==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 11-MAR-13 4JKP . COMPND 2 MOLECULE: GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR R.DISKIN,P.J.BJORKMAN . 769 6 14 10 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 66.7 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 . 260 33.8 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 . 2 0.3 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-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 . 101 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 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 3 0 0 0 0 2 0 0 0 0 0 1 0 1 0 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 . 5 6 14 6 7 8 1 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 1 6 2 0 2 0 0 1 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 44 G V 0 0 133 0, 0.0 341,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -48.5 35.6 42.6 20.6 2 45 G W E -A 341 0A 71 339,-0.2 2,-0.3 105,-0.0 339,-0.2 -0.779 360.0-164.7-127.2 169.9 38.3 40.1 19.7 3 46 G K E -A 340 0A 104 337,-2.3 337,-3.4 -2,-0.3 0, 0.0 -0.991 36.5 -88.6-154.3 147.0 40.8 37.8 21.3 4 47 G D E +A 339 0A 93 -2,-0.3 2,-0.3 335,-0.3 335,-0.2 -0.269 56.0 161.4 -58.9 136.8 43.9 35.9 20.2 5 48 G A - 0 0 14 333,-1.7 2,-0.5 2,-0.0 333,-0.2 -0.988 37.0-128.0-155.7 159.5 43.2 32.4 18.9 6 49 G D + 0 0 104 -2,-0.3 2,-0.2 50,-0.1 333,-0.0 -0.965 37.4 156.1-115.0 123.7 44.5 29.5 16.9 7 50 G T - 0 0 29 -2,-0.5 2,-0.6 97,-0.0 331,-0.0 -0.610 49.0 -83.0-128.7-171.6 42.4 28.0 14.1 8 51 G T - 0 0 107 -2,-0.2 2,-0.1 52,-0.0 49,-0.0 -0.905 46.7-153.8-101.2 115.2 42.8 26.1 10.8 9 52 G L - 0 0 9 -2,-0.6 2,-0.3 94,-0.1 94,-0.2 -0.426 1.1-144.1 -85.5 159.7 43.7 28.4 8.0 10 53 G F E -E 102 0B 90 92,-2.7 92,-3.1 -2,-0.1 2,-0.2 -0.918 16.4-127.1-122.5 155.0 43.0 27.8 4.3 11 54 G a E -E 101 0B 10 19,-0.5 21,-1.8 -2,-0.3 2,-0.3 -0.606 17.5-168.6-104.2 156.9 45.3 28.8 1.4 12 55 G A E +Ef 100 32B 2 88,-2.1 88,-3.3 19,-0.2 2,-0.3 -0.985 15.9 153.9-139.9 152.7 44.7 30.8 -1.8 13 56 G S E - f 0 33B 7 19,-1.9 21,-1.3 -2,-0.3 86,-0.1 -0.946 51.2-104.3-162.0 179.0 46.8 31.3 -4.9 14 57 G D + 0 0 101 84,-0.5 14,-0.1 -2,-0.3 85,-0.1 -0.062 59.2 150.3-105.7 29.0 47.1 32.1 -8.6 15 58 G A - 0 0 20 12,-0.1 2,-0.3 8,-0.1 -2,-0.1 -0.358 31.3-152.1 -63.0 143.5 47.7 28.5 -9.7 16 59 G K > - 0 0 107 1,-0.1 3,-1.0 3,-0.0 12,-0.1 -0.901 19.8-128.5-122.0 149.7 46.5 27.7 -13.2 17 60 G A T 3 S+ 0 0 104 