==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 10-JUN-11 3SE8 . COMPND 2 MOLECULE: HIV-1 CLADE AE STRAIN 93TH057 GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.D.KWONG,T.ZHOU . 779 6 13 9 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 515 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 270 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 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 . 95 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 4 0 0 0 1 1 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 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 4 13 9 7 5 4 0 1 1 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 7 2 0 2 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 G V 0 0 128 0, 0.0 345,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 138.5 19.1 48.1 -28.0 2 45 G W E -A 345 0A 76 343,-0.2 2,-0.3 344,-0.1 343,-0.2 -0.959 360.0-144.9-159.8 170.2 16.5 45.7 -29.5 3 46 G K E -A 344 0A 99 341,-1.6 341,-2.6 -2,-0.3 0, 0.0 -0.996 35.7 -87.8-146.1 146.9 14.0 43.1 -28.4 4 47 G D E +A 343 0A 108 -2,-0.3 2,-0.3 339,-0.2 339,-0.2 -0.271 62.1 159.0 -48.8 134.9 12.6 39.8 -29.8 5 48 G A - 0 0 22 337,-1.7 2,-0.4 2,-0.0 337,-0.2 -0.991 37.6-131.0-159.0 159.3 9.6 40.7 -32.0 6 49 G D + 0 0 111 -2,-0.3 2,-0.3 335,-0.1 337,-0.0 -0.914 33.7 155.7-112.4 143.3 7.4 39.5 -34.8 7 50 G T - 0 0 32 -2,-0.4 2,-0.7 337,-0.0 335,-0.0 -0.956 50.0 -78.6-154.0 171.5 6.5 41.5 -37.9 8 51 G T - 0 0 112 -2,-0.3 2,-0.1 52,-0.0 49,-0.0 -0.688 48.3-156.9 -79.2 116.1 5.4 41.2 -41.5 9 52 G L - 0 0 13 -2,-0.7 2,-0.3 94,-0.1 94,-0.2 -0.425 1.8-144.8 -82.9 163.6 8.5 40.3 -43.6 10 53 G F E -E 102 0B 73 92,-2.1 92,-2.7 -2,-0.1 2,-0.3 -0.851 14.9-126.2-121.9 166.2 8.7 40.9 -47.3 11 54 G a E -E 101 0B 5 19,-0.5 21,-2.3 -2,-0.3 2,-0.3 -0.854 16.2-164.8-117.2 149.0 10.5 38.7 -49.8 12 55 G A E +Ef 100 32B 4 88,-2.1 88,-2.9 -2,-0.3 2,-0.3 -0.951 18.2 155.4-128.1 150.7 13.2 39.4 -52.4 13 56 G S E - f 0 33B 10 19,-2.1 21,-0.6 -2,-0.3 86,-0.1 -0.983 49.0-120.2-163.9 169.0 14.2 37.3 -55.4 14 57 G D + 0 0 99 84,-0.4 85,-0.1 -2,-0.3 10,-0.1 -0.101 55.0 153.8-107.9 30.9 15.9 37.3 -58.8 15 58 G A - 0 0 23 83,-0.1 2,-0.5 8,-0.1 -2,-0.1 -0.264 44.5-119.1 -59.2 147.5 12.8 35.8 -60.5 16 59 G K > - 0 0 101 1,-0.1 3,-1.5 2,-0.0 12,-0.1 -0.796 5.0-145.4 -98.2 130.2 12.4 36.6 -64.2 17 60 G A T 3 S+ 0 0 91 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.724 101.2 54.0 -62.4 -23.0 9.4 38.6 -65.4 18 61 G H T 3 S+ 0 0 155 2,-0.0 