==== 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 IMMUNE SYSTEM 22-JUL-09 3IDY . COMPND 2 MOLECULE: HIV-1 HXBC2 GP120 CORE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR L.CHEN,Y.D.KWON,T.ZHOU,X.WU,S.O'DELL,L.CAVACINI,A.J.HESSELL, . 1495 11 26 17 9 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 939 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 493 33.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 170 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 4 0 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 2 2 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 . 14 11 19 15 19 13 5 0 0 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 . 6 4 12 2 0 4 0 2 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 G E 0 0 152 0, 0.0 2,-0.4 0, 0.0 98,-0.2 0.000 360.0 360.0 360.0 -63.9 17.3 -24.2 46.4 2 84 G V E -A 98 0A 91 96,-1.8 96,-0.5 2,-0.0 2,-0.5 -0.869 360.0-149.0-129.2 99.7 19.2 -27.3 45.4 3 85 G V E -A 97 0A 88 -2,-0.4 94,-0.3 94,-0.2 2,-0.1 -0.531 18.2-128.6 -73.5 116.4 23.0 -27.1 45.8 4 86 G L E -A 96 0A 55 92,-1.0 92,-0.6 -2,-0.5 2,-0.5 -0.419 22.5-133.4 -64.4 133.6 24.9 -29.1 43.2 5 87 G V S S- 0 0 119 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.808 72.0 -22.7 -99.3 123.5 27.5 -31.4 44.8 6 88 G N S S+ 0 0 170 -2,-0.5 2,-0.2 88,-0.2 -1,-0.2 0.288 102.0 129.4 69.6 -12.5 31.0 -31.7 43.4 7 89 G V - 0 0 66 89,-0.1 2,-0.4 1,-0.0 89,-0.3 -0.524 40.7-163.5 -79.3 138.8 29.7 -30.4 40.1 8 90 G T - 0 0 77 -2,-0.2 2,-0.2 -3,-0.1 86,-0.2 -0.976 5.7-172.5-124.6 138.4 31.5 -27.5 38.3 9 91 G E E -D 93 0B 68 84,-0.9 84,-1.5 -2,-0.4 2,-0.5 -0.739 26.4-106.3-121.6 169.8 30.1 -25.4 35.5 10 92 G N E -D 92 0B 104 -2,-0.2 2,-0.3 82,-0.2 80,-0.1 -0.877 31.6-167.3-103.3 122.8 31.4 -22.7 33.1 11 93 G F E +D 91 0B 6 80,-2.8 80,-2.0 -2,-0.5 2,-0.2 -0.800 15.6 172.7-105.8 149.2 30.4 -19.1 33.6 12 94 G N > + 0 0 66 -2,-0.3 3,-1.6 78,-0.2 78,-0.2 -0.637 3.3 179.9-152.6 91.3 30.9 -16.1 31.3 13 95 G W G > S+ 0 0 8 1,-0.3 3,-0.7 -2,-0.2 6,-0.1 0.734 80.4 63.6 -69.5 -24.1 29.1 -13.0 32.5 14 96 G a G 3 S+ 0 0 40 1,-0.3 -1,-0.3 114,-0.1 115,-0.0 0.433 109.5 42.7 -81.4 1.6 30.2 -10.9 29.6 15 97 G K G < S+ 0 0 174 -3,-1.6 2,-0.5 4,-0.0 -1,-0.3 -0.502 84.2 130.2-137.7 65.5 28.2 -13.2 27.4 16 98 G N X> - 0 0 12 -3,-0.7 3,-0.9 