==== 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 3IDX . 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, . 749 5 13 10 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 262 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 93 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 6 6 10 5 9 11 1 0 1 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 . 4 1 7 1 0 3 0 0 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 0 167 0, 0.0 2,-0.5 0, 0.0 98,-0.2 0.000 360.0 360.0 360.0 -92.7 16.5 -21.5 99.2 2 84 G V E -A 98 0A 88 96,-1.6 96,-3.4 1,-0.0 2,-0.7 -0.697 360.0-145.7 -89.3 126.0 18.4 -24.6 98.0 3 85 G V E -A 97 0A 74 -2,-0.5 2,-1.5 94,-0.3 94,-0.2 -0.806 10.6-142.9 -91.5 110.8 22.2 -24.7 98.2 4 86 G L E > -A 96 0A 53 92,-1.5 3,-1.3 -2,-0.7 92,-0.7 -0.562 25.2-150.2 -72.5 90.0 23.7 -26.6 95.2 5 87 G V T 3 S+ 0 0 101 -2,-1.5 3,-0.1 1,-0.2 90,-0.1 -0.342 71.5 7.6 -68.8 140.0 26.5 -28.4 97.1 6 88 G N T 3 S+ 0 0 167 1,-0.2 2,-0.4 88,-0.2 -1,-0.2 0.688 97.1 133.8 64.7 20.8 29.7 -29.3 95.2 7 89 G V < - 0 0 49 -3,-1.3 2,-0.5 89,-0.2 89,-0.4 -0.868 39.4-164.9-107.0 136.1 28.5 -27.3 92.1 8 90 G T - 0 0 87 -2,-0.4 2,-0.3 -3,-0.1 86,-0.2 -0.973 15.3-177.5-120.2 115.3 30.6 -24.8 90.2 9 91 G E E -D 93 0B 64 84,-1.8 84,-3.3 -2,-0.5 2,-0.6 -0.801 22.8-127.5-117.2 155.8 28.8 -22.5 87.9 10 92 G N E -D 92 0B 96 -2,-0.3 2,-0.2 82,-0.2 80,-0.0 -0.900 25.9-172.5-108.0 117.5 29.9 -19.8 85.5 11 93 G F E -D 91 0B 8 80,-2.6 80,-1.9 -2,-0.6 2,-0.1 -0.556 14.3-172.4 -98.9 165.7 28.3 -16.3 85.7 12 94 G N E > -D 90 0B 67 78,-0.2 3,-2.0 -2,-0.2 78,-0.2 -0.523 2.2-177.0-157.5 85.6 28.7 -13.3 83.4 13 95 G W G > S+ 0 0 5 76,-1.9 3,-0.7 1,-0.3 6,-0.1 0.694 83.6 62.4 -60.5 -20.0 27.0 -10.2 84.9 14 96 G a G 3 S+ 0 0 40 1,-0.3 -1,-0.3 75,-0.2 76,-0.1 0.687 107.0 43.2 -81.8 -19.7 27.9 -8.2 81.7 15 97 G K G < S+ 0 0 181 -3,-2.0 2,-0.6 4,-0.0 -1,-0.3 -0.477 85.5 132.0-116.9 56.8 25.7 -10.5 79.6 16 98 G N X> - 0 0 12 -3,-0.7 3,-0.8 1,-0.1 4,-0.7 -0.932 42.1-164.3-116.7 114.7 22.8 -10.7 82.0 17 99 G D H 3> S+ 0 0 102 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.651 84.6 73.2 -76.0 -13.8 19.3 -10.1 80.6 18 100 G M H 3> S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.926 94.2 56.4 -58.2 -44.2 17.8 -9.5 84.1 19 101 G V H <> S+ 0 0 1 -3,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.859 109.5 43.7 -54.8 -42.3 19.6 -6.1 84.0 20 102 G E H X S+ 0 0 62 -4,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.855 113.1 51.3 -75.2 -35.7 17.9 -5.1 80.7 21 103 G Q H X S+ 0 0 78 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.883 112.9 44.4 -69.5 -39.0 14.5 -6.3 81.8 22 104 G M H X S+ 0 0 4 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.954 110.0 54.0 -70.0 -51.4 14.6 -4.5 85.1 23 105 G H H < S+ 0 0 73 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.812 116.0 42.8 -51.2 -32.0 15.9 -1.3 83.6 24 106 G E H < S+ 0 0 151 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.876 127.6 