2,-0.3 -3,-0.0 -1,-0.3 0.465 85.3 105.7 -93.2 -2.4 9.5 36.5 -68.7 19 62 G E < - 0 0 73 -3,-1.5 -4,-0.0 1,-0.1 0, 0.0 -0.571 50.1-165.8 -82.2 140.0 9.4 33.1 -67.0 20 63 G T + 0 0 111 -2,-0.3 73,-0.4 4,-0.1 -1,-0.1 0.505 55.0 120.6 -93.3 -9.6 6.3 31.0 -67.1 21 64 G E S > S- 0 0 6 1,-0.1 4,-1.9 71,-0.1 3,-0.5 -0.354 71.7-125.8 -59.8 133.0 7.8 28.8 -64.4 22 65 G V H > S+ 0 0 15 71,-2.6 4,-2.2 1,-0.3 5,-0.2 0.778 103.7 49.8 -62.3 -36.9 5.4 29.0 -61.4 23 66 G H H > S+ 0 0 3 70,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.895 111.6 51.9 -68.5 -37.8 7.8 30.1 -58.6 24 67 G N H > S+ 0 0 14 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.914 109.5 48.9 -59.8 -46.1 9.1 32.9 -60.9 25 68 G V H X S+ 0 0 59 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.913 112.1 48.2 -63.0 -44.7 5.5 34.1 -61.5 26 69 G W H >X S+ 0 0 14 -4,-2.2 4,-2.0 1,-0.2 3,-0.5 0.954 113.1 46.7 -60.8 -50.9 4.6 34.1 -57.9 27 70 G A H 3X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.3 -1,-0.2 0.838 106.1 59.8 -63.4 -33.8 7.8 35.9 -56.8 28 71 G T H 3< S+ 0 0 62 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.887 115.6 34.4 -60.4 -38.2 7.3 38.5 -59.6 29 72 G H H << S+ 0 0 159 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.702 130.0 33.9 -87.3 -22.4 3.9 39.4 -58.0 30 73 G A H < S+ 0 0 50 -4,-2.0 -19,-0.5 -5,-0.2 -3,-0.2 0.708 110.0 55.8-107.4 -23.6 4.9 38.9 -54.4 31 74 G a < - 0 0 20 -4,-3.0 -19,-0.3 -5,-0.2 68,-0.0 -0.517 62.3-132.4-115.5 173.6 8.5 39.9 -54.0 32 75 G V E -f 12 0B 68 -21,-2.3 -19,-2.1 -2,-0.2 -2,-0.0 -0.741 44.9 -75.7-116.3 169.1 11.0 42.8 -54.6 33 76 G P E -f 13 0B 112 0, 0.0 -19,-0.2 0, 0.0 2,-0.1 -0.254 52.0-104.9 -64.9 154.8 14.4 42.8 -56.3 34 77 G T - 0 0 42 -21,-0.6 -23,-0.0 -22,-0.1 -21,-0.0 -0.442 34.2-107.7 -79.1 152.2 17.4 41.4 -54.4 35 78 G D - 0 0 72 1,-0.1 -1,-0.1 -2,-0.1 -23,-0.0 -0.712 19.3-152.5 -85.0 125.6 20.0 43.8 -52.9 36 79 G P S S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.791 91.1 34.9 -66.9 -31.8 23.3 43.8 -54.9 37 80 G N S S- 0 0 125 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.611 81.3-165.2-126.7 71.7 25.4 44.8 -51.8 38 81 G P - 0 0 98 0, 0.0 2,-0.5 0, 0.0 -4,-0.0 -0.293 15.3-134.0 -57.0 135.1 23.9 43.2 -48.7 39 82 G Q + 0 0 142 2,-0.0 91,-0.6 0, 0.0 2,-0.4 -0.815 24.9 178.8 -92.2 127.8 25.1 44.7 -45.4 40 83 G E E -B 129 0A 101 -2,-0.5 2,-0.5 89,-0.1 89,-0.2 -0.979 6.8-167.1-129.6 122.8 26.1 42.2 -42.7 41 84 G I E -B 128 0A 81 87,-2.3 87,-2.9 -2,-0.4 2,-0.3 -0.925 15.0-139.6-112.8 