==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 19-FEB-13 4JB9 . COMPND 2 MOLECULE: CLADE A/E 93TH057 HIV-1 GP120 CORE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.D.KWON,T.ZHOU,S.SRIVATSAN,P.D.KWONG . 778 6 12 8 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 487 62.6 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 . 248 31.9 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 . 96 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 2 0 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 . 9 6 10 9 5 4 4 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 . 2 2 5 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 0 155 0, 0.0 345,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 135.3 23.1 14.8 -31.7 2 45 G W E -A 345 0A 82 343,-0.2 2,-0.3 344,-0.1 343,-0.2 -0.872 360.0-139.2-142.6 176.4 20.3 12.6 -33.0 3 46 G K E -A 344 0A 111 341,-2.2 341,-4.1 -2,-0.3 2,-0.4 -0.997 28.5-108.9-144.6 133.6 17.4 10.4 -31.8 4 47 G D E +A 343 0A 89 -2,-0.3 2,-0.3 339,-0.3 339,-0.2 -0.480 58.6 154.1 -62.5 117.1 16.1 7.0 -32.9 5 48 G A - 0 0 18 337,-1.5 2,-0.4 -2,-0.4 337,-0.2 -0.876 40.0-126.4-142.3 171.6 12.7 7.8 -34.6 6 49 G D + 0 0 109 -2,-0.3 2,-0.3 50,-0.1 337,-0.0 -0.988 32.1 157.9-126.6 133.8 10.2 6.7 -37.2 7 50 G T - 0 0 32 -2,-0.4 2,-0.6 97,-0.0 335,-0.0 -0.929 49.6 -80.3-145.1 167.9 8.9 8.7 -40.1 8 51 G T - 0 0 112 -2,-0.3 2,-0.1 95,-0.0 49,-0.0 -0.627 49.7-157.3 -74.3 114.2 7.2 8.2 -43.5 9 52 G L - 0 0 14 -2,-0.6 2,-0.4 94,-0.1 94,-0.2 -0.377 4.6-136.4 -84.0 167.9 10.0 7.4 -46.0 10 53 G F E -E 102 0B 85 92,-1.9 92,-2.4 -2,-0.1 2,-0.2 -0.965 15.7-124.9-126.4 148.6 9.8 7.9 -49.7 11 54 G a E -E 101 0B 9 19,-0.4 21,-1.9 -2,-0.4 2,-0.3 -0.598 20.4-168.6 -93.8 149.8 10.9 5.5 -52.4 12 55 G A E +Ef 100 32B 4 88,-2.7 88,-3.4 19,-0.2 2,-0.3 -0.996 16.0 150.4-136.5 143.2 13.4 6.1 -55.3 13 56 G S E -Ef 99 33B 4 19,-2.1 21,-1.6 -2,-0.3 86,-0.1 -0.873 51.8-111.0-153.9-175.9 14.2 4.1 -58.4 14 57 G D + 0 0 94 84,-0.5 85,-0.1 -2,-0.3 10,-0.1 0.026 57.0 155.4-114.8 24.1 15.4 4.1 -62.0 15 58 G A - 0 0 25 17,-0.2 2,-0.4 83,-0.2 -2,-0.1 -0.145 37.3-131.1 -52.9 144.9 12.0 3.0 -63.4 16 59 G K > - 0 0 103 1,-0.1 3,-1.3 0, 0.0 12,-0.1 -0.866 3.1-141.0-110.4 134.8 11.3 4.0 -67.0 17 60 G A T 3 S+ 0 0 92 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.772 101.7 54.6 -63.5 -29.4 8.0 5.7 -68.2 18 61 G H T 3 S+ 0 0 149 2,-0.0 -1,-0.3 6,-0.0 2,-0.2 0.601 84.7 108.8 -81.1 -12.1 7.9 3.7 -71.4 19 62 G E < - 0 0 78 -3,-1.3 -4,-0.0 1,-0.1 0, 0.0 -0.480 50.8-166.1 -73.1 131.4 8.1 0.3 -69.6 20 63 G T + 0 0 108 -2,-0.2 73,-0.4 4,-0.1 -1,-0.1 0.527 53.6 121.1 -89.2 -8.2 4.9 -1.8 -69.5 21 64 G E S > S- 0 0 9 1,-0.1 4,-2.2 71,-0.1 73,-0.2 -0.265 