1 0, 0.0 0, 0.0 0.225 109.7 55.8-138.3 -98.7 28.5 0.6 55.1 49 195 A S - 0 0 115 1,-0.1 -1,-0.4 -4,-0.0 -3,-0.3 -0.089 65.1-132.3 -56.7 143.2 26.2 2.1 57.7 50 196 A b - 0 0 73 -6,-0.1 -6,-0.2 -5,-0.1 2,-0.2 -0.538 10.7-155.3 -89.4 163.5 25.4 0.3 60.9 51 197 A N - 0 0 118 -8,-2.0 2,-0.1 -2,-0.2 -6,-0.1 -0.638 7.2-153.1-145.6 80.5 21.8 -0.1 62.2 52 198 A T - 0 0 73 -2,-0.2 2,-0.6 -10,-0.1 -2,-0.0 -0.336 15.8-134.2 -57.8 123.1 21.5 -0.6 65.9 53 199 A S E -E 41 0C 55 -12,-2.7 -12,-1.9 -2,-0.1 2,-0.5 -0.744 26.2-168.4 -77.8 119.5 18.3 -2.6 66.8 54 200 A V E -E 40 0C 65 -2,-0.6 2,-0.5 -14,-0.2 -14,-0.2 -0.953 7.6-174.4-114.3 128.4 16.6 -0.8 69.7 55 201 A I E -E 39 0C 71 -16,-2.2 -16,-2.2 -2,-0.5 2,-0.5 -0.985 4.4-169.8-124.7 126.3 13.8 -2.3 71.7 56 202 A T E +E 38 0C 40 -2,-0.5 2,-0.3 -18,-0.2 -18,-0.2 -0.959 23.6 151.0-112.2 129.1 11.9 -0.4 74.4 57 203 A Q - 0 0 46 -20,-2.0 2,-0.1 -2,-0.5 -2,-0.0 -0.920 50.5 -69.2-148.0 170.2 9.5 -2.5 76.5 58 204 A A - 0 0 60 -2,-0.3 -23,-0.0 1,-0.1 -20,-0.0 -0.409 41.0-164.0 -62.2 138.4 7.8 -2.8 79.9 59 205 A a - 0 0 24 -2,-0.1 193,-0.2 525,-0.1 -22,-0.1 -0.647 5.7-164.7-131.4 77.1 10.4 -3.7 82.6 60 206 A P - 0 0 84 0, 0.0 2,-0.8 0, 0.0 -25,-0.1 -0.321 26.6-117.5 -64.0 138.0 8.6 -4.9 85.8 61 207 A K + 0 0 66 -27,-0.0 2,-0.3 190,-0.0 144,-0.1 -0.702 51.8 165.1 -74.4 111.0 10.7 -5.1 89.0 62 208 A V - 0 0 64 -2,-0.8 2,-0.1 143,-0.1 -29,-0.0 -0.901 39.2-110.1-127.8 156.6 10.6 -8.8 89.8 63 209 A S - 0 0 105 -2,-0.3 2,-0.4 142,-0.1 142,-0.1 -0.474 27.0-153.3 -78.0 160.0 12.6 -11.2 92.0 64 210 A F + 0 0 23 -2,-0.1 141,-0.4 2,-0.0 140,-0.4 -0.887 20.7 166.6-144.0 103.5 14.9 -13.6 90.3 65 211 A E - 0 0 144 -2,-0.4 138,-0.1 139,-0.1 -2,-0.0 -0.894 33.5-129.8-126.8 98.8 15.6 -16.9 92.1 66 212 A P - 0 0 33 0, 0.0 40,-0.1 0, 0.0 42,-0.1 -0.156 22.9-155.0 -52.0 135.3 17.3 -19.6 90.0 67 213 A I - 0 0 122 38,-0.1 38,-0.1 40,-0.1 2,-0.0 -0.885 27.0 -93.2-115.1 144.5 15.5 -23.0 90.2 68 214 A P - 0 0 57 0, 0.0 2,-0.4 0, 0.0 38,-0.2 -0.303 37.2-153.5 -59.5 135.4 17.2 -26.4 89.6 69 215 A I B -H 105 0D 42 36,-2.2 36,-2.6 34,-0.1 2,-0.5 -0.926 1.9-156.3-109.0 135.6 16.9 -27.8 86.0 70 216 A H - 0 0 113 -2,-0.4 2,-0.6 34,-0.2 34,-0.1 -0.948 5.6-153.6-109.7 123.6 17.0 -31.5 85.2 71 217 A Y - 0 0 33 -2,-0.5 31,-2.2 32,-0.4 2,-0.2 -0.862 16.9-178.0 -97.2 119.3 18.0 -32.6 81.8 72 218 A c B -I 101 0E 65 -2,-0.6 29,-0.2 29,-0.3 28,-0.1 -0.570 42.5 -62.5-106.8 175.0 16.7 -36.0 80.7 73 219 A