22.1 -81.0 -41.5 13.0 -1.4 81.1 25 107 G D H < S+ 0 0 117 -4,-2.0 2,-0.4 -5,-0.1 -3,-0.2 0.628 91.9 99.4-111.6 -19.5 10.1 -2.4 83.4 26 108 G I < - 0 0 44 -4,-2.9 2,-0.4 -5,-0.2 43,-0.0 -0.616 42.9-178.8 -85.1 127.9 10.8 -1.5 87.0 27 109 G b - 0 0 42 -2,-0.4 215,-0.1 216,-0.1 -3,-0.0 -0.952 33.3-102.1-122.1 145.0 9.3 1.7 88.5 28 110 G S - 0 0 27 -2,-0.4 2,-0.4 176,-0.1 215,-0.1 -0.290 36.9-162.6 -61.9 144.2 9.8 3.0 92.0 29 111 G L - 0 0 70 38,-0.4 38,-2.6 78,-0.1 2,-0.4 -0.985 4.7-163.8-132.0 143.5 6.9 2.5 94.5 30 112 G W E -E 66 0C 28 -2,-0.4 2,-0.3 36,-0.3 34,-0.1 -0.957 3.1-170.9-127.4 146.3 6.2 4.1 97.8 31 113 G D E -E 65 0C 101 34,-2.7 34,-2.5 -2,-0.4 2,-0.2 -0.969 34.6 -98.1-132.9 151.1 3.9 3.2 100.7 32 114 G Q E -E 64 0C 126 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.479 44.0-166.8 -68.4 130.5 2.8 5.1 103.8 33 115 G S E -E 63 0C 38 30,-3.1 30,-1.1 -2,-0.2 2,-0.4 -0.920 13.0-150.8-122.6 149.2 4.8 4.1 106.8 34 116 G L E -E 62 0C 126 -2,-0.3 28,-0.1 28,-0.2 25,-0.0 -0.965 9.9-176.5-116.6 131.1 4.3 4.7 110.5 35 117 G K - 0 0 94 26,-0.6 26,-0.1 -2,-0.4 -2,-0.0 -0.471 22.8-176.0-121.7 61.3 7.2 5.0 113.0 36 118 G P + 0 0 102 0, 0.0 2,-0.3 0, 0.0 23,-0.2 -0.168 5.5 174.2 -60.0 145.8 5.3 5.3 116.3 37 119 G c E -F 58 0D 45 21,-1.0 21,-2.4 2,-0.0 2,-0.4 -0.863 23.8-126.4-137.6 174.1 7.0 5.9 119.6 38 120 G V E -F 57 0D 97 -2,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.976 13.5-146.8-124.5 145.1 6.0 6.6 123.2 39 121 G K E -F 56 0D 117 17,-3.1 17,-2.5 -2,-0.4 2,-0.5 -0.914 6.8-157.0-108.3 132.8 7.2 9.5 125.4 40 122 G L E -F 55 0D 118 -2,-0.5 15,-0.2 15,-0.2 -2,-0.0 -0.951 14.7-179.3-110.1 127.6 7.6 9.0 129.1 41 123 G T E -F 54 0D 74 13,-2.3 13,-3.2 -2,-0.5 2,-0.1 -0.971 25.7-128.5-132.8 119.5 7.4 12.2 131.2 42 124 G P E -F 53 0D 76 0, 0.0 2,-1.0 0, 0.0 11,-0.3 -0.417 14.4-143.0 -63.8 136.7 7.8 12.5 135.0 43 125 G L + 0 0 85 9,-2.7 8,-0.2 1,-0.2 9,-0.1 -0.594 36.6 160.8 -99.6 68.0 4.9 14.4 136.5 44 126 G d + 0 0 61 -2,-1.0 4,-0.3 6,-0.2 5,-0.3 0.945 8.6 159.8 -56.2 -59.6 7.1 16.2 139.1 45 127 G V > + 0 0 112 -3,-0.2 3,-1.2 2,-0.1 2,-0.3 -0.068 48.2 13.2 57.3-170.5 4.8 19.1 140.0 46 128 G G T 3 S- 0 0 69 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.613 122.9 -5.5 -78.4 137.6 5.5 20.7 143.4 47 129 G A T 3 S- 0 0 108 -2,-0.3 -1,-0.3 3,-0.0 -2,-0.1 -0.652 103.7 -69.9-133.5 55.9 7.8 20.3 144.9 48 194 G G S < S+ 0 0 62 -3,-1.2 2,-0.7 -4,-0.3 -2,-0.1 0.318 87.6 112.0 125.2 -5.9 10.3 17.7 143.8 49 195 G S + 0 0 98 -5,-0.3 2,-0.5 -4,-0.1 -1,-0.2 -0.883 37.3 179.5-102.6 113.5 8.5 14.4 144.3 50 196 G d + 0 0 47 -2,-0.7 -6,-0.2 1,-0.1 -5,-0.1 -0.620 20.8 150.0-115.1 71.6 7.6 12.6 141.1 51 197 G N + 0 0 155 -2,-0.5 2,-0.3 -7,-0.2 -1,-0.1 0.076 63.7 66.9 -88.7 25.5 5.8 9.4 141.9 52 198 G T - 0 0 65 -9,-0.1 -9,-2.7 2,-0.0 2,-0.4 -0.994 60.4-168.1-141.4 145.9 3.9 9.6 138.7 53 199 G S E -F 42 0D 70 -2,-0.3 2,-0.5 -11,-0.3 -13,-0.0 -0.987 17.0-136.3-131.8 146.5 4.8 9.5 135.0 54 200 G V E -F 41 0D 