==== 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 2NY1 . 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 11 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 66.4 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 . 323 35.0 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 . 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 . 121 13.1 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 . 54 5.9 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 3 0 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 0 2 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 . 6 8 11 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 4 7 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 0 153 0, 0.0 2,-0.3 0, 0.0 98,-0.2 0.000 360.0 360.0 360.0 -58.4 19.9 -45.7 87.3 2 84 A V E -A 98 0A 90 96,-2.0 96,-2.7 2,-0.0 2,-0.6 -0.910 360.0-140.7-145.6 117.4 21.7 -48.7 85.8 3 85 A V E -A 97 0A 90 -2,-0.3 2,-0.6 94,-0.2 94,-0.3 -0.643 20.1-132.4 -81.7 116.2 25.5 -49.2 85.9 4 86 A L > - 0 0 52 92,-1.3 3,-0.9 -2,-0.6 92,-0.5 -0.555 24.7-132.6 -70.4 110.7 26.9 -50.7 82.7 5 87 A V T 3 S- 0 0 124 -2,-0.6 -1,-0.1 1,-0.2 90,-0.1 -0.485 78.1 -6.0 -73.3 126.3 29.1 -53.6 83.7 6 88 A N T 3 S+ 0 0 179 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.887 95.0 142.5 61.4 45.0 32.6 -53.7 82.1 7 89 A V < - 0 0 48 -3,-0.9 2,-0.5 87,-0.5 89,-0.4 -0.963 36.5-159.2-120.6 131.9 32.0 -50.8 79.7 8 90 A T - 0 0 94 -2,-0.4 2,-0.4 87,-0.1 86,-0.2 -0.940 16.0-178.0-110.3 129.4 34.6 -48.1 78.7 9 91 A E E -D 93 0B 43 84,-2.5 84,-2.7 -2,-0.5 2,-0.4 -0.987 22.6-131.1-134.8 133.2 33.3 -44.8 77.4 10 92 A N E -D 92 0B 109 -2,-0.4 2,-0.3 82,-0.2 80,-0.0 -0.685 24.9-170.1 -84.2 128.1 35.0 -41.7 76.0 11 93 A F E -D 91 0B 7 80,-2.3 80,-1.7 -2,-0.4 2,-0.2 -0.847 14.0-176.6-112.0 152.0 33.8 -38.3 77.4 12 94 A N E > -D 90 0B 69 -2,-0.3 3,-1.5 78,-0.2 78,-0.2 -0.685 3.7-176.3-146.9 94.2 34.6 -34.8 76.2 13 95 A M T 3 S+ 0 0 2 76,-1.8 3,-0.4 1,-0.3 77,-0.1 0.616 84.4 60.6 -64.3 -14.6 33.1 -32.1 78.4 14 96 A W T 3 S+ 0 0 29 1,-0.3 -1,-0.3 75,-0.1 2,-0.2 0.624 110.0 40.2 -89.9 -15.4 34.4 -29.4 76.0 15 97 A K S < S+ 0 0 169 -3,-1.5 2,-0.5 4,-0.0 -1,-0.3 -0.614 83.0 138.5-128.4 70.0 32.5 -30.7 73.1 16 98 A N >> - 0 0 9 -3,-0.4 3,-1.5 -2,-0.2 4,-1.1 -0.954 43.5-157.5-124.5 112.6 29.1 -31.6 74.7 17 99 A D H 3> S+ 0 0 116 -2,-0.5 4,-2.1 1,-0.3 5,-0.1 0.674 92.6 69.3 -63.0 -17.8 25.8 -30.8 73.0 18 100 A M H 3> S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.849 97.3 51.9 -65.8 -34.9 24.1 -30.9 76.4 19 101 A V H <> S+ 0 0 1 -3,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.908 108.9 49.6 -66.8 -43.4 26.0 -27.7 77.2 20 102 