==== 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 2NY6 . 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 . 921 6 16 12 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 596 64.7 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 . 321 34.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 1 0.1 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 . 109 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 3 1 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 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 0 PARALLEL BRIDGES PER LADDER . 8 9 13 9 10 8 1 1 3 1 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 7 2 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 0 131 0, 0.0 2,-0.2 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 -6.9 19.8 -45.8 86.4 2 84 A V - 0 0 77 96,-0.4 2,-1.3 2,-0.0 96,-1.1 -0.566 360.0-147.8-172.5 114.1 21.8 -48.6 84.7 3 85 A V E -A 97 0A 91 94,-0.2 94,-0.2 -2,-0.2 2,-0.1 -0.651 19.5-148.3 -91.5 88.6 25.4 -49.5 85.3 4 86 A L E -A 96 0A 56 -2,-1.3 92,-0.6 92,-0.7 3,-0.4 -0.315 15.2-154.5 -57.6 123.7 26.8 -50.8 82.0 5 87 A V S S+ 0 0 111 1,-0.2 3,-0.1 -2,-0.1 90,-0.1 -0.682 70.4 20.9-102.7 159.6 29.5 -53.4 82.7 6 88 A N S S+ 0 0 176 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.878 98.6 129.9 52.6 38.6 32.4 -54.5 80.4 7 89 A V - 0 0 48 -3,-0.4 2,-0.5 87,-0.3 -1,-0.2 -0.987 41.6-170.5-131.8 127.9 31.8 -51.1 78.7 8 90 A T - 0 0 94 -2,-0.4 2,-0.5 -3,-0.1 86,-0.2 -0.969 10.4-170.6-121.1 121.9 34.3 -48.4 77.9 9 91 A E - 0 0 52 84,-1.9 84,-0.2 -2,-0.5 2,-0.1 -0.924 18.2-135.1-123.2 118.1 33.1 -45.0 76.7 10 92 A N - 0 0 113 -2,-0.5 2,-0.3 82,-0.2 80,-0.0 -0.391 25.5-170.4 -64.3 134.7 35.1 -42.1 75.2 11 93 A F E +D 91 0B 7 80,-2.0 80,-2.1 -2,-0.1 2,-0.2 -0.941 17.1 179.5-121.8 149.6 34.1 -38.7 76.6 12 94 A N E > -D 90 0B 75 -2,-0.3 3,-2.8 78,-0.2 78,-0.2 -0.639 6.2-172.6-147.1 88.9 35.1 -35.3 75.5 13 95 A W G > S+ 0 0 7 76,-2.1 3,-0.6 1,-0.3 6,-0.1 0.702 82.9 69.3 -53.4 -18.6 33.5 -32.6 77.6 14 96 A a G 3 S+ 0 0 38 1,-0.3 -1,-0.3 75,-0.2 76,-0.1 0.511 103.6 39.9 -83.9 -6.7 35.0 -30.1 75.2 15 97 A K G < S+ 0 0 181 -3,-2.8 2,-0.6 4,-0.0 -1,-0.3 -0.515 80.6 145.4-136.6 67.1 32.6 -31.1 72.4 16 98 A N X> - 0 0 11 -3,-0.6 3,-1.0 1,-0.1 4,-1.0 -0.924 41.0-155.6-114.5 117.7 29.3 -31.7 74.1 17 99 A D H 3> S+ 0 0 112 -2,-0.6 4,-2.3 1,-0.3 5,-0.1 0.803 93.7 65.2 -53.5 -36.0 26.0 -31.0 72.4 18 100 A M H 3> S+ 0 0 0 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.890 94.8 56.9 -58.3 -43.3 24.4 -30.6 75.8 19 101 A V H <> S+ 0 0 0 -3,-1.0 4,-2.9 1,-0.2 -1,-0.2 0.968 110.1 43.6 -53.0 -54.9 26.5 -27.6 76.7 20 102 A E H X S+ 0 0 88 -4,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.867 115.8 