121.5 27.4 43.5 -39.3 42 85 G H E -B 127 0A 107 -2,-0.5 2,-0.7 85,-0.3 85,-0.3 -0.605 21.2-132.4 -73.8 137.1 29.1 41.3 -36.8 43 86 G L E > -B 126 0A 24 83,-3.2 3,-0.8 -2,-0.3 83,-0.5 -0.843 18.1-142.6 -96.8 115.8 28.0 42.2 -33.3 44 87 G E T 3 S- 0 0 152 -2,-0.7 3,-0.1 1,-0.2 81,-0.1 -0.569 78.8 -0.3 -80.2 135.9 30.9 42.5 -30.9 45 88 G N T 3 S+ 0 0 160 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.517 100.8 134.1 69.4 5.1 30.6 41.3 -27.3 46 89 G V < - 0 0 32 -3,-0.8 80,-0.5 80,-0.2 2,-0.4 -0.774 33.8-177.3 -97.2 124.7 27.0 40.3 -28.1 47 90 G T - 0 0 89 -2,-0.5 2,-0.4 -3,-0.1 77,-0.2 -0.951 10.5-173.1-111.5 141.8 25.4 36.9 -27.1 48 91 G E E -H 123 0C 29 75,-2.3 75,-2.7 -2,-0.4 2,-0.3 -0.992 20.3-129.2-137.7 140.3 21.9 36.2 -28.2 49 92 G N E -H 122 0C 106 -2,-0.4 2,-0.3 73,-0.3 71,-0.0 -0.688 27.4-171.1 -88.6 140.1 19.4 33.4 -27.5 50 93 G F E -H 121 0C 10 71,-2.4 71,-1.7 -2,-0.3 2,-0.2 -0.868 17.5-170.9-125.2 160.1 17.7 31.6 -30.4 51 94 G N E > -H 120 0C 63 -2,-0.3 3,-2.1 69,-0.2 69,-0.2 -0.610 3.1-176.1-152.7 91.1 14.9 29.1 -30.7 52 95 G M T 3 S+ 0 0 2 67,-3.0 3,-0.4 1,-0.3 68,-0.1 0.663 86.0 61.5 -59.4 -18.6 14.4 27.7 -34.2 53 96 G W T 3 S+ 0 0 18 1,-0.3 -1,-0.3 66,-0.2 2,-0.2 0.549 108.6 41.2 -89.1 -9.1 11.3 25.8 -32.9 54 97 G K S < S+ 0 0 113 -3,-2.1 2,-0.5 4,-0.0 -1,-0.3 -0.625 81.5 133.4-134.7 73.2 9.5 29.0 -32.0 55 98 G N >> - 0 0 13 -3,-0.4 3,-2.4 -2,-0.2 4,-0.6 -0.917 43.1-159.4-133.9 101.5 10.3 31.2 -35.0 56 99 G N H 3> S+ 0 0 52 -2,-0.5 4,-1.6 1,-0.3 5,-0.2 0.674 88.4 74.4 -58.6 -18.8 7.5 33.2 -36.6 57 100 G M H 3> S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.840 93.2 57.1 -59.2 -31.3 9.5 33.6 -39.8 58 101 G V H <> S+ 0 0 0 -3,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.916 101.9 52.8 -67.0 -44.4 8.7 29.9 -40.3 59 102 G E H X S+ 0 0 52 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.864 110.1 49.2 -56.7 -40.3 4.9 30.6 -40.2 60 103 G Q H X S+ 0 0 32 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.893 109.7 49.5 -72.5 -40.1 5.3 33.3 -42.8 61 104 G M H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.947 110.1 53.2 -60.0 -45.4 7.3 31.1 -45.2 62 105 G Q H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 107.9 49.5 -55.5 -48.4 4.6 28.4 -44.7 63 106 G E H X S+ 0 0 133 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.892 111.8 49.5 -59.5 -42.7 1.8 30.8 -45.7 64 107 G D H X S+ 0 0 43 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.901 111.0 47.4 -63.4 -44.3 3.7 31.9 -48.8 65 