==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 17-AUG-11 3TGT . COMPND 2 MOLECULE: HIV-1 CLADE A/E 93TH057 GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.D.KWON,P.D.KWONG . 342 3 8 4 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 28.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.3 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 . 44 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 0 0 0 0 2 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 . 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 3 0 9 4 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 1 0 0 0 0 0 1 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 44 A V 0 0 119 0, 0.0 343,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 153.5 23.8 17.1 0.0 2 45 A W E -A 343 0A 60 341,-0.2 2,-0.3 342,-0.1 341,-0.2 -0.873 360.0-144.1-152.5 169.4 20.9 14.6 -0.1 3 46 A K E -A 342 0A 147 339,-1.6 339,-3.1 -2,-0.3 2,-0.0 -0.989 41.7 -91.8-144.7 144.0 18.6 12.2 1.7 4 47 A D E +A 341 0A 105 -2,-0.3 2,-0.3 337,-0.2 337,-0.3 -0.339 60.3 163.1 -53.2 131.5 17.0 8.9 0.6 5 48 A A - 0 0 20 335,-1.6 2,-0.4 2,-0.0 335,-0.2 -0.983 35.6-130.9-149.7 157.0 13.6 9.7 -0.9 6 49 A D + 0 0 116 -2,-0.3 2,-0.3 333,-0.1 49,-0.0 -0.917 34.8 153.6-107.2 141.2 10.9 8.3 -3.1 7 50 A T - 0 0 34 -2,-0.4 2,-0.6 334,-0.0 -2,-0.0 -0.969 51.7 -82.5-153.3 164.8 9.4 10.2 -6.0 8 51 A T - 0 0 114 -2,-0.3 2,-0.1 95,-0.0 49,-0.0 -0.593 48.0-152.9 -71.8 116.1 7.7 9.4 -9.3 9 52 A L - 0 0 15 -2,-0.6 2,-0.3 94,-0.1 94,-0.2 -0.315 1.3-142.4 -76.1 167.3 10.4 8.6 -11.9 10 53 A F E -E 102 0B 91 92,-2.3 92,-3.1 -2,-0.1 2,-0.3 -0.839 15.4-123.9-121.1 169.9 10.0 9.1 -15.6 11 54 A a E -E 101 0B 6 19,-0.5 21,-2.4 -2,-0.3 2,-0.3 -0.841 16.8-167.4-114.7 156.1 11.4 6.9 -18.4 12 55 A A E +Ef 100 32B 3 88,-1.9 88,-3.3 -2,-0.3 2,-0.3 -0.966 16.8 156.7-134.9 149.3 13.6 7.5 -21.4 13 56 A S E - f 0 33B 7 19,-1.9 21,-0.8 -2,-0.3 86,-0.1 -0.968 49.0-117.0-160.1 170.6 14.2 5.3 -24.5 14 57 A D + 0 0 107 84,-0.5 85,-0.1 -2,-0.3 10,-0.1 -0.078 53.7 160.8-105.2 30.4 15.4 5.2 -28.1 15 58 A A - 0 0 23 83,-0.1 2,-0.5 8,-0.1 -2,-0.1 -0.186 39.8-125.3 -50.9 142.6 12.0 3.8 -29.3 16 59 A K > - 0 0 86 1,-0.1 3,-1.2 2,-0.0 12,-0.1 -0.834 8.1-147.9 -95.9 127.3 11.4 4.3 -33.0 17 60 A A T 3 S+ 0 0 87 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.725 97.0 53.0 -68.9 -21.0 8.1 6.2 -33.8 18 61 A H T 3 S+ 0 0 158 -3,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.526 88.3 102.7 -90.2 -6.6 7.6 4.3 -37.0 19 62 A E < - 0 0 62 -3,-1.2 -4,-0.0 1,-0.1 0, 0.0 -0.506 53.9-162.9 -80.9 141.1 7.9 0.9 -35.4 20 63 A T + 0 0 109 -2,-0.2 73,-0.4 4,-0.1 -1,-0.1 0.525 54.2 121.0 -95.3 -10.8 4.8 -1.2 -34.6 21 64 A E S > S- 0 0 7 1,-0.1 4,-2.2 71,-0.1 3,-0.3 -0.314 71.7-125.7 -51.0 133.3 6.8 -3.4 -32.2 22 65 A V H > S+ 0 0 15 71,-2.6 4,-2.6 1,-0.2 5,-0.2 0.762 103.7 51.4 -69.7 -28.7 4.8 -3.0 -28.9 23 66 A H H > S+ 0 0 1 2,-0.2 4,-2.8 70,-0.2 -1,-0.2 0.891 112.4 49.6 -72.0 -38.9 7.6 -1.9 -26.6 24 67 A N H > S+ 0 0 6 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.926 111.7 48.2 -57.0 -48.6 8.6 0.8 -29.1 25 68 A V H X S+ 0 0 57 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.943 114.1 46.3 -60.3 -47.2 4.9 1.9 -29.3 26 69 A W H >X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 3,-0.5 0.934 115.8 44.2 -61.2 -48.1 4.6 2.0 -25.6 27 70 A A H 3X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.830 105.0 63.2 -70.5 -30.8 7.8 3.9 -25.0 28 71 A T H 3< S+ 0 0 50 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.860 118.5 27.8 -56.9 -36.9 7.1 6.3 -27.9 29 72 A H H << S+ 0 0 154 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.711 128.3 40.3 -97.0 -25.0 4.1 7.5 -25.9 30 73 A A H < S+ 0 0 49 -4,-2.4 -19,-0.5 -5,-0.2 2,-0.3 0.506 112.3 47.7-106.2 -6.7 5.1 6.9 -22.3 31 74 A a < - 0 0 17 -4,-1.8 -19,-0.3 -5,-0.2 3,-0.1 -0.863 69.6-127.4-134.0 162.9 8.8 8.0 -22.3 32 75 A V E -f 12 0B 73 -21,-2.4 -19,-1.9 -2,-0.3 -2,-0.1 -0.596 44.8 -78.2-102.9 169.4 11.0 10.8 -23.5 33 76 A P E -f 13 0B 111 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.291 52.4-104.2 -62.9 152.4 14.1 10.6 -25.7 34 77 A T - 0 0 37 -21,-0.8 3,-0.1 -22,-0.1 -21,-0.0 -0.310 33.8-105.0 -70.3 163.1 17.4 9.6 -24.1 35 78 A D - 0 0 72 1,-0.1 -1,-0.1 -2,-0.0 96,-0.0 -0.813 21.9-158.5 -90.2 122.1 20.1 12.1 -23.3 36 79 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.773 91.7 38.8 -73.1 -24.4 22.9 11.8 -25.8 37 80 A N S S- 0 0 122 -3,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.581 84.0-176.3-124.6 68.4 25.4 13.4 -23.4 38 81 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 -0.389 19.9-129.0 -73.5 140.3 24.4 12.1 -19.9 39 82 A Q + 0 0 124 -2,-0.1 91,-0.7 2,-0.0 2,-0.3 -0.679 25.6 176.1 -89.1 137.2 26.2 13.3 -16.8 40 83 A E E -B 129 0A 101 -2,-0.3 2,-0.5 89,-0.1 89,-0.2 -0.908 8.7-167.7-140.2 116.8 27.7 10.9 -14.2 41 84 A I E -B 128 0A 99 87,-1.8 87,-2.3 -2,-0.3 2,-0.4 -0.888 17.5-136.6-106.8 124.8 29.6 12.4 -11.2 42 85 A H E -B 127 0A 98 -2,-0.5 2,-1.0 85,-0.2 85,-0.3 -0.676 20.6-135.1 -75.3 128.6 31.8 10.3 -8.9 43 86 A L > - 0 0 21 83,-2.7 3,-1.6 -2,-0.4 83,-0.5 -0.758 25.3-128.4 -89.5 102.7 31.1 11.3 -5.4 44 87 A E T 3 S- 0 0 150 -2,-1.0 3,-0.1 1,-0.3 81,-0.0 -0.223 78.4 -13.9 -62.2 137.3 34.6 11.6 -3.8 45 88 A N T 3 S+ 0 0 165 1,-0.2 2,-0.5 79,-0.0 -1,-0.3 0.745 98.8 145.0 35.0 39.4 35.2 9.8 -0.5 46 89 A V < - 0 0 31 -3,-1.6 80,-0.5 78,-0.2 2,-0.5 -0.865 33.0-165.8-102.5 131.2 31.4 9.3 -0.2 47 90 A T - 0 0 57 -2,-0.5 2,-0.3 -3,-0.1 77,-0.2 -0.979 10.5-178.2-115.9 128.5 29.9 6.1 1.3 48 91 A E E -H 123 0C 28 75,-1.8 75,-2.4 -2,-0.5 2,-0.4 -0.936 22.5-128.7-125.7 146.7 26.2 5.4 0.8 49 92 A N E -H 122 0C 103 -2,-0.3 2,-0.3 73,-0.2 71,-0.0 -0.772 25.5-172.2 -93.2 138.8 24.0 2.6 2.1 50 93 A F E -H 121 0C 8 71,-2.4 71,-2.6 -2,-0.4 2,-0.2 -0.886 14.8-170.7-123.9 156.4 21.8 0.8 -0.4 51 94 A N E > -H 120 0C 64 -2,-0.3 3,-1.8 69,-0.2 69,-0.3 -0.727 2.1-173.2-148.2 94.4 19.1 -1.8 0.1 52 95 A M T 3 S+ 0 0 1 67,-3.2 3,-0.3 1,-0.3 68,-0.1 0.678 85.7 62.0 -61.4 -18.6 17.9 -3.4 -3.2 53 96 A W T 3 S+ 0 0 18 1,-0.3 -1,-0.3 66,-0.2 2,-0.2 0.526 108.1 41.2 -88.9 -8.5 15.2 -5.2 -1.3 54 97 A K S < S+ 0 0 160 -3,-1.8 2,-0.4 4,-0.0 -1,-0.3 -0.707 82.7 128.3-135.7 79.0 13.5 -1.9 -0.2 55 98 A N >> - 0 0 16 -3,-0.3 3,-2.2 -2,-0.2 4,-0.7 -0.887 46.1-157.9-147.4 101.4 13.8 0.2 -3.3 56 99 A N H 3> S+ 0 0 52 -2,-0.4 4,-2.1 1,-0.3 5,-0.2 0.646 87.6 77.9 -60.7 -16.2 10.7 1.9 -4.7 57 100 A M H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.860 93.3 53.6 -56.4 -34.7 12.4 2.1 -8.2 58 101 A V H <> S+ 0 0 0 -3,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.940 106.0 48.9 -65.6 -49.7 11.5 -1.6 -8.4 59 102 A E H X S+ 0 0 51 -4,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.879 112.3 51.4 -60.2 -34.8 7.8 -1.1 -7.7 60 103 A Q H X S+ 0 0 22 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.904 108.8 47.9 -71.3 -42.0 7.8 1.7 -10.3 61 104 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.918 110.9 52.7 -62.2 -40.6 9.3 -0.4 -13.0 62 105 A Q H X S+ 0 0 27 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.924 106.3 54.0 -59.7 -45.4 6.8 -3.1 -12.2 63 106 A E H X S+ 0 0 122 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.928 110.1 47.1 -54.8 -47.7 4.1 -0.6 -12.6 64 107 A D H X S+ 0 0 45 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.918 111.2 49.3 -60.7 -46.7 5.4 0.4 -16.1 65 108 A V H X S+ 0 0 3 