50.1 -56.4 -42.5 25.3 -25.7 73.6 21 103 A Q H X S+ 0 0 68 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.971 110.4 47.0 -62.2 -56.8 21.8 -26.8 74.3 22 104 A M H >X S+ 0 0 7 -4,-3.7 4,-3.1 1,-0.2 3,-0.8 0.963 110.5 55.2 -49.2 -51.0 21.7 -25.8 77.9 23 105 A H H 3X S+ 0 0 21 -4,-2.9 4,-2.3 1,-0.3 5,-0.3 0.854 108.0 46.8 -53.4 -44.7 23.2 -22.5 76.8 24 106 A E H 3X S+ 0 0 129 -4,-2.0 4,-1.6 -3,-0.2 -1,-0.3 0.816 114.0 49.5 -66.5 -34.1 20.4 -21.8 74.4 25 107 A D H X S+ 0 0 4 -4,-3.1 4,-2.5 2,-0.2 3,-1.3 0.986 113.8 47.6 -55.6 -66.9 19.3 -20.6 79.7 27 109 A b H 3X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.899 113.1 51.7 -37.9 -49.9 19.7 -17.6 77.4 28 110 A S H 3X S+ 0 0 55 -4,-1.6 4,-1.5 -5,-0.3 -1,-0.3 0.806 108.8 49.7 -61.5 -34.0 16.2 -18.2 76.3 29 111 A L H - 0 0 58 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 -0.456 46.0 -70.7 -75.7 151.0 15.6 -35.5 73.5 75 221 A A T 3 S+ 0 0 105 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.105 125.3 24.0 -39.0 124.8 13.6 -37.9 71.4 76 222 A G T 3 S+ 0 0 50 1,-0.3 229,-1.8 -3,-0.1 -1,-0.3 0.134 109.6 81.2 104.7 -18.2 16.1 -40.2 69.7 77 223 A F E < -B 304 0A 78 -3,-2.7 2,-0.3 227,-0.2 -1,-0.3 -0.538 58.5-141.0-119.4 178.6 19.1 -39.9 72.1 78 224 A A E -B 303 0A 21 225,-0.8 225,-2.2 -2,-0.2 2,-0.7 -0.998 13.7-130.4-142.9 144.8 20.5 -41.2 75.4 79 225 A I E -BC 302 99A 1 20,-0.5 20,-1.4 -2,-0.3 2,-0.4 -0.846 20.3-168.4-100.9 112.8 22.3 -39.6 78.4 80 226 A L E -BC 301 98A 13 221,-2.7 221,-1.9 -2,-0.7 2,-0.4 -0.813 5.8-165.7 -96.5 139.3 25.4 -41.4 79.5 81 227 A K E -BC 300 97A 55 16,-2.7 16,-2.1 -2,-0.4 2,-0.5 -0.960 16.2-131.8-124.3 140.5 27.0 -40.4 82.9 82 228 A g E - C 0 96A 3 217,-2.2 14,-0.3 -2,-0.4 217,-0.0 -0.838 9.9-159.9 -95.7 128.4 30.4 -41.2 84.3 83 229 A N + 0 0 51 12,-4.7 13,-0.2 -2,-0.5 -1,-0.1 0.446 48.2 122.5 -92.7 1.3 30.4 -42.5 87.8 84 230 A N - 0 0 72 11,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.284 58.4-142.1 -53.9 144.7 34.1 -41.8 88.7 85 231 A K S S+ 0 0 132 1,-0.2 36,-0.5 35,-0.1 2,-0.4 0.969 95.1 33.4 -74.1 -57.3 34.5 -39.5 91.7 86 232 A T S S+ 0 0 68 35,-0.1 2,-0.3 34,-0.1 -1,-0.2 -0.806 80.9 160.9 -93.8 143.5 37.5 -37.8 90.1 87 233 A F - 0 0 11 -2,-0.4 6,-0.0 -3,-0.1 211,-0.0 -0.874 37.1-153.4-169.3 125.8 37.2 -37.5 86.4 88 234 A N - 0 0 102 -2,-0.3 40,-0.2 2,-0.2 -75,-0.1 0.285 42.6-121.3 -92.7 10.1 38.9 -35.2 83.7 89 235 A G S S+ 0 0 0 1,-0.1 -76,-2.1 -77,-0.1 2,-0.4 0.505 81.0 98.6 68.0 5.9 36.1 -35.4 81.2 90 236 A T E S-D 12 0B 67 -78,-0.2 -2,-0.2 2,-0.1 -78,-0.2 -0.984 72.1 -3.8-130.7 135.0 38.4 -36.9 78.5 91 237 A G E S-D 11 0B 18 -80,-2.1 -80,-2.0 -2,-0.4 2,-0.1 -0.569 99.5 -2.9 96.2-155.9 39.0 -40.4 77.3 92 238 A P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 -82,-0.2 -0.428 50.8-175.0 -78.5 145.1 37.6 -43.8 78.5 93 239 A g + 0 0 1 -84,-0.2 -84,-1.9 -2,-0.1 3,-0.1 -0.986 9.6 178.1-137.3 134.7 35.3 -44.2 81.5 94 240 A T S S+ 0 0 94 -2,-0.3 2,-1.4 -86,-0.2 -87,-0.3 0.683 70.6 71.4-111.5 -25.5 34.2 -47.6 82.8 95 241 A N S S+ 0 0 80 -90,-0.1 -12,-4.7 2,-0.0 -11,-0.4 -0.696 80.3 134.7 -88.6 79.7 32.0 -46.8 85.8 96 242 A V E +AC 4 82A 0 -2,-1.4 -92,-0.7 -92,-0.6 2,-0.3 -0.906 29.9 174.3-133.4 161.5 29.2 -45.5 83.6 97 243 A S E -AC 3 81A 5 -16,-2.1 -16,-2.7 -2,-0.3 2,-0.3 -0.944 31.0-104.0-157.5 168.3 25.4 -45.6 83.2 98 244 A T E - C 0 80A 50 -96,-1.1 -96,-0.4 -2,-0.3 2,-0.3 -0.736 38.4-173.6 -93.3 155.5 22.3 -44.3 81.4 99 245 A V E - C 0 79A 19 -20,-1.4 -20,-0.5 -2,-0.3 -26,-0.2 -0.994 35.3-125.2-151.2 150.8 20.0 -41.9 83.1 100 246 A Q S S- 0 0 131 -2,-0.3 -27,-1.0 1,-0.2 2,-0.3 0.997 90.8 -19.5 -52.1 -73.0 16.6 -40.1 82.7 101 247 A f B S-I 72 0E 45 -29,-0.2 -29,-0.2 1,-0.1 -1,-0.2 -0.815 74.0 -93.3-132.0 172.5 18.0 -36.6 83.2 102 248 A T - 0 0 5 -31,-2.8 -1,-0.1 -2,-0.3 3,-0.1 -0.117 56.5 -80.0 -74.4 175.7 21.0 -34.9 84.6 103 249 A H - 0 0 44 1,-0.1 -32,-0.4 -33,-0.1 -1,-0.2 -0.245 62.3 -75.6 -71.6 166.7 21.1 -33.5 88.2 104 250 A G - 0 0 25 -34,-0.1 2,-0.4 -36,-0.1 -34,-0.2 -0.457 53.2-161.3 -61.8 136.9 19.5 -30.2 89.1 105 251 A I B -H 69 0D 8 -36,-1.0 -36,-2.4 -2,-0.1 12,-0.1 -0.939 17.5-134.8-133.5 114.9 21.6 -27.3 87.9 106 252 A R - 0 0 118 -2,-0.4 2,-2.5 10,-0.4 -39,-0.1 -0.509 17.1-143.0 -60.5 113.4 21.5 -23.7 89.0 107 253 A P + 0 0 8 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.388 36.8 174.2 -74.8 59.0 21.5 -21.6 85.9 108 254 A V - 0 0 31 -2,-2.5 2,-0.6 7,-0.2 184,-0.0 -0.524 23.4-146.0 -72.4 135.8 23.7 -19.1 87.7 109 255 A V + 0 0 2 -2,-0.2 93,-1.1 93,-0.1 2,-0.3 -0.902 42.3 118.5-105.2 118.4 25.0 -16.2 85.6 110 256 A S B -J 201 0F 0 -2,-0.6 177,-0.4 91,-0.2 91,-0.2 -0.996 47.4-127.0-169.1 165.5 28.5 -15.0 86.6 111 257 A S S S+ 0 0 0 89,-2.2 2,-4.4 -2,-0.3 175,-0.2 -0.647 82.2 4.2-112.2 168.1 32.1 -14.4 85.9 112 258 A Q S S+ 0 0 0 173,-2.3 155,-2.8 -2,-0.2 2,-0.3 -0.093 120.6 54.1 60.0 -56.6 35.3 -15.3 87.8 113 259 A L E S-M 266 0G 0 -2,-4.4 2,-0.6 153,-0.2 153,-0.2 -0.850 73.0-139.1-114.1 147.3 33.5 -17.4 90.4 114 260 A L E -M 265 0G 11 151,-2.8 150,-2.7 -2,-0.3 151,-1.2 -0.927 28.1-157.5-104.6 112.8 31.1 -20.3 90.1 115 261 A L E -M 263 0G 6 -2,-0.6 148,-0.2 148,-0.2 -7,-0.2 -0.668 60.5 -1.5 -98.0 142.3 28.3 -19.9 92.6 116 262 A N S S+ 0 0 55 146,-3.3 -10,-0.4 -2,-0.3 -1,-0.2 0.795 95.1 135.5 59.4 34.6 26.0 -22.5 94.1 117 263 A G - 0 0 26 145,-0.5 2,-0.2 -3,-0.4 -1,-0.1 -0.352 60.7 -68.5-106.7-176.2 27.4 -25.4 92.0 118 264 A S - 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