==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 25-FEB-13 4JDT . COMPND 2 MOLECULE: GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR L.SCHARF,R.DISKIN,P.J.BJORKMAN . 751 8 12 8 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 260 34.6 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 . 3 0.4 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-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 . 89 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 7.5 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 2 0 1 0 1 1 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 . 5 5 15 5 7 10 0 1 1 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 1 6 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 0 166 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.0 20.9 19.9 -27.1 2 45 G W - 0 0 88 336,-0.2 2,-0.3 105,-0.0 336,-0.2 -0.926 360.0-152.5-140.7 168.5 18.5 17.4 -28.6 3 46 G K E -A 337 0A 139 334,-1.6 334,-3.0 -2,-0.3 2,-0.1 -0.985 32.4 -93.3-142.3 153.1 16.0 14.8 -27.3 4 47 G D E +A 336 0A 81 -2,-0.3 2,-0.3 332,-0.2 332,-0.2 -0.420 58.9 157.5 -64.2 143.9 14.6 11.5 -28.5 5 48 G A - 0 0 22 330,-1.4 2,-0.3 -2,-0.1 330,-0.2 -0.989 38.0-127.3-163.7 152.9 11.3 12.2 -30.4 6 49 G D + 0 0 108 -2,-0.3 2,-0.3 328,-0.1 328,-0.0 -0.745 37.1 151.0-100.7 160.9 8.9 10.8 -33.0 7 50 G T - 0 0 32 -2,-0.3 2,-0.7 330,-0.0 328,-0.0 -0.967 48.7 -71.7-170.2 178.1 7.7 12.8 -36.0 8 51 G T - 0 0 103 -2,-0.3 2,-0.2 52,-0.0 -2,-0.0 -0.811 47.7-164.6 -92.4 115.3 6.4 12.7 -39.6 9 52 G L - 0 0 14 -2,-0.7 2,-0.3 94,-0.1 94,-0.2 -0.563 7.2-141.6 -93.5 158.7 9.1 11.8 -42.1 10 53 G F E -E 102 0B 87 92,-2.2 92,-2.8 -2,-0.2 2,-0.2 -0.897 15.4-124.0-118.4 155.3 9.1 12.2 -45.9 11 54 G a E -E 101 0B 10 19,-0.3 21,-1.8 -2,-0.3 2,-0.3 -0.603 18.1-165.4 -98.7 153.1 10.5 9.8 -48.5 12 55 G A E +Ef 100 32B 2 88,-2.6 88,-3.2 19,-0.2 2,-0.3 -0.997 17.0 153.1-135.9 141.8 13.0 10.5 -51.3 13 56 G S E - f 0 33B 7 19,-2.6 21,-1.6 -2,-0.3 86,-0.1 -0.898 50.9-111.7-152.8-177.8 13.9 8.5 -54.5 14 57 G D + 0 0 103 84,-0.4 2,-0.1 -2,-0.3 85,-0.1 -0.083 59.4 149.9-112.2 29.5 15.3 8.4 -58.1 15 58 G A - 0 0 19 17,-0.2 2,-0.4 8,-0.1 -2,-0.1 -0.357 36.9-141.2 -64.4 137.2 11.9 7.5 -59.5 16 59 G K - 0 0 112 1,-0.1 3,-0.5 -2,-0.1 12,-0.1 -0.853 12.3-135.7-110.6 140.2 11.3 8.7 -63.0 17 60 G A S S+ 0 0 94 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.844 106.9 54.4 -54.2 -35.5 8.0 10.1 -64.4 18 61 G H