59 -13,-3.2 -13,-2.3 -2,-0.4 2,-0.5 -0.892 13.4-154.9-103.3 128.4 2.7 10.3 132.0 55 201 G I E +F 40 0D 114 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.917 19.3 179.6-105.5 123.7 2.9 7.9 129.1 56 202 G T E -F 39 0D 55 -17,-2.5 -17,-3.1 -2,-0.5 2,-0.4 -0.959 27.3-129.2-129.0 140.3 2.1 9.5 125.7 57 203 G Q E +F 38 0D 178 -2,-0.4 -19,-0.2 -19,-0.2 2,-0.2 -0.723 44.8 152.8 -86.6 139.1 1.9 8.3 122.1 58 204 G A E +F 37 0D 17 -21,-2.4 -21,-1.0 -2,-0.4 -1,-0.0 -0.616 30.7 77.1-144.7-161.7 4.0 10.4 119.7 59 205 G c + 0 0 62 -23,-0.2 -24,-0.4 -2,-0.2 -1,-0.1 0.893 50.3 163.6 49.6 52.3 5.9 10.6 116.5 60 206 G P + 0 0 114 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.222 23.4 127.0 -89.6 14.3 2.7 10.6 114.4 61 207 G K - 0 0 187 -26,-0.1 2,-0.6 1,-0.0 -26,-0.6 -0.584 49.0-149.5 -74.6 130.7 4.3 11.9 111.2 62 208 G V E +E 34 0C 63 -2,-0.3 2,-0.3 -28,-0.1 -28,-0.2 -0.902 21.2 173.7-102.2 119.1 3.5 9.7 108.2 63 209 G S E -E 33 0C 28 -30,-1.1 -30,-3.1 -2,-0.6 2,-0.5 -0.737 32.6-110.6-115.0 170.6 6.1 9.5 105.5 64 210 G F E -E 32 0C 31 193,-2.5 195,-0.4 -2,-0.3 -32,-0.2 -0.906 29.9-165.7-105.1 124.0 6.3 7.4 102.4 65 211 G E E -E 31 0C 53 -34,-2.5 -34,-2.7 -2,-0.5 2,-0.1 -0.814 28.9-101.7-105.6 150.6 9.0 4.7 102.3 66 212 G P E -E 30 0C 32 0, 0.0 -36,-0.3 0, 0.0 40,-0.0 -0.455 32.3-129.5 -68.7 139.3 10.1 2.8 99.1 67 213 G I - 0 0 62 -38,-2.6 -38,-0.4 -2,-0.1 2,-0.1 -0.814 25.4-115.2 -91.8 128.9 8.6 -0.7 98.6 68 214 G P - 0 0 43 0, 0.0 2,-0.4 0, 0.0 38,-0.2 -0.383 27.8-148.9 -62.6 134.4 11.2 -3.4 97.9 69 215 G I B -G 105 0E 28 36,-2.9 36,-2.5 -2,-0.1 2,-0.4 -0.918 8.6-160.0-110.5 133.7 10.9 -4.9 94.4 70 216 G H - 0 0 99 -2,-0.4 2,-0.6 34,-0.2 34,-0.1 -0.929 13.0-139.2-114.6 132.5 11.8 -8.6 93.7 71 217 G Y - 0 0 33 -2,-0.4 31,-1.9 32,-0.3 2,-0.5 -0.802 24.6-162.6 -85.7 124.8 12.6 -10.1 90.3 72 218 G e B -H 101 0F 69 -2,-0.6 29,-0.2 29,-0.2 28,-0.1 -0.935 18.2-119.6-115.8 129.0 11.0 -13.6 90.2 73 219 G A - 0 0 21 27,-1.7 3,-0.1 -2,-0.5 4,-0.1 -0.356 35.5-110.5 -64.2 139.3 12.0 -16.3 87.7 74 220 G P > - 0 0 69 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.112 48.8 -70.4 -64.5 163.3 9.1 -17.5 85.3 75 221 G A T 3 S+ 0 0 103 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.320 124.8 25.5 -57.3 135.1 7.6 -21.0 85.6 76 222 G G T 3 S+ 0 0 49 1,-0.3 230,-2.1 -3,-0.1 2,-0.3 0.505 113.9 82.1 85.3 5.1 10.0 -23.6 84.4 77 223 G F E < -B 305 0A 80 -3,-1.8 -1,-0.3 228,-0.3 2,-0.3 -0.851 55.4-165.3-131.6 170.5 13.0 -21.5 85.3 78 224 G A E -B 304 0A 12 226,-2.7 226,-2.9 -2,-0.3 2,-0.5 -0.973 22.1-113.4-152.0 166.7 15.1 -20.6 88.3 79 225 G I E -BC 303 99A 0 20,-2.0 20,-2.6 -2,-0.3 2,-0.4 -0.911 19.7-149.3-109.2 122.0 17.6 -18.1 89.5 80 226 G L E -BC 302 98A 13 222,-2.9 222,-1.3 -2,-0.5 2,-0.5 -0.762 16.6-159.5 -85.9 132.4 21.2 -19.1 90.4 81 227 G K E -BC 301 97A 49 16,-2.6 16,-2.2 -2,-0.4 2,-0.3 -0.958 12.8-135.1-121.9 120.8 22.7 -17.0 93.1 82 228 G f E - 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