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.762 106.7 58.4 -67.6 -27.1 45.3 24.4 -14.6 18 61 G H T 3 S+ 0 0 152 2,-0.0 2,-0.5 -3,-0.0 -1,-0.3 0.683 87.3 88.7 -79.1 -17.8 47.6 24.6 -17.7 19 62 G E < - 0 0 85 -3,-1.0 -3,-0.0 1,-0.1 0, 0.0 -0.715 53.7-174.6 -84.9 122.8 50.7 24.8 -15.5 20 63 G T + 0 0 115 -2,-0.5 73,-0.1 4,-0.1 -1,-0.1 0.472 39.2 127.4 -99.8 -2.5 52.1 21.4 -14.7 21 64 G E > - 0 0 14 1,-0.1 4,-2.3 4,-0.1 73,-0.2 -0.255 68.2-118.4 -54.3 142.1 54.8 22.5 -12.3 22 65 G b H > S+ 0 0 28 71,-2.4 4,-2.8 1,-0.2 5,-0.2 0.896 108.4 44.8 -60.8 -53.2 54.5 20.6 -9.1 23 66 G H H > S+ 0 0 2 70,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.876 113.0 54.8 -59.3 -36.8 53.9 23.4 -6.5 24 67 G N H > S+ 0 0 11 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.935 108.8 46.4 -60.8 -47.6 51.4 24.8 -8.9 25 68 G V H >X S+ 0 0 44 -4,-2.3 4,-1.8 2,-0.2 3,-0.5 0.947 109.6 54.6 -59.8 -50.3 49.4 21.6 -9.2 26 69 G W H 3X S+ 0 0 15 -4,-2.8 4,-1.5 1,-0.3 3,-0.2 0.898 109.1 49.2 -45.9 -45.6 49.6 21.2 -5.4 27 70 G A H 3X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.794 105.8 55.1 -73.3 -25.9 48.0 24.7 -5.2 28 71 G T H << S+ 0 0 57 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.804 115.2 41.5 -72.8 -25.5 45.3 23.8 -7.7 29 72 G H H < S+ 0 0 144 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.693 126.3 30.5 -90.8 -20.1 44.4 20.8 -5.4 30 73 G A H < S+ 0 0 53 -4,-1.5 -19,-0.5 -5,-0.2 2,-0.2 0.658 109.4 61.4-113.2 -21.0 44.7 22.6 -2.1 31 74 G a < - 0 0 22 -4,-1.9 -19,-0.2 -5,-0.2 3,-0.1 -0.651 61.8-134.1-115.8 163.9 43.8 26.2 -2.6 32 75 G V E -f 12 0B 71 -21,-1.8 -19,-1.9 -2,-0.2 3,-0.1 -0.639 50.9 -80.1 -99.1 165.2 41.0 28.5 -3.6 33 76 G P E -f 13 0B 108 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.318 54.6 -93.4 -63.9 154.0 41.6 31.4 -6.1 34 77 G T - 0 0 34 -21,-1.3 -23,-0.0 1,-0.1 3,-0.0 -0.421 48.8 -97.9 -63.1 139.2 43.1 34.6 -4.8 35 78 G D - 0 0 86 1,-0.1 -1,-0.1 -2,-0.1 -23,-0.0 -0.498 30.7-144.5 -62.5 120.6 40.5 37.1 -3.8 36 79 G P S S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.887 90.5 27.5 -55.6 -47.2 40.3 39.5 -6.8 37 80 G N S S- 0 0 105 2,-0.0 2,-0.2 -3,-0.0 -2,-0.0 -0.760 80.5-161.9-122.9 86.3 39.7 42.6 -4.7 38 81 G P - 0 0 88 0, 0.0 2,-0.6 0, 0.0 -4,-0.0 -0.472 7.0-150.1 -68.8 128.1 41.2 42.3 -1.2 39 82 G Q - 0 0 135 -2,-0.2 2,-0.7 2,-0.0 91,-0.3 -0.895 9.9-169.5-104.6 119.9 39.9 44.8 1.3 40 83 G E - 0 0 91 -2,-0.6 2,-0.5 89,-0.1 89,-0.2 -0.890 8.6-161.6-108.5 104.4 42.2 45.9 4.1 