A E H X S+ 0 0 72 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.882 111.6 49.0 -61.4 -41.8 24.7 -26.1 74.0 21 103 A Q H X S+ 0 0 96 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.926 111.6 47.9 -63.9 -47.8 21.2 -27.1 74.7 22 104 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.878 109.9 54.3 -61.3 -37.5 21.3 -25.8 78.3 23 105 A H H X S+ 0 0 13 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.930 110.4 44.7 -62.9 -45.1 22.8 -22.5 77.0 24 106 A E H X S+ 0 0 120 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.862 113.7 51.8 -66.7 -35.4 19.9 -22.0 74.5 25 107 A D H X S+ 0 0 61 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.902 111.1 45.2 -67.7 -43.4 17.4 -22.9 77.2 26 108 A I H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.905 110.2 54.9 -70.1 -40.4 18.7 -20.5 79.8 27 109 A a H X S+ 0 0 16 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.888 110.5 47.1 -57.1 -39.1 19.0 -17.7 77.2 28 110 A S H X S+ 0 0 59 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.863 107.2 55.0 -72.0 -38.6 15.3 -18.3 76.4 29 111 A L H X S+ 0 0 57 -4,-2.0 4,-1.5 1,-0.2 5,-0.2 0.912 110.2 48.8 -59.5 -41.7 14.2 -18.3 80.1 30 112 A W H X S+ 0 0 16 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.885 108.8 50.9 -66.9 -43.2 15.9 -14.9 80.4 31 113 A D H < S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.946 118.6 37.6 -58.6 -49.1 14.3 -13.3 77.4 32 114 A Q H < S+ 0 0 147 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.722 126.1 38.8 -76.8 -21.5 10.8 -14.4 78.5 33 115 A S H < S+ 0 0 42 -4,-1.5 2,-0.5 -5,-0.2 -3,-0.2 0.885 111.2 50.5 -99.1 -50.0 11.4 -13.8 82.2 34 116 A L < - 0 0 16 -4,-2.5 -1,-0.2 -5,-0.2 27,-0.1 -0.837 65.3-169.0 -94.8 124.4 13.6 -10.6 82.4 35 117 A K - 0 0 75 -2,-0.5 2,-0.1 25,-0.3 -4,-0.1 -0.935 7.5-153.5-118.0 112.0 12.3 -7.6 80.5 36 118 A P - 0 0 9 0, 0.0 21,-0.3 0, 0.0 213,-0.2 -0.398 22.5-126.5 -70.5 154.6 14.7 -4.5 80.2 37 119 A b S S+ 0 0 4 211,-2.5 20,-1.5 1,-0.3 2,-0.3 0.829 98.7 7.8 -66.8 -36.6 13.2 -1.0 79.7 38 120 A V E -EF 56 248C 1 210,-1.3 210,-2.8 18,-0.2 2,-0.4 -0.989 68.9-169.7-143.8 137.8 15.4 -0.8 76.6 39 121 A K E -EF 55 247C 36 16,-2.2 16,-2.3 -2,-0.3 2,-0.4 -1.000 5.6-163.6-130.9 138.5 17.6 -3.3 74.8 40 122 A L E +EF 54 246C 19 206,-3.4 206,-2.7 -2,-0.4 14,-0.2 -0.964 9.8 174.5-120.5 130.1 20.1 -2.6 72.1 41 123 A T E -E 53 0C 22 12,-2.0 12,-3.0 -2,-0.4 204,-0.2 -0.993 29.9-115.8-131.6 144.2 21.7 -5.0 69.7 42 124 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 10,-0.1 -0.319 23.1-176.0 -75.4 158.0 24.0 -4.2 66.7 43 125 A L + 0 0 86 -2,-0.0 8,-2.4 328,-0.0 2,-0.1 -0.681 20.4 149.7-151.5 95.9 23.2 -4.8 63.1 44 126 A c + 0 0 11 