==== 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 2NY5 . 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 . 920 6 15 12 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 325 35.3 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 . 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 . 87 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 7.4 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 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 . 1 0 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 . 9 7 11 14 7 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 . 1 2 9 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 G E 0 0 158 0, 0.0 2,-0.5 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 -69.8 19.7 -46.0 87.6 2 84 G V E -A 98 0A 83 96,-1.5 96,-2.6 2,-0.0 2,-0.1 -0.943 360.0-162.8-122.2 109.3 21.2 -48.5 85.1 3 85 G V E -A 97 0A 112 -2,-0.5 2,-0.3 94,-0.2 94,-0.2 -0.444 4.9-147.1 -84.8 160.9 24.8 -49.4 85.7 4 86 G L - 0 0 54 92,-1.5 92,-0.3 -2,-0.1 2,-0.3 -0.977 9.7-167.6-131.0 144.9 27.1 -51.1 83.1 5 87 G V + 0 0 122 -2,-0.3 3,-0.1 1,-0.1 90,-0.1 -0.953 69.1 20.7-131.0 154.4 30.0 -53.6 83.4 6 88 G N S S+ 0 0 175 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.815 95.8 118.2 59.7 33.7 32.7 -54.8 81.0 7 89 G V - 0 0 57 87,-0.4 2,-0.4 -3,-0.2 89,-0.3 -0.980 49.4-158.8-136.3 121.3 32.2 -51.6 78.9 8 90 G T - 0 0 88 -2,-0.4 2,-0.4 -3,-0.1 86,-0.2 -0.837 9.5-168.5-101.3 133.8 34.7 -48.9 78.2 9 91 G E E -D 93 0B 49 84,-0.7 84,-0.9 -2,-0.4 2,-0.6 -0.964 14.6-143.9-129.4 121.3 33.6 -45.3 77.2 10 92 G N E -D 92 0B 104 -2,-0.4 2,-0.3 82,-0.2 80,-0.0 -0.687 22.5-166.0 -80.4 120.2 35.7 -42.5 75.8 11 93 G F E -D 91 0B 8 80,-2.5 80,-1.7 -2,-0.6 2,-0.2 -0.709 14.8-171.3-100.4 156.6 34.6 -39.1 77.1 12 94 G N E > -D 90 0B 81 -2,-0.3 3,-1.6 78,-0.2 78,-0.2 -0.711 2.5-177.2-146.7 96.9 35.5 -35.7 75.8 13 95 G W T 3 S+ 0 0 11 76,-1.8 3,-0.4 1,-0.3 77,-0.1 0.680 82.8 59.4 -71.5 -18.9 34.3 -32.9 78.0 14 96 G a T 3 S+ 0 0 39 1,-0.2 -1,-0.3 75,-0.2 2,-0.1 0.454 108.5 47.2 -87.2 -2.2 35.6 -30.1 75.7 15 97 G K S < S+ 0 0 170 -3,-1.6 2,-0.5 4,-0.0 -1,-0.2 -0.551 80.7 139.9-134.0 68.6 33.4 -31.5 72.8 16 98 G N >> - 0 0 14 -3,-0.4 3,-1.0 1,-0.1 4,-0.9 -0.954 42.3-158.4-126.5 119.3 30.0 -32.0 74.5 17 99 G D H 3> S+ 0 0 117 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.750 91.7 66.5 -63.1 -29.0 26.6 -31.2 72.9 18 100 G M H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.851 96.6 56.1 -62.4 -34.5 24.9 -31.0 76.3 19 101 G V H <> S+ 0 0 1 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.901 110.4 43.4 -65.5 -41.9 27.0 -27.9 77.0 20 102 G E H X S+ 0 0 83 -4,-0.9 4,-1.3 2,-0.2 -2,-0.2 0.927 113.9 49.9 -70.2 -46.6 25.8 -26.0 73.9 21 103 G Q H X S+ 0 0 79 -4,-2.5 4,-1.9 1,-0.2 3,-0.5 0.923 111.9 48.7 -57.1 -46.5 22.1 -27.1 74.3 22 104 G M H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.851 103.9 60.8 -64.0 -35.4 22.1 -26.0 78.0 23 105 G H H X S+ 0 0 17 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.849 108.3 43.4 -62.3 -34.9 23.7 -22.6 77.1 24 106 G E H X S+ 0 0 131 -4,-1.3 4,-2.6 -3,-0.5 -1,-0.2 0.872 111.7 52.3 -78.1 -39.8 20.7 -21.8 74.8 25 107 G D H X S+ 0 0 80 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.893 111.4 48.4 -61.4 -40.7 18.1 -23.0 77.3 26 108 G I H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.941 110.8 49.5 -66.4 -48.2 19.6 -20.9 80.0 27 109 G b H X S+ 0 0 20 -4,-1.7 4,-3.4 1,-0.2 5,-0.2 0.941 110.2 51.6 -53.7 -50.9 19.7 -17.8 77.8 28 110 G S H X S+ 0 0 57 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.872 111.0 48.9 -53.2 -41.0 16.1 -18.3 76.8 29 111 G L H X S+ 0 0 65 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.947 115.3 40.9 -68.8 -49.5 15.2 -18.5 80.5 30 112 G W H X S+ 0 0 37 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.935 112.7 57.0 -64.1 -46.8 17.1 -15.4 81.6 31 113 G D H < S+ 0 0 84 -4,-3.4 -2,-0.2 -5,-0.3 -1,-0.2 0.934 117.2 33.0 -44.2 -56.6 15.9 -13.5 78.5 32 114 G Q H < S+ 0 0 110 -4,-2.1 -1,-0.2 -5,-0.2 3,-0.2 0.720 120.5 50.4 -81.1 -22.8 12.2 -14.2 79.3 33 115 G S H < S+ 0 0 47 -4,-2.3 2,-0.7 1,-0.2 -3,-0.2 0.945 116.5 33.7 -78.9 -51.4 12.5 -14.1 83.1 34 116 G L S < S- 0 0 20 -4,-2.6 -1,-0.2 -5,-0.2 27,-0.1 -0.873 79.2-164.8-113.6 99.7 14.4 -10.8 83.6 35 117 G K - 0 0 73 -2,-0.7 2,-0.2 25,-0.3 -3,-0.1 -0.716 10.7-136.0 -97.0 129.8 13.4 -8.2 80.9 36 118 G P - 0 0 4 0, 0.0 21,-0.3 0, 0.0 213,-0.2 -0.533 12.3-133.2 -83.0 144.6 15.5 -5.1 80.2 37 119 G c S S+ 0 0 5 211,-1.3 20,-1.5 1,-0.2 2,-0.3 0.833 96.8 18.1 -61.1 -35.5 14.0 -1.6 79.7 38 120 G V E -EF 56 248C 0 210,-1.4 210,-2.3 18,-0.2 2,-0.4 -0.995 67.6-163.8-141.7 136.0 16.2 -1.2 76.7 39 121 G K E -EF 55 247C 41 16,-2.5 16,-1.9 -2,-0.3 2,-0.5 -0.977 5.5-170.5-119.8 129.0 18.2 -3.7 74.5 40 122 G L E +EF 54 246C 15 206,-3.4 206,-2.8 -2,-0.4 14,-0.2 -0.970 9.8 168.7-121.3 121.3 21.0 -2.8 72.1 41 123 G T E -E 53 0C 30 12,-2.0 12,-2.7 -2,-0.5 204,-0.2 -0.987 33.8-116.8-127.6 140.4 22.5 -5.3 69.6 42 124 G P - 0 0 32 0, 0.0 2,-0.2 0, 0.0 10,-0.2 -0.423 25.4-174.0 -71.4 150.1 24.9 -4.5 66.7 43 125 G L + 0 0 87 8,-0.3 8,-2.4 -2,-0.1 3,-0.2 -0.757 14.2 162.2-145.6 95.4 23.7 -5.2 63.2 44 126 G d + 0 0 13 -2,-0.2 6,-0.1 6,-0.2 4,-0.1 -0.384 25.0 131.1-115.4 53.6 26.4 -4.6 60.5 45 127 G V + 0 0 116 -2,-0.2 2,-0.2 6,-0.1 -1,-0.2 0.912 56.0 76.8 -69.4 -44.7 25.0 -6.5 57.5 46 128 G G S S- 0 0 42 3,-0.3 2,-2.1 -3,-0.2 5,-0.1 -0.488 88.8-119.7 -74.8 134.1 25.5 -3.7 55.1 47 129 G A S S+ 0 0 118 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.496 97.8 15.4 -72.7 80.2 29.1 -3.0 53.8 48 194 G G S S+ 0 0 71 -2,-2.1 2,-0.2 1,-0.2 -1,-0.1 -0.636 111.6 50.4 160.6 -95.6 29.3 0.5 55.1 49 195 G S - 0 0 101 -2,-0.2 2,-0.4 1,-0.0 -3,-0.3 -0.548 69.1-139.2 -76.9 137.9 26.9 2.0 57.7 50 196 G d - 0 0 66 -2,-0.2 2,-0.6 -6,-0.1 -6,-0.2 -0.793 11.2-150.6 -96.8 143.4 26.3 -0.0 60.9 51 197 G N - 0 0 110 -8,-2.4 2,-0.4 -2,-0.4 -8,-0.3 -0.931 2.1-150.4-121.2 109.4 22.8 -0.3 62.3 52 198 G T - 0 0 85 -2,-0.6 2,-0.5 -10,-0.2 -12,-0.0 -0.659 16.5-139.8 -75.6 126.6 22.2 -0.7 66.0 53 199 G S E -E 41 0C 48 -12,-2.7 -12,-2.0 -2,-0.4 2,-0.4 -0.792 22.0-164.4 -87.8 126.4 19.0 -2.6 66.6 54 200 G V E -E 40 0C 65 -2,-0.5 2,-0.4 -14,-0.2 -14,-0.2 -0.920 11.6-173.7-117.6 136.3 17.1 -1.1 69.5 55 201 G I E -E 39 0C 78 -16,-1.9 -16,-2.5 -2,-0.4 2,-0.4 -0.997 1.9-170.7-128.6 132.5 14.2 -2.6 71.6 56 202 G T E +E 38 0C 41 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.987 20.7 152.3-122.1 129.7 12.2 -0.8 74.2 57 203 G Q - 0 0 46 -20,-1.5 2,-0.2 -2,-0.4 -2,-0.0 -0.958 50.5 -73.9-152.0 164.3 9.8 -2.6 76.5 58 204 G A - 0 0 62 -2,-0.3 -23,-0.0 1,-0.1 523,-0.0 -0.455 43.2-159.9 -64.7 131.7 8.1 -2.7 79.9 59 205 G c - 0 0 27 -2,-0.2 191,-0.2 -25,-0.0 -22,-0.1 -0.696 5.9-168.7-123.3 78.7 10.6 -3.8 82.5 60 206 G P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -25,-0.3 -0.384 29.5-112.1 -69.0 141.2 9.0 -5.2 85.7 61 207 G K + 0 0 66 -2,-0.1 2,-0.3 -27,-0.1 144,-0.1 -0.586 43.5 177.3 -74.5 130.9 11.3 -5.7 88.7 62 208 G V + 0 0 60 -2,-0.3 2,-0.3 143,-0.1 -29,-0.0 -0.997 12.0 170.8-140.3 139.6 11.7 -9.4 89.5 63 209 G S + 0 0 81 -2,-0.3 2,-0.3 142,-0.1 -2,-0.0 -0.895 14.3 135.0-154.7 122.3 13.7 -11.4 92.1 64 210 G F - 0 0 138 -2,-0.3 141,-0.1 3,-0.0 3,-0.1 -0.967 57.1 -91.7-160.5 150.6 13.7 -15.0 93.1 65 211 G E - 0 0 170 -2,-0.3 -2,-0.0 1,-0.1 138,-0.0 -0.558 54.0-104.6 -72.5 114.3 16.4 -17.7 93.8 66 212 G P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 -0.033 34.2-129.2 -38.5 124.7 17.1 -19.6 90.6 67 213 G I - 0 0 113 1,-0.1 38,-0.1 40,-0.1 -3,-0.0 -0.613 31.5 -95.8 -80.8 138.6 15.5 -23.1 90.7 68 214 G P - 0 0 43 0, 0.0 2,-0.4 0, 0.0 38,-0.3 -0.250 41.9-151.5 -52.6 137.1 17.7 -26.1 89.9 69 215 G I B -H 105 0D 57 36,-3.2 36,-2.5 -3,-0.1 2,-0.3 -0.891 4.5-150.9-114.9 148.2 17.4 -27.1 86.2 70 216 G H - 0 0 106 -2,-0.4 2,-0.5 34,-0.2 34,-0.1 -0.857 8.5-138.3-116.0 149.9 17.9 -30.6 84.8 71 217 G Y - 0 0 19 32,-0.4 31,-2.4 -2,-0.3 2,-0.3 -0.948 26.0-174.7-105.0 126.0 19.1 -31.8 81.5 72 218 G e B -I 101 0E 64 -2,-0.5 29,-0.2 29,-0.2 28,-0.1 -0.859 32.4 -90.9-119.8 156.8 17.2 -34.8 80.1 73 219 G A - 0 0 40 27,-1.4 2,-0.1 -2,-0.3 3,-0.1 -0.446 37.7-132.5 -71.3 127.3 17.7 -36.9 77.0 74 220 G P > - 0 0 58 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.453 47.5 -69.0 -73.9 151.0 15.9 -35.8 73.8 75 221 G A T 3 S+ 0 0 106 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.080 124.0 21.6 -42.8 127.3 14.0 -38.4 71.7 76 222 G G T 3 S+ 0 0 53 1,-0.3 229,-2.2 -3,-0.1 -1,-0.3 -0.078 109.7 84.4 104.6 -32.3 16.5 -40.8 70.1 77 223 G F E < -B 304 0A 92 -3,-2.5 -1,-0.3 227,-0.2 2,-0.3 -0.419 57.0-148.7-103.5 174.3 19.4 -40.2 72.5 78 224 G A E -B 303 0A 19 225,-2.1 225,-2.3 -2,-0.1 2,-0.7 -0.966 15.7-126.4-138.9 156.4 20.7 -41.5 75.8 79 225 G I E -BC 302 99A 0 20,-0.8 20,-2.7 -2,-0.3 2,-0.3 -0.885 20.9-165.6-110.5 108.4 22.8 -40.0 78.7 80 226 G L E -BC 301 98A 19 221,-2.0 221,-1.8 -2,-0.7 2,-0.4 -0.666 7.2-162.3 -86.7 145.3 25.9 -41.8 79.8 81 227 G K E -BC 300 97A 50 16,-3.6 16,-1.4 -2,-0.3 2,-0.4 -0.994 12.7-138.1-133.1 134.4 27.5 -40.9 83.2 82 228 G f E - 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