1,-0.1 4,-0.8 -0.945 43.9-160.0-129.4 107.7 25.1 -13.6 29.5 17 99 G D H 3> S+ 0 0 96 -2,-0.5 4,-2.9 1,-0.3 5,-0.2 0.686 86.2 73.5 -68.0 -18.4 21.7 -13.0 27.8 18 100 G M H 3> S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.961 95.8 53.0 -52.8 -51.2 20.0 -12.4 31.2 19 101 G V H <> S+ 0 0 0 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.913 110.5 45.7 -51.8 -50.3 21.7 -9.0 31.2 20 102 G E H X S+ 0 0 58 -4,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.948 118.6 41.8 -60.5 -50.5 20.4 -8.2 27.7 21 103 G Q H X S+ 0 0 57 -4,-2.9 4,-2.3 1,-0.2 3,-0.5 0.989 113.1 51.2 -58.5 -62.6 16.9 -9.3 28.5 22 104 G M H < S+ 0 0 4 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.766 114.2 49.1 -45.2 -28.5 16.8 -7.8 32.0 23 105 G H H < S+ 0 0 63 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.2 0.875 111.8 43.1 -85.0 -41.3 17.9 -4.6 30.3 24 106 G E H < S+ 0 0 133 -4,-2.3 -2,-0.2 -3,-0.5 -3,-0.2 0.971 125.2 32.3 -68.2 -55.3 15.4 -4.4 27.4 25 107 G D S < S+ 0 0 107 -4,-2.3 220,-0.0 -5,-0.2 0, 0.0 0.014 88.1 84.5 -77.8-164.6 12.5 -5.3 29.5 26 108 G I - 0 0 50 81,-0.0 2,-0.2 217,-0.0 43,-0.0 0.826 45.6-165.3 75.7 113.7 12.2 -4.4 33.2 27 109 G b - 0 0 41 1,-0.1 215,-0.0 216,-0.1 -2,-0.0 -0.627 30.6-108.1-115.7-178.8 10.9 -1.2 34.7 28 110 G S - 0 0 19 -2,-0.2 39,-0.6 78,-0.1 -1,-0.1 0.964 40.0-169.8 -82.2 -54.6 11.3 0.1 38.3 29 111 G L - 0 0 71 37,-0.1 38,-2.5 1,-0.1 2,-0.4 0.794 6.4-149.8 66.5 119.8 7.8 -0.1 39.9 30 112 G W E -E 66 0C 28 36,-0.2 2,-0.3 34,-0.0 -1,-0.1 -0.958 7.1-163.7-122.2 140.0 7.1 1.5 43.3 31 113 G D E -E 65 0C 101 34,-2.5 34,-2.7 -2,-0.4 2,-0.1 -0.908 30.9-101.9-118.2 150.2 4.6 0.4 46.0 32 114 G Q E -E 64 0C 120 -2,-0.3 2,-0.4 32,-0.2 32,-0.2 -0.390 40.0-163.1 -64.7 144.7 3.2 2.4 48.9 33 115 G S E -E 63 0C 30 30,-2.3 30,-1.4 -2,-0.1 2,-0.5 -0.987 13.1-155.0-140.1 128.4 4.9 1.5 52.2 34 116 G L - 0 0 122 -2,-0.4 28,-0.1 28,-0.2 27,-0.1 -0.892 9.4-178.6-102.4 123.6 3.8 2.2 55.8 35 117 G K - 0 0 119 -2,-0.5 2,-0.1 26,-0.5 26,-0.0 -0.719 18.6-173.1-120.4 78.8 6.6 2.4 58.4 36 118 G P - 0 0 105 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.410 7.5-173.1 -80.1 146.1 4.7 3.0 61.6 37 119 G c E -G 58 0D 46 21,-2.0 21,-4.2 -2,-0.1 2,-0.4 -0.893 14.5-139.5-128.5 158.9 6.3 3.7 65.0 38 120 G V E -G 57 0D 95 -2,-0.3 2,-0.4 19,-0.3 19,-0.3 -0.987 12.2-159.6-119.2 138.3 4.8 4.0 68.4 39 121 G K E -G 56 0D 123 17,-3.2 17,-2.6 -2,-0.4 2,-0.4 -0.868 3.1-166.5-109.5 143.5 5.8 6.6 71.0 40 122 G L E -G 55 0D 115 -2,-0.4 15,-0.2 15,-0.2 -2,-0.0 -0.978 6.7-177.2-133.7 128.3 5.2 6.4 74.7 41 123 G T E -G 54 0D 68 13,-1.6 13,-3.2 -2,-0.4 2,-0.1 -0.912 26.7-114.9-121.2 144.6 5.6 9.3 77.0 42 124 G P E -G 53 0D 88 0, 0.0 2,-0.7 0, 0.0 11,-0.3 -0.459 19.8-132.7 -76.6 151.6 5.3 9.4 80.8 43 125 G L E -G 52 0D 83 9,-2.4 9,-0.6 -2,-0.1 2,-0.3 -0.736 22.9-171.7-107.7 82.7 2.5 11.4 82.5 44 126 G d + 0 0 95 -2,-0.7 6,-0.2 6,-0.2 9,-0.0 -0.549 10.5 169.9 -70.1 134.3 4.0 13.4 85.3 45 127 G V - 0 0 114 4,-0.6 -1,-0.2 -2,-0.3 5,-0.1 0.788 62.4 -18.1-110.4 -65.7 1.3 15.1 87.4 46 128 G G S S- 0 0 67 3,-0.2 2,-0.4 1,-0.0 -2,-0.1 0.663 114.0 -26.3-109.8 -91.8 2.6 16.7 90.6 47 129 G A S S- 0 0 97 -3,-0.0 -1,-0.0 0, 0.0 3,-0.0 -0.914 121.5 -23.6-138.7 110.0 6.0 15.7 92.0 48 194 G G S S+ 0 0 83 -2,-0.4 2,-1.6 1,-0.1 -4,-0.0 0.375 98.6 124.4 73.7 -5.5 7.5 12.3 91.3 49 195 G S + 0 0 49 1,-0.1 2,-0.9 2,-0.0 -4,-0.6 -0.381 17.1 144.0 -87.6 58.9 4.0 11.0 90.7 50 196 G d + 0 0 53 -2,-1.6 -6,-0.2 1,-0.2 -1,-0.1 -0.365 16.0 143.7 -89.2 53.4 4.6 9.6 87.2 51 197 G N + 0 0 150 -2,-0.9 -1,-0.2 -8,-0.2 2,-0.2 0.860 56.1 51.1 -60.3 -39.7 2.3 6.7 87.8 52 198 G T E -G 43 0D 71 -9,-0.6 -9,-2.4 -3,-0.3 2,-0.3 -0.508 60.8-161.9-105.6 167.2 0.9 6.6 84.3 53 199 G S E -G 42 0D 67 -11,-0.3 2,-0.6 -2,-0.2 -2,-0.0 -0.994 14.0-137.3-147.7 146.3 2.2 6.4 80.7 54 200 G V E -G 41 0D 63 -13,-3.2 -13,-1.6 -2,-0.3 2,-0.3 -0.883 11.7-161.7-117.4 107.0 0.6 7.2 77.3 55 201 G I E +G 40 0D 110 -2,-0.6 2,-0.3 -15,-0.2 -15,-0.2 -0.668 19.9 169.8 -86.9 136.4 1.2 4.9 74.4 56 202 G T E -G 39 0D 57 -17,-2.6 -17,-3.2 -2,-0.3 2,-0.3 -0.995 30.9-118.7-153.1 139.4 0.4 6.4 71.0 57 203 G Q E +G 38 0D 174 -2,-0.3 -19,-0.3 -19,-0.3 2,-0.2 -0.631 37.5 173.2 -90.1 138.5 1.0 5.5 67.4 58 204 G A E +G 37 0D 21 -21,-4.2 -21,-2.0 -2,-0.3 -1,-0.0 -0.696 35.3 67.8-131.0 177.0 3.2 7.7 65.0 59 205 G c + 0 0 58 -23,-0.2 -24,-0.4 -2,-0.2 -1,-0.1 0.914 39.2 168.5 81.6 53.0 4.8 8.1 61.6 60 206 G P + 0 0 114 0, 0.0 -25,-0.1 0, 0.0 -2,-0.0 0.860 30.7 126.6 -62.9 -41.4 2.0 8.4 59.1 61 207 G K - 0 0 191 1,-0.1 2,-0.6 -27,-0.1 -26,-0.5 0.199 51.5-148.4 -26.9 116.2 4.1 9.6 56.2 62 208 G