S S+ 0 0 146 2,-0.0 2,-0.3 -3,-0.0 -1,-0.2 0.851 89.1 90.8 -73.7 -27.3 8.5 8.1 -67.6 19 62 G E - 0 0 74 -3,-0.5 -4,-0.0 1,-0.1 0, 0.0 -0.481 54.1-174.2 -75.4 132.0 8.9 4.9 -65.7 20 63 G T + 0 0 109 -2,-0.3 73,-0.2 4,-0.1 -1,-0.1 0.336 38.9 126.0-111.5 1.6 5.6 3.1 -65.2 21 64 G E S > S- 0 0 24 1,-0.1 4,-1.9 71,-0.1 73,-0.2 -0.411 72.5-114.1 -57.1 143.4 6.7 0.3 -63.0 22 65 G b H > S+ 0 0 21 71,-2.2 4,-2.6 1,-0.2 5,-0.2 0.842 108.8 44.8 -62.4 -45.0 4.4 0.5 -60.0 23 66 G H H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.937 112.1 53.6 -62.2 -47.8 6.8 1.4 -57.2 24 67 G N H > S+ 0 0 14 71,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 110.6 46.6 -51.8 -41.9 8.5 4.0 -59.3 25 68 G V H X S+ 0 0 50 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.957 110.3 52.9 -71.3 -44.7 5.2 5.7 -60.0 26 69 G W H X S+ 0 0 31 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.871 109.8 50.0 -54.2 -39.9 4.2 5.6 -56.4 27 70 G A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.886 103.4 56.9 -68.8 -43.9 7.5 7.3 -55.5 28 71 G T H < S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.845 118.4 37.0 -57.3 -25.2 7.0 10.1 -58.1 29 72 G H H < S+ 0 0 148 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.898 127.6 30.5 -90.0 -45.3 3.8 10.8 -56.3 30 73 G A H < S+ 0 0 55 -4,-2.9 -19,-0.3 -5,-0.2 -3,-0.2 0.835 117.0 51.9 -84.0 -38.7 4.6 10.2 -52.6 31 74 G a < - 0 0 17 -4,-2.5 -19,-0.2 -5,-0.3 3,-0.0 -0.326 65.2-131.5-104.2 177.5 8.3 11.1 -52.6 32 75 G V E -f 12 0B 70 -21,-1.8 -19,-2.6 -2,-0.1 -17,-0.2 -0.774 46.7 -72.0-116.6 166.0 10.8 13.8 -53.6 33 76 G P E -f 13 0B 108 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.321 55.8-103.7 -59.0 140.5 14.1 13.6 -55.5 34 77 G T - 0 0 32 -21,-1.6 -21,-0.1 1,-0.1 -23,-0.0 -0.311 51.5 -84.2 -58.8 146.8 17.0 12.1 -53.6 35 78 G D - 0 0 65 1,-0.2 -1,-0.1 -3,-0.1 -23,-0.0 -0.361 33.2-149.8 -56.9 122.9 19.5 14.6 -52.2 36 79 G P S S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.893 92.7 22.9 -62.3 -35.8 21.9 15.4 -55.1 37 80 G N S S- 0 0 132 2,-0.0 -2,-0.0 -3,-0.0 0, 0.0 -0.796 82.6-158.7-135.6 91.6 24.7 16.0 -52.5 38 81 G P - 0 0 89 0, 0.0 2,-0.4 0, 0.0 91,-0.0 -0.260 6.1-149.1 -63.3 150.4 24.1 14.3 -49.0 39 82 G Q - 0 0 146 2,-0.0 2,-0.6 89,-0.0 91,-0.3 -0.950 12.2-174.1-129.6 112.1 25.9 15.7 -46.0 40 83 G E - 0 0 95 -2,-0.4 2,-0.6 89,-0.1 89,-0.2 -0.888 4.8-166.7-108.0 108.3 27.0 13.5 -43.0 41 84 G I E -B 128 0A 97 87,-1.8 87,-2.9 -2,-0.6 