323,-0.5 2,-3.8 6,-0.2 6,-0.1 -0.514 16.1 179.5-124.9 63.0 26.1 -3.9 60.7 45 127 A V - 0 0 88 1,-0.2 323,-0.1 -2,-0.1 5,-0.0 -0.160 63.5 -88.4 -67.5 53.4 25.6 -6.3 57.8 46 128 A G S S+ 0 0 76 -2,-3.8 -1,-0.2 1,-0.1 3,-0.1 0.680 101.0 120.0 51.5 20.9 28.6 -5.0 55.9 47 129 A A S S- 0 0 87 1,-0.2 2,-0.6 2,-0.1 -1,-0.1 0.580 78.6-117.1 -89.4 -11.0 26.3 -2.5 54.3 48 194 A G S S+ 0 0 62 -4,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.901 90.1 59.3 115.8-103.1 28.3 0.5 55.6 49 195 A S S S- 0 0 122 -2,-0.6 -2,-0.1 1,-0.1 0, 0.0 -0.498 86.7-125.4 -67.4 122.6 26.3 2.7 58.0 50 196 A c - 0 0 63 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.115 13.6-151.1 -67.8 163.5 25.2 0.5 61.0 51 197 A N - 0 0 115 -8,-2.4 2,-0.2 2,-0.0 -6,-0.1 -0.767 9.8-153.8-140.3 92.0 21.6 0.1 62.2 52 198 A T - 0 0 72 -2,-0.3 2,-0.6 -10,-0.1 -12,-0.0 -0.434 16.7-131.0 -64.9 131.8 21.2 -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 -0.785 26.2-165.9 -86.4 123.2 18.0 -2.5 66.8 54 200 A V E -E 40 0C 66 -2,-0.6 2,-0.5 -14,-0.2 -14,-0.2 -0.948 9.7-174.5-117.9 124.2 16.2 -0.8 69.7 55 201 A I E -E 39 0C 68 -16,-2.3 -16,-2.2 -2,-0.5 2,-0.4 -0.972 1.3-173.2-117.4 128.3 13.4 -2.4 71.7 56 202 A T E +E 38 0C 40 -2,-0.5 2,-0.3 -18,-0.2 -18,-0.2 -0.981 20.2 151.2-120.6 130.9 11.6 -0.4 74.4 57 203 A Q - 0 0 50 -20,-1.5 -2,-0.0 -2,-0.4 -22,-0.0 -0.970 50.5 -62.0-153.0 163.6 9.0 -2.2 76.6 58 204 A A - 0 0 58 -2,-0.3 524,-0.0 1,-0.1 -20,-0.0 -0.201 45.6-151.9 -49.6 143.2 7.3 -2.3 80.0 59 205 A b - 0 0 22 524,-0.2 191,-0.2 -22,-0.0 -22,-0.1 -0.416 15.3-176.1-127.8 52.7 9.9 -2.9 82.7 60 206 A P - 0 0 90 0, 0.0 2,-0.6 0, 0.0 -25,-0.3 -0.221 28.2-122.2 -65.3 139.6 8.3 -4.7 85.7 61 207 A K + 0 0 70 -27,-0.1 2,-0.4 188,-0.0 144,-0.1 -0.704 41.2 171.2 -80.3 117.1 10.5 -5.3 88.7 62 208 A V - 0 0 70 -2,-0.6 2,-0.6 143,-0.2 -29,-0.0 -0.991 34.5-125.4-134.4 130.2 10.6 -9.0 89.4 63 209 A S - 0 0 93 -2,-0.4 2,-0.3 142,-0.1 142,-0.1 -0.610 27.5-146.9 -73.8 117.1 12.8 -11.0 91.9 64 210 A F + 0 0 26 -2,-0.6 140,-0.4 142,-0.0 141,-0.4 -0.673 19.0 179.2 -87.6 138.3 14.6 -13.7 89.9 65 211 A E - 0 0 146 -2,-0.3 138,-0.0 139,-0.1 -2,-0.0 -0.745 27.0-128.4-147.7 91.8 15.2 -17.0 91.8 66 212 A P - 0 0 27 0, 0.0 42,-0.1 0, 0.0 40,-0.1 -0.098 22.1-157.2 -52.6 124.1 17.0 -19.8 89.9 67 213 A I - 0 0 118 40,-0.1 38,-0.1 38,-0.1 -2,-0.0 -0.850 27.4-101.7-103.3 135.7 15.1 -23.1 90.1 68 214 A P - 0 0 60 0, 0.0 2,-0.4 0, 0.0 38,-0.3 -0.265 38.0-156.8 -53.4 137.9 17.0 -26.5 89.6 69 215 A I B -H 105 0D 37 36,-2.3 36,-2.5 34,-0.1 2,-0.4 -0.969 2.4-152.5-120.7 138.7 16.5 -27.9 86.1 70 216 A H - 0 0 115 -2,-0.4 2,-0.6 34,-0.2 34,-0.1 -0.898 4.9-149.3-107.9 137.5 16.9 -31.6 