72.1-120.7 -64.1 143.7 6.5 -3.9 -66.8 22 65 G V H > S+ 0 0 12 71,-2.7 4,-1.8 1,-0.2 5,-0.1 0.823 107.1 43.4 -53.6 -47.1 4.7 -4.1 -63.4 23 66 G H H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.874 112.5 52.7 -74.6 -38.8 7.4 -2.7 -61.1 24 67 G N H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.917 108.8 50.6 -59.3 -45.1 8.3 0.1 -63.4 25 68 G V H X S+ 0 0 48 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.918 114.1 43.8 -63.0 -44.0 4.7 1.3 -63.7 26 69 G W H X S+ 0 0 16 -4,-1.8 4,-2.3 1,-0.2 3,-0.3 0.950 114.7 48.7 -64.3 -48.0 4.3 1.3 -59.9 27 70 G A H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.757 104.4 62.3 -66.0 -25.7 7.6 3.0 -59.3 28 71 G T H < S+ 0 0 56 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.952 116.3 28.1 -61.3 -50.2 6.8 5.6 -61.9 29 72 G H H < S+ 0 0 152 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.723 129.8 40.6 -85.8 -23.6 3.8 6.9 -60.0 30 73 G A H < S+ 0 0 51 -4,-2.3 -19,-0.4 -5,-0.2 -3,-0.2 0.714 110.2 50.8-100.6 -23.1 5.0 6.0 -56.5 31 74 G a < - 0 0 20 -4,-1.9 -19,-0.2 -5,-0.3 3,-0.0 -0.605 66.9-127.2-115.4 169.9 8.7 6.9 -56.6 32 75 G V E -f 12 0B 68 -21,-1.9 -19,-2.1 -2,-0.2 -17,-0.2 -0.773 46.4 -86.2-105.3 159.8 11.1 9.7 -57.5 33 76 G P E -f 13 0B 114 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.325 54.6 -90.6 -64.3 151.5 14.1 9.3 -59.8 34 77 G T - 0 0 38 -21,-1.6 -21,-0.0 1,-0.1 -3,-0.0 -0.339 43.2-108.5 -61.4 136.5 17.4 8.0 -58.2 35 78 G D - 0 0 80 1,-0.1 -1,-0.1 -3,-0.1 96,-0.0 -0.557 21.3-145.4 -69.4 128.5 19.7 10.8 -57.0 36 79 G P S S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.641 89.4 40.5 -71.8 -17.7 22.7 10.9 -59.4 37 80 G N S S- 0 0 129 2,-0.0 2,-0.2 0, 0.0 -2,-0.0 -0.619 73.3-172.9-136.3 78.1 25.2 11.8 -56.6 38 81 G P - 0 0 108 0, 0.0 2,-0.4 0, 0.0 91,-0.0 -0.479 11.3-153.3 -72.7 135.7 24.7 9.9 -53.4 39 82 G Q - 0 0 94 -2,-0.2 91,-0.5 2,-0.0 2,-0.4 -0.876 9.3-165.1-115.0 144.3 26.8 11.1 -50.4 40 83 G E - 0 0 87 -2,-0.4 2,-0.7 89,-0.1 89,-0.2 -0.986 5.5-158.2-130.5 122.8 28.0 9.1 -47.4 41 84 G I E -B 128 0A 96 87,-2.4 87,-2.4 -2,-0.4 2,-0.5 -0.872 13.6-142.5-105.8 109.0 29.4 10.7 -44.3 42 85 G H E -B 127 0A 92 -2,-0.7 2,-0.7 85,-0.2 85,-0.3 -0.566 13.7-144.7 -72.2 117.4 31.5 8.5 -42.1 43 86 G L E > -B 126 0A 31 83,-2.2 83,-0.7 -2,-0.5 3,-0.6 -0.748 15.7-156.7 -87.5 114.2 30.9 9.2 -38.4 44 87 G E T 3 S+ 0 0 138 -2,-0.7 3,-0.1 1,-0.2 81,-0.1 -0.603 71.5 14.2 -92.1 153.0 34.1 8.9 -36.4 45 88 G N T 3 S+ 0 0 175 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.639 101.4 122.2 60.2 17.3 34.3 8.2 -32.6 46 89 G V < - 0 0 39 -3,-0.6 80,-0.5 78,-0.2 2,-0.3 -0.936 38.5-179.2-120.4 121.0 30.6 7.3 -32.9 47 90 G T - 0 0 101 -2,-0.5 2,-0.3 78,-0.1 77,-0.1 -0.731 7.3-178.7-107.2 