108 G V H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.911 112.6 50.1 -68.4 -38.1 4.5 28.4 -50.0 66 109 G I H X S+ 0 0 45 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.933 110.9 50.2 -59.9 -46.3 0.8 27.4 -49.4 67 110 G S H X S+ 0 0 36 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.914 110.9 49.1 -56.3 -45.5 -0.2 30.5 -51.4 68 111 G L H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 5,-0.3 0.946 112.8 46.0 -62.2 -48.8 2.1 29.6 -54.2 69 112 G W H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.835 112.1 51.5 -65.6 -33.9 0.9 26.0 -54.4 70 113 G D H < S+ 0 0 69 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.868 115.5 40.9 -72.7 -36.7 -2.8 27.0 -54.3 71 114 G Q H < S+ 0 0 119 -4,-2.1 3,-0.2 -5,-0.2 -2,-0.2 0.826 128.8 29.6 -73.4 -31.1 -2.4 29.6 -57.1 72 115 G S H < S+ 0 0 23 -4,-2.0 2,-0.2 -5,-0.2 -3,-0.2 0.747 112.3 52.0-111.3 -31.7 -0.1 27.4 -59.2 73 116 G L < + 0 0 10 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.356 64.4 167.0-112.3 53.4 -0.8 23.6 -58.7 74 117 G Q - 0 0 58 -3,-0.2 2,-0.2 -2,-0.2 -4,-0.1 -0.474 28.6-136.8 -62.2 130.4 -4.5 23.4 -59.2 75 118 G P - 0 0 2 0, 0.0 214,-0.2 0, 0.0 12,-0.2 -0.535 17.8-117.4 -87.1 159.5 -5.6 19.8 -59.6 76 119 G b S S+ 0 0 27 212,-2.1 11,-1.9 1,-0.2 2,-0.4 0.872 105.8 19.1 -60.9 -36.3 -8.0 18.5 -62.2 77 120 G V E -IJ 86 288D 30 211,-1.4 211,-2.5 9,-0.2 2,-0.5 -1.000 69.6-159.9-138.6 138.7 -10.2 17.4 -59.3 78 121 G K E -IJ 85 287D 32 7,-2.1 7,-1.2 -2,-0.4 2,-0.6 -0.975 3.3-166.4-120.8 122.6 -10.1 18.6 -55.6 79 122 G L E +IJ 84 286D 57 207,-3.1 207,-2.1 -2,-0.5 2,-0.4 -0.913 19.9 161.1-112.0 107.3 -11.7 16.4 -52.9 80 123 G T E > -I 83 0D 39 3,-1.3 3,-2.6 -2,-0.6 205,-0.1 -0.986 65.8 -25.3-132.6 125.2 -12.2 18.3 -49.6 81 124 G G T 3 S- 0 0 3 -2,-0.4 346,-0.2 1,-0.3 342,-0.2 0.857 126.0 -47.2 41.0 49.3 -14.4 17.4 -46.7 82 198 G G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 342,-0.2 2,-0.2 0.481 114.8 116.8 79.9 3.1 -16.8 15.5 -48.9 83 199 G S E < -I 80 0D 45 -3,-2.6 -3,-1.3 341,-0.1 2,-0.4 -0.671 53.8-139.8-104.4 160.4 -17.0 18.2 -51.6 84 200 G V E -I 79 0D 89 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.940 14.7-177.3-122.3 141.4 -15.9 18.1 -55.2 85 201 G I E -I 78 0D 64 -7,-1.2 -7,-2.1 -2,-0.4 2,-0.4 -0.910 5.7-168.5-141.5 110.6 -14.2 20.8 -57.3 86 202 G K E +I 77 0D 170 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.825 21.3 150.0-103.0 138.0 -13.4 20.3 -61.0 87 203 G Q - 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