A - 0 0 48 27,-1.2 2,-0.2 -2,-0.2 -1,-0.1 -0.332 48.4-132.0 -65.4 129.5 17.3 -37.9 77.5 74 220 A P > - 0 0 68 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.557 49.4 -72.4 -77.9 147.4 16.1 -36.2 74.3 75 221 A A T 3 S+ 0 0 102 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 -0.089 122.7 17.7 -42.5 125.7 14.1 -38.4 72.0 76 222 A G T 3 S+ 0 0 50 1,-0.3 231,-1.8 -3,-0.1 -1,-0.3 0.244 113.7 83.3 97.9 -9.5 16.4 -41.0 70.3 77 223 A F E < -B 306 0A 61 -3,-2.4 2,-0.3 229,-0.2 -1,-0.3 -0.677 60.0-140.8-124.5 171.9 19.3 -40.6 72.7 78 224 A A E -B 305 0A 15 227,-2.5 227,-2.7 -2,-0.2 2,-0.6 -0.962 18.5-126.1-131.2 152.0 20.6 -41.8 76.1 79 225 A I E -BC 304 99A 2 20,-0.7 20,-2.2 -2,-0.3 2,-0.4 -0.881 22.8-163.3 -99.8 122.3 22.5 -39.9 78.9 80 226 A L E -BC 303 98A 9 223,-3.3 223,-1.6 -2,-0.6 2,-0.4 -0.829 4.0-159.1-102.6 143.8 25.8 -41.5 80.1 81 227 A K E -BC 302 97A 58 16,-3.1 16,-2.8 -2,-0.4 2,-0.5 -0.984 13.9-135.5-129.3 128.5 27.3 -40.5 83.4 82 228 A d E - C 0 96A 5 219,-2.6 14,-0.2 -2,-0.4 5,-0.1 -0.709 14.7-169.4 -82.3 125.9 31.0 -40.9 84.5 83 229 A N + 0 0 46 12,-3.3 2,-0.2 -2,-0.5 13,-0.1 0.615 47.1 117.9 -93.7 -15.5 31.1 -42.2 88.0 84 230 A N > - 0 0 73 11,-0.5 3,-0.6 1,-0.2 -2,-0.1 -0.374 60.1-146.2 -54.4 117.3 34.8 -41.6 88.7 85 231 A K T 3 S+ 0 0 111 1,-0.3 36,-0.5 -2,-0.2 2,-0.4 0.772 93.5 40.8 -64.2 -29.1 34.9 -39.2 91.6 86 232 A T T 3 S+ 0 0 63 35,-0.1 2,-0.5 34,-0.1 -1,-0.3 -0.644 78.9 153.8-118.4 73.2 38.0 -37.4 90.3 87 233 A F < - 0 0 14 -3,-0.6 6,-0.1 -2,-0.4 4,-0.1 -0.874 38.2-151.2-103.2 129.6 37.4 -37.2 86.5 88 234 A N - 0 0 87 -2,-0.5 40,-0.2 2,-0.1 -1,-0.1 0.505 42.1-115.9 -80.7 -3.4 39.1 -34.4 84.6 89 235 A G S S+ 0 0 0 38,-0.1 -76,-2.3 -77,-0.1 2,-0.4 0.227 89.1 78.4 95.3 -14.8 36.4 -34.4 82.0 90 236 A T E S+D 12 0B 56 -78,-0.2 -78,-0.2 -77,-0.1 -2,-0.1 -0.935 79.7 26.8-133.1 112.5 38.3 -35.5 78.9 91 237 A G E S-D 11 0B 20 -80,-2.1 -80,-2.4 -2,-0.4 2,-0.2 -0.841 95.6 -17.8 138.3-173.2 39.3 -39.1 78.3 92 238 A P E -D 10 0B 86 0, 0.0 2,-0.6 0, 0.0 -82,-0.2 -0.454 48.3-158.7 -67.6 128.1 38.3 -42.7 79.0 93 239 A d E -D 9 0B 2 -84,-2.9 -84,-2.4 -2,-0.2 3,-0.2 -0.961 6.7-172.6-106.4 120.4 35.9 -43.2 81.8 94 240 A T S S+ 0 0 104 -2,-0.6 2,-0.6 -86,-0.2 -87,-0.3 0.703 76.8 55.2 -85.7 -22.1 36.0 -46.8 83.1 95 241 A N S S+ 0 0 76 -86,-0.1 -12,-3.3 -89,-0.1 -11,-0.5 -0.803 74.8 161.9-115.3 89.2 33.1 -46.5 85.5 96 242 A V E - 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