85.1 71 217 A Y - 0 0 38 -2,-0.4 31,-2.5 32,-0.3 2,-0.2 -0.927 16.1-175.6-106.7 119.4 17.8 -32.8 81.7 72 218 A d B -I 101 0E 68 -2,-0.6 29,-0.2 29,-0.3 28,-0.1 -0.672 43.5 -67.4-104.1 165.9 16.4 -36.1 80.6 73 219 A A - 0 0 44 27,-1.3 2,-0.1 -2,-0.2 -1,-0.1 -0.191 48.8-125.0 -55.7 135.1 17.3 -37.9 77.3 74 220 A P > - 0 0 67 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.508 50.8 -70.6 -74.1 152.5 16.1 -36.3 74.1 75 221 A A T 3 S+ 0 0 105 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.190 124.8 15.9 -48.8 119.9 14.0 -38.5 71.8 76 222 A G T 3 S+ 0 0 33 1,-0.3 229,-1.9 -3,-0.1 -1,-0.3 0.446 114.2 88.7 95.4 3.1 16.2 -41.2 70.2 77 223 A F E < -B 304 0A 83 -3,-2.3 -1,-0.3 227,-0.2 2,-0.3 -0.742 57.5-146.0-128.1 171.7 19.1 -40.7 72.7 78 224 A A E -B 303 0A 13 225,-2.1 225,-2.8 -2,-0.2 2,-0.6 -0.960 18.3-125.9-134.8 155.1 20.4 -41.9 76.1 79 225 A I E -BC 302 99A 2 20,-0.7 20,-2.3 -2,-0.3 2,-0.4 -0.913 20.1-162.4-105.7 119.4 22.4 -40.1 78.8 80 226 A L E -BC 301 98A 12 221,-2.7 221,-1.9 -2,-0.6 2,-0.4 -0.821 6.4-159.2 -96.5 138.4 25.6 -41.7 80.0 81 227 A K E -BC 300 97A 58 16,-3.2 16,-2.7 -2,-0.4 2,-0.4 -0.973 12.2-135.1-122.1 129.4 27.0 -40.7 83.3 82 228 A e E - C 0 96A 6 217,-2.9 14,-0.2 -2,-0.4 5,-0.1 -0.683 13.2-168.4 -83.2 133.5 30.6 -41.1 84.4 83 229 A N + 0 0 53 12,-3.3 2,-0.2 -2,-0.4 13,-0.1 0.565 44.3 123.2-101.6 -12.0 31.0 -42.4 88.0 84 230 A N > - 0 0 78 11,-0.5 3,-1.6 1,-0.2 -2,-0.1 -0.358 60.5-141.2 -51.2 116.7 34.7 -41.8 88.5 85 231 A K T 3 S+ 0 0 125 1,-0.3 36,-0.6 -2,-0.2 37,-0.3 0.791 97.5 31.8 -55.8 -33.1 34.7 -39.6 91.6 86 232 A T T 3 S+ 0 0 63 35,-0.1 -1,-0.3 34,-0.1 2,-0.2 -0.217 81.7 165.2-121.8 42.9 37.5 -37.4 90.3 87 233 A F < - 0 0 10 -3,-1.6 6,-0.1 1,-0.1 4,-0.0 -0.403 32.6-148.3 -62.6 126.0 36.9 -37.5 86.6 88 234 A N - 0 0 84 -2,-0.2 -1,-0.1 2,-0.1 40,-0.1 0.666 38.7-117.1 -72.3 -16.1 38.9 -34.8 84.7 89 235 A G S S+ 0 0 0 38,-0.1 -76,-1.8 -77,-0.0 2,-0.4 0.105 90.0 71.6 105.8 -22.1 36.1 -34.5 82.1 90 236 A T E S+D 12 0B 51 -78,-0.2 -78,-0.2 -77,-0.1 -2,-0.1 -0.931 81.7 36.4-132.9 110.7 38.0 -35.6 79.0 91 237 A G E S-D 11 0B 20 -80,-1.7 -80,-2.3 -2,-0.4 2,-0.2 -0.891 94.1 -24.6 147.4-174.5 39.1 -39.1 78.4 92 238 A P E -D 10 0B 87 0, 0.0 2,-0.5 0, 0.0 -82,-0.2 -0.470 48.8-158.5 -67.0 133.8 38.1 -42.8 78.9 93 239 A e E -D 9 0B 2 -84,-2.7 -84,-2.5 -2,-0.2 3,-0.2 -0.982 10.1-176.9-113.6 121.0 35.6 -43.4 81.8 94 240 A T S S+ 0 0 108 -2,-0.5 2,-1.0 -86,-0.2 -87,-0.5 0.840 75.1 56.8 -86.2 -37.0 35.7 -47.0 83.0 95 241 A N S S+ 0 0 78 -89,-0.1 -12,-3.3 -86,-0.1 -11,-0.5 -0.767 76.6 154.3 -98.3 90.1 32.9 -46.8 85.5 96 242 A V E - 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