41 84 G I E -B 128 0A 102 87,-1.4 87,-3.7 -2,-0.7 2,-0.2 -0.736 13.4-134.0 -91.5 127.2 40.3 47.8 6.8 42 85 G H E -B 127 0A 104 -2,-0.5 2,-0.5 85,-0.3 85,-0.2 -0.499 10.0-136.6 -78.4 144.3 42.4 50.0 9.2 43 86 G L > - 0 0 23 83,-2.3 3,-0.6 -2,-0.2 2,-0.3 -0.904 18.8-145.5-104.8 125.4 41.8 49.9 12.9 44 87 G E T 3 S+ 0 0 161 -2,-0.5 3,-0.1 1,-0.2 81,-0.1 -0.710 73.6 0.6 -99.3 139.5 41.8 53.3 14.6 45 88 G N T 3 S+ 0 0 168 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.826 98.1 135.4 55.9 36.1 43.1 54.0 18.1 46 89 G V < - 0 0 31 -3,-0.6 80,-0.7 78,-0.3 2,-0.4 -0.956 33.7-177.2-119.3 130.0 44.0 50.4 18.5 47 90 G T + 0 0 84 -2,-0.5 2,-0.3 78,-0.1 77,-0.2 -0.995 11.2 176.7-123.3 129.8 47.3 49.0 19.8 48 91 G E E -H 123 0C 30 75,-2.1 75,-2.7 -2,-0.4 2,-0.5 -0.961 27.6-119.0-133.4 149.6 47.9 45.2 19.8 49 92 G N E -H 122 0C 101 -2,-0.3 2,-0.2 73,-0.3 71,-0.0 -0.770 27.3-168.7 -92.6 126.3 50.8 42.9 20.8 50 93 G F E -H 121 0C 5 71,-2.5 71,-1.5 -2,-0.5 2,-0.1 -0.685 9.8-173.0-105.3 163.4 52.4 40.7 18.2 51 94 G N E > -H 120 0C 70 -2,-0.2 3,-2.4 285,-0.2 69,-0.2 -0.579 7.5-173.5-158.9 88.9 54.9 37.8 18.7 52 95 G M T 3 S+ 0 0 1 67,-2.4 3,-0.3 1,-0.3 68,-0.1 0.706 88.5 58.7 -59.5 -20.8 56.4 36.3 15.6 53 96 G W T 3 S+ 0 0 11 1,-0.3 -1,-0.3 66,-0.2 2,-0.2 0.493 108.4 46.3 -90.2 -4.8 58.1 33.6 17.8 54 97 G K S < S+ 0 0 90 -3,-2.4 2,-0.4 395,-0.0 -1,-0.3 -0.679 81.1 126.5-132.4 76.7 54.7 32.5 19.1 55 98 G N >> - 0 0 18 -3,-0.3 3,-1.7 -2,-0.2 4,-0.6 -0.916 46.3-158.1-144.5 109.0 52.5 32.3 16.0 56 99 G N H 3> S+ 0 0 36 -2,-0.4 4,-2.4 1,-0.3 3,-0.4 0.725 88.8 76.3 -61.3 -24.2 50.6 29.1 15.0 57 100 G M H 3> S+ 0 0 3 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.859 92.0 55.9 -51.8 -38.3 50.5 30.3 11.4 58 101 G V H <> S+ 0 0 0 -3,-1.7 4,-2.2 2,-0.2 -1,-0.3 0.884 105.3 50.5 -61.7 -42.4 54.1 29.2 11.2 59 102 G E H X S+ 0 0 27 -4,-0.6 4,-2.4 -3,-0.4 -2,-0.2 0.939 111.2 47.7 -64.8 -45.7 53.1 25.7 12.4 60 103 G Q H X S+ 0 0 28 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.946 111.2 50.0 -62.0 -47.2 50.4 25.4 9.7 61 104 G M H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.897 108.8 54.8 -57.1 -39.6 52.7 26.6 7.0 62 105 G Q H X S+ 0 0 16 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.922 108.9 46.0 -59.6 -46.3 55.2 24.1 8.2 63 106 G E H X S+ 0 0 129 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.924 113.1 50.8 -64.7 -41.6 52.7 21.2 7.8 64 107 G D H X S+ 0 0 38 