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.902 110.0 51.8 -66.1 -36.2 5.8 -3.2 -17.4 66 109 A I H X S+ 0 0 50 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.939 112.3 46.4 -61.2 -45.9 2.3 -4.1 -16.2 67 110 A S H X S+ 0 0 44 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.906 112.3 50.5 -62.7 -46.3 0.9 -1.0 -18.1 68 111 A L H X S+ 0 0 3 -4,-3.1 4,-1.2 1,-0.2 3,-0.2 0.966 114.2 43.8 -55.4 -52.9 3.0 -1.9 -21.2 69 112 A W H X S+ 0 0 9 -4,-2.9 4,-2.7 1,-0.2 3,-0.4 0.905 110.1 57.2 -62.2 -39.0 1.7 -5.5 -21.2 70 113 A D H < S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.855 115.2 35.5 -62.6 -36.4 -1.9 -4.4 -20.4 71 114 A Q H < S+ 0 0 117 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.584 125.4 40.2 -94.1 -5.3 -2.0 -2.2 -23.5 72 115 A S H < S+ 0 0 18 -4,-1.2 2,-0.5 -3,-0.4 -2,-0.2 0.782 108.2 51.5-110.3 -36.2 0.1 -4.4 -25.8 73 116 A L < + 0 0 11 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.558 62.4 173.3-112.5 66.1 -0.8 -8.1 -25.2 74 117 A Q - 0 0 93 -2,-0.5 2,-0.1 -3,-0.2 -4,-0.1 -0.572 20.9-148.0 -64.7 121.4 -4.6 -8.4 -25.4 75 118 A P - 0 0 1 0, 0.0 212,-0.2 0, 0.0 3,-0.2 -0.474 22.0-118.0 -81.2 167.5 -5.6 -12.1 -25.2 76 119 A b S S+ 0 0 26 210,-2.4 11,-2.0 1,-0.3 2,-0.4 0.857 103.6 19.7 -67.5 -36.8 -8.7 -13.3 -27.2 77 120 A V E -IJ 86 286D 25 209,-1.4 209,-2.9 9,-0.2 2,-0.4 -1.000 68.9-168.1-137.4 133.2 -10.2 -14.2 -23.8 78 121 A K E -IJ 85 285D 48 7,-2.2 7,-2.6 -2,-0.4 2,-0.7 -0.990 4.7-163.5-123.5 130.3 -9.3 -13.0 -20.3 79 122 A L E +IJ 84 284D 72 205,-3.5 205,-2.7 -2,-0.4 2,-0.4 -0.928 28.8 153.9-114.5 104.7 -10.6 -14.7 -17.2 80 123 A T E > -I 83 0D 36 3,-2.0 3,-2.8 -2,-0.7 203,-0.2 -0.997 61.9 -10.4-142.3 135.9 -10.1 -12.4 -14.3 81 124 A G T 3 S- 0 0 83 201,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.827 127.1 -56.0 42.3 39.5 -11.9 -11.9 -10.9 82 198 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.0 2,-0.3 0.439 115.0 111.4 80.6 -0.8 -14.6 -14.3 -12.1 83 199 A S E < -I 80 0D 62 -3,-2.8 -3,-2.0 2,-0.0 2,-0.5 -0.733 58.4-138.2-106.5 158.2 -15.4 -12.3 -15.3 84 200 A V E -I 79 0D 89 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.961 15.4-170.1-120.3 121.8 -14.9 -13.2 -18.9 85 201 A I E -I 78 0D 68 -7,-2.6 -7,-2.2 -2,-0.5 2,-0.4 -0.944 3.1-168.9-116.1 124.0 -13.6 -10.6 -21.4 86 202 A K E +I 77 0D 171 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.897 21.5 135.0-113.1 140.9 -13.6 -11.3 -25.1 87 203 A Q - 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