V - 0 0 59 -28,-0.1 2,-0.3 -30,-0.0 -28,-0.2 -0.859 20.9-178.2 -92.9 122.1 3.4 7.3 53.3 63 209 G S E -E 33 0C 25 -30,-1.4 -30,-2.3 -2,-0.6 2,-0.5 -0.835 26.4-120.3-115.5 157.2 6.4 6.8 51.0 64 210 G F E -Ef 32 258C 34 193,-1.6 195,-0.8 -2,-0.3 -32,-0.2 -0.859 29.5-166.0 -96.6 132.8 6.9 4.9 47.8 65 211 G E E -E 31 0C 42 -34,-2.7 -34,-2.5 -2,-0.5 2,-0.1 -0.887 27.1 -99.3-119.3 149.1 9.5 2.1 47.9 66 212 G P E -E 30 0C 28 0, 0.0 -36,-0.2 0, 0.0 -37,-0.1 -0.399 33.4-131.5 -69.7 139.9 11.1 0.2 45.0 67 213 G I - 0 0 59 -38,-2.5 2,-0.1 -39,-0.6 38,-0.0 -0.820 22.7-118.1 -95.7 127.0 9.7 -3.3 44.3 68 214 G P - 0 0 44 0, 0.0 2,-0.4 0, 0.0 38,-0.2 -0.390 25.0-151.7 -60.6 132.7 12.2 -6.1 43.9 69 215 G I B -H 105 0E 29 36,-3.0 36,-2.2 -2,-0.1 2,-0.4 -0.934 6.9-161.3-109.9 133.7 12.2 -7.8 40.5 70 216 G H - 0 0 97 -2,-0.4 2,-0.7 34,-0.2 34,-0.1 -0.941 13.8-139.6-112.5 133.1 13.3 -11.4 40.1 71 217 G Y - 0 0 28 -2,-0.4 31,-2.5 32,-0.4 2,-0.4 -0.836 25.4-158.9 -86.6 120.5 14.4 -13.0 36.8 72 218 G e B -I 101 0F 69 -2,-0.7 29,-0.2 29,-0.2 28,-0.1 -0.863 20.8-110.8-106.4 133.9 12.9 -16.5 36.8 73 219 G A - 0 0 18 27,-2.6 3,-0.2 -2,-0.4 6,-0.1 -0.361 41.7-112.4 -59.4 134.4 14.2 -19.3 34.6 74 220 G P > - 0 0 65 0, 0.0 3,-1.5 0, 0.0 2,-0.5 0.174 50.7 -61.1 -56.9-179.4 11.7 -20.1 31.8 75 221 G A T 3 S+ 0 0 100 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.585 126.7 12.3 -72.8 117.9 9.7 -23.4 31.6 76 222 G G T 3 S+ 0 0 51 -2,-0.5 230,-1.5 1,-0.4 2,-0.3 0.457 114.6 87.4 95.7 2.1 12.2 -26.3 31.3 77 223 G F E < -B 305 0A 84 -3,-1.5 -1,-0.4 228,-0.2 2,-0.3 -0.780 55.0-160.1-123.5 171.3 15.3 -24.3 32.2 78 224 G A E -B 304 0A 15 226,-3.2 226,-2.8 -2,-0.3 2,-0.5 -0.902 20.0-111.4-143.4 174.1 17.0 -23.3 35.4 79 225 G I E -BC 303 99A 0 20,-1.9 20,-2.1 -2,-0.3 2,-0.5 -0.943 20.4-148.0-113.8 128.4 19.5 -20.8 36.8 80 226 G L E -BC 302 98A 5 222,-3.2 222,-1.0 -2,-0.5 2,-0.5 -0.826 16.7-160.3 -94.8 131.8 23.0 -21.7 38.0 81 227 G K E -BC 301 97A 51 16,-2.2 16,-2.3 -2,-0.5 2,-0.3 -0.947 11.9-138.2-121.6 124.5 24.3 -19.6 40.8 82 228 G f E - C 0 96A 5 218,-2.2 14,-0.2 -2,-0.5 5,-0.1 -0.625 15.5-176.8 -77.1 132.3 27.9 -19.2 41.9 83 229 G N + 0 0 52 12,-2.1 2,-0.6 -2,-0.3 -1,-0.1 0.493 45.2 120.2-105.4 -8.8 28.4 -19.3 45.6 84 230 G N > - 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