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.959 111.9 45.6 -56.2 -55.9 51.6 22.5 4.4 65 108 G V H X S+ 0 0 4 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.840 109.9 55.2 -61.0 -34.1 55.2 22.7 3.1 66 109 G I H X S+ 0 0 31 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.940 110.7 45.8 -62.4 -43.5 56.0 19.3 4.5 67 110 G S H X S+ 0 0 52 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.942 111.2 52.5 -61.0 -49.1 53.0 17.9 2.6 68 111 G L H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.3 3,-0.4 0.939 112.7 43.4 -52.6 -55.1 54.1 19.8 -0.6 69 112 G W H X S+ 0 0 6 -4,-2.8 4,-1.0 1,-0.2 -1,-0.3 0.805 108.8 61.1 -60.7 -29.4 57.6 18.4 -0.4 70 113 G D H < S+ 0 0 94 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.888 115.3 31.3 -67.8 -36.6 56.1 15.0 0.4 71 114 G Q H < S+ 0 0 81 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.608 132.6 31.2 -96.5 -11.5 54.2 14.9 -2.9 72 115 G b H < S+ 0 0 5 -4,-1.6 2,-1.1 -5,-0.2 -3,-0.2 0.813 115.2 47.5-112.8 -51.2 56.7 16.9 -5.0 73 116 G L S < S+ 0 0 2 -4,-1.0 -1,-0.1 -5,-0.3 -4,-0.1 -0.489 73.2 170.8 -94.4 62.7 60.2 16.3 -3.8 74 117 G Q - 0 0 74 -2,-1.1 -4,-0.1 -3,-0.2 -3,-0.1 -0.664 23.4-143.3 -78.9 114.1 60.0 12.5 -3.6 75 118 G P - 0 0 9 0, 0.0 210,-0.2 0, 0.0 3,-0.1 -0.329 14.7-122.3 -75.3 158.6 63.4 11.0 -2.9 76 119 G c S S+ 0 0 16 208,-2.6 11,-2.5 1,-0.2 2,-0.3 0.938 93.0 7.3 -69.6 -49.4 64.6 7.7 -4.5 77 120 G V E -IJ 86 284D 23 207,-0.9 207,-1.9 9,-0.2 2,-0.5 -0.976 64.1-152.2-131.7 151.1 65.3 6.1 -1.1 78 121 G K E -IJ 85 283D 55 7,-2.3 2,-1.4 -2,-0.3 7,-1.2 -0.927 8.9-151.6-123.0 117.6 64.7 7.1 2.5 79 122 G L E +IJ 84 282D 65 203,-2.1 203,-0.7 -2,-0.5 2,-0.5 -0.567 23.7 172.5 -97.5 92.8 67.0 5.8 5.2 80 123 G T - 0 0 53 -2,-1.4 2,-0.8 3,-0.9 3,-0.2 -0.832 49.1 -74.5 -99.4 124.1 65.0 5.6 8.4 81 124 G G S S- 0 0 63 -2,-0.5 -2,-0.1 1,-0.3 200,-0.0 -0.602 119.7 -4.6 72.6-104.3 66.5 3.9 11.6 82 198 G G S S+ 0 0 75 -2,-0.8 -1,-0.3 0, 0.0 336,-0.0 0.520 122.2 61.3 115.1-141.7 66.2 1.1 10.8 83 199 G S - 0 0 64 -3,-0.2 -3,-0.9 1,-0.1 2,-0.3 -0.105 55.4-144.8 -69.8 167.1 64.5 0.4 7.5 84 200 G V E -I 79 0D 75 -5,-0.2 2,-0.6 -3,-0.0 -5,-0.2 -0.712 19.6-163.9-133.6 77.7 65.5 1.6 4.0 85 201 G I E -I 78 0D 91 -7,-1.2 -7,-2.3 -2,-0.3 2,-0.2 -0.556 5.5-159.6 -73.7 116.5 62.3 2.3 2.1 86 202 G K E +I 77 0D 155 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.590 20.0 154.7 -92.1 155.5 62.9 2.6 -1.7 87 203 G Q - 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