2,-0.5 -0.810 2.4-171.1 -95.0 118.4 28.5 15.1 -39.9 42 85 G H E -B 127 0A 74 -2,-0.6 2,-0.4 85,-0.3 85,-0.2 -0.928 6.2-167.8-104.1 130.6 30.3 12.9 -37.3 43 86 G L - 0 0 112 83,-1.2 3,-0.5 -2,-0.5 83,-0.4 -0.974 12.3-141.1-124.7 129.3 31.3 14.4 -34.0 44 87 G E S S+ 0 0 157 -2,-0.4 3,-0.1 1,-0.2 81,-0.0 -0.109 80.9 50.4 -68.6 175.2 33.6 13.0 -31.3 45 88 G N S S+ 0 0 166 1,-0.2 2,-0.3 79,-0.0 -1,-0.2 0.592 88.9 105.5 68.9 13.4 32.8 13.5 -27.6 46 89 G V - 0 0 46 -3,-0.5 2,-0.3 78,-0.3 80,-0.3 -0.954 44.6-171.1-130.1 149.4 29.2 12.2 -27.9 47 90 G T - 0 0 86 -2,-0.3 2,-0.3 78,-0.1 77,-0.2 -0.987 7.9-177.9-135.3 138.8 27.3 9.1 -26.9 48 91 G E E -H 123 0C 20 75,-1.9 75,-2.6 -2,-0.3 2,-0.4 -0.999 23.2-125.9-140.2 145.4 23.8 8.0 -27.7 49 92 G N E -H 122 0C 110 -2,-0.3 2,-0.4 73,-0.2 -2,-0.0 -0.749 26.5-168.2 -90.7 132.5 21.5 5.1 -26.9 50 93 G F E -H 121 0C 9 71,-2.8 71,-2.4 -2,-0.4 2,-0.3 -0.925 15.0-179.1-116.1 145.5 19.9 3.1 -29.7 51 94 G N E > -H 120 0C 61 -2,-0.4 3,-2.0 69,-0.2 69,-0.2 -0.747 3.8-178.0-138.5 95.8 17.1 0.6 -29.7 52 95 G M G > S+ 0 0 1 67,-2.3 3,-0.7 1,-0.3 68,-0.1 0.720 84.6 63.1 -64.5 -21.2 16.2 -0.9 -33.2 53 96 G W G 3 S+ 0 0 21 1,-0.3 -1,-0.3 66,-0.3 67,-0.1 0.649 110.8 39.5 -79.8 -10.7 13.5 -3.0 -31.7 54 97 G K G < S+ 0 0 153 -3,-2.0 2,-0.5 4,-0.0 -1,-0.3 -0.484 80.7 132.8-135.7 64.8 11.7 0.2 -30.6 55 98 G N X> - 0 0 15 -3,-0.7 3,-2.2 1,-0.1 4,-0.5 -0.945 44.2-154.9-117.8 108.1 12.3 2.5 -33.6 56 99 G N H 3> S+ 0 0 56 -2,-0.5 4,-2.2 1,-0.3 3,-0.4 0.696 89.6 74.9 -53.7 -23.2 9.1 4.4 -34.8 57 100 G M H 3> S+ 0 0 4 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.858 89.7 59.4 -60.8 -30.4 10.6 4.7 -38.2 58 101 G V H <> S+ 0 0 0 -3,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.897 103.8 49.8 -63.2 -39.6 9.8 1.0 -38.6 59 102 G E H X S+ 0 0 59 -4,-0.5 4,-2.1 -3,-0.4 -2,-0.2 0.929 111.8 48.3 -66.8 -41.9 6.2 1.8 -38.1 60 103 G Q H X S+ 0 0 30 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.928 111.8 46.7 -67.0 -44.3 6.2 4.6 -40.6 61 104 G M H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.924 109.7 57.5 -61.3 -41.5 7.9 2.6 -43.3 62 105 G Q H X S+ 0 0 23 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.910 105.0 49.9 -52.5 -49.6 5.5 -0.1 -42.5 63 106 G E H X S+ 0 0 123 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.848 111.2 50.7 -61.8 -32.3 2.5 2.3 -43.3 64 107 G D H X S+ 0 0 33 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.973 108.3 48.0 -71.0 -50.1 4.1 3.2 -46.6 65 108 G V H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.865 112.0 52.0 -59.6 -31.8 4.7 -0.2 -47.8 66 109 G I H X S+ 0 0 52 -4,-2.0 4,-0.9 -5,-0.3 -1,-0.2 0.929 110.8 48.3 -68.8 -34.6 1.1 -1.0 -46.8 67 110 G S H >X S+ 0 0 55 -4,-2.0 4,-0.7 1,-0.2 3,-0.5 0.916 110.6 51.2 -67.9 -43.3 0.0 2.0 -48.8 68 111 G L H >X S+ 0 0 6 -4,-2.9 4,-0.9 1,-0.3 3,-0.7 0.898 110.2 48.4 -62.1 -42.5 2.1 0.9 -51.8 69 112 G W H 3X S+ 0 0 13 -4,-2.4 4,-1.0 1,-0.2 -1,-0.3 0.686 102.8 64.7 -75.8 -14.7 0.6 -2.5 -51.8 70 113 G D H << S+ 0 0 71 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.749 113.4 27.9 -81.1 -21.0 -2.9 -1.1 -51.6 71 114 G Q H << S+ 0 0 153 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.431 128.2 40.6-116.7 -3.0 -2.8 0.7 -55.0 72 115 G b H < S+ 0 0 16 -4,-0.9 -3,-0.2 -5,-0.2 -2,-0.1 0.686 119.0 37.9-116.8 -30.6 -0.3 -1.6 -56.9 73 116 G L S < S+ 0 0 0 -4,-1.0 -4,-0.1 -5,-0.3 -2,-0.1 -0.209 75.6 162.4-116.4 36.3 -1.2 -5.1 -55.9 74 117 G Q - 0 0 50 1,-0.1 2,-0.1 2,-0.0 -4,-0.1 -0.449 33.8-135.9 -56.4 122.5 -4.8 -4.5 -55.8 75 118 G P - 0 0 3 0, 0.0 207,-0.2 0, 0.0 3,-0.1 -0.375 12.0-119.0 -83.4 163.6 -6.2 -8.1 -56.0 76 119 G c S S+ 0 0 12 205,-1.5 11,-2.2 1,-0.2 2,-0.3 0.876 97.7 7.0 -69.4 -40.6 -9.1 -9.5 -58.1 77 120 G V E -IJ 86 281D 17 204,-1.9 204,-2.6 9,-0.2 2,-0.5 -1.000 65.6-151.5-142.9 148.5 -11.1 -10.5 -55.0 78 121 G K E -IJ 85 280D 43 7,-2.3 7,-1.8 -2,-0.3 2,-0.7 -0.968 2.8-167.5-119.9 126.8 -10.7 -9.9 -51.3 79 122 G L E +IJ 84 279D 59 200,-2.7 200,-1.6 -2,-0.5 5,-0.2 -0.867 15.0 168.0-109.1 97.3 -12.0 -12.3 -48.6 80 123 G T - 0 0 65 3,-1.9 2,-1.9 -2,-0.7 4,-0.1 0.139 51.9-118.3 -95.8 20.4 -11.8 -10.3 -45.4 81 124 G G S S+ 0 0 77 2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.130 112.4 58.6 72.6 -42.6 -13.9 -12.8 -43.5 82 198 G G S S+ 0 0 78 -2,-1.9 2,-0.3 1,-0.2 -1,-0.2 0.704 122.3 4.1 -85.4 -24.2 -16.5 -10.2 -42.8 83 199 G S - 0 0 65 2,-0.0 -3,-1.9 -5,-0.0 -2,-0.4 -0.956 58.7-138.3-152.8 166.9 -17.0 -9.5 -46.6 84 200 G V E -I 79 0D 96 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.868 26.6-171.9-134.1 102.6 -16.0 -10.6 -50.1 85 201 G I E -I 78 0D 91 -7,-1.8 -7,-2.3 -2,-0.4 2,-0.3 -0.797 12.7-150.9-105.8 135.6 -15.3 -7.8 -52.5 86 202 G K E +I 77 0D 153 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.686 29.4 155.2 -94.7 150.6 -14.6 -8.1 -56.3 87 203 G Q - 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