164.5 28.9 4.0 -31.9 48 91 G E E -H 123 0C 27 75,-0.7 75,-1.9 -2,-0.3 2,-0.5 -0.985 25.0-118.5-160.7 150.2 25.2 3.2 -32.2 49 92 G N E -H 122 0C 108 -2,-0.3 2,-0.3 73,-0.2 72,-0.1 -0.856 29.1-169.8-102.3 131.0 22.8 0.3 -31.4 50 93 G F - 0 0 6 71,-1.0 2,-0.2 -2,-0.5 291,-0.1 -0.751 13.6-175.4-114.4 160.9 20.9 -1.4 -34.2 51 94 G N > - 0 0 35 -2,-0.3 3,-1.1 289,-0.2 69,-0.2 -0.661 7.9-174.5-158.1 98.4 18.0 -3.9 -34.3 52 95 G M T 3 S+ 0 0 1 67,-1.4 3,-0.4 1,-0.2 68,-0.1 0.580 86.6 63.4 -69.3 -10.9 16.8 -5.3 -37.6 53 96 G W T 3 S+ 0 0 18 1,-0.3 2,-0.4 66,-0.2 -1,-0.2 0.700 107.0 41.8 -89.4 -22.3 14.0 -7.1 -35.8 54 97 G K S < S+ 0 0 106 -3,-1.1 2,-0.4 4,-0.0 -1,-0.3 -0.730 83.4 134.5-119.7 79.2 12.4 -3.8 -34.6 55 98 G N >> - 0 0 10 -2,-0.4 3,-1.2 -3,-0.4 4,-0.8 -0.959 42.8-162.1-133.6 113.9 12.7 -1.7 -37.8 56 99 G N H 3> S+ 0 0 40 -2,-0.4 4,-1.1 1,-0.3 5,-0.1 0.705 90.0 72.9 -68.7 -19.1 9.9 0.4 -39.1 57 100 G M H 3> S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.872 95.6 53.4 -56.2 -38.3 11.7 0.6 -42.4 58 101 G V H <> S+ 0 0 0 -3,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.907 105.3 51.0 -65.1 -45.3 10.7 -3.1 -42.8 59 102 G E H X S+ 0 0 96 -4,-0.8 4,-1.0 1,-0.2 -1,-0.2 0.699 110.0 51.2 -69.9 -20.2 6.9 -2.5 -42.2 60 103 G Q H X S+ 0 0 26 -4,-1.1 4,-1.5 -3,-0.2 -1,-0.2 0.902 108.7 48.4 -81.4 -45.6 6.9 0.3 -44.8 61 104 G M H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.874 111.0 53.2 -59.9 -38.0 8.5 -1.7 -47.6 62 105 G Q H X S+ 0 0 26 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.883 106.3 52.3 -63.0 -40.3 6.0 -4.5 -46.8 63 106 G E H X S+ 0 0 130 -4,-1.0 4,-1.2 1,-0.2 -1,-0.2 0.799 112.3 46.5 -67.9 -28.5 3.2 -2.0 -47.1 64 107 G D H X S+ 0 0 43 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.921 108.4 51.6 -80.0 -48.1 4.5 -1.0 -50.6 65 108 G V H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.824 109.2 53.5 -61.1 -31.2 5.1 -4.4 -52.0 66 109 G I H X S+ 0 0 49 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.944 109.9 47.7 -63.1 -46.8 1.5 -5.3 -51.0 67 110 G S H X S+ 0 0 54 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.926 110.6 51.4 -59.5 -49.9 0.4 -2.2 -52.9 68 111 G L H X S+ 0 0 2 -4,-3.1 4,-1.9 1,-0.2 5,-0.4 0.935 114.1 43.4 -48.0 -54.7 2.5 -3.1 -56.0 69 112 G W H < S+ 0 0 8 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.784 114.2 50.2 -68.5 -29.7 1.0 -6.7 -56.0 70 113 G D H < S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.782 111.4 49.3 -77.7 -27.5 -2.5 -5.5 -55.4 71 114 G Q H < S+ 0 0 98 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.887 129.6 13.9 -78.3 -40.7 -2.3 -2.9 -58.2 72 115 G S S < S+ 0 0 28 -4,-1.9 2,-1.0 -5,-0.2 -3,-0.2 0.895 110.7 67.8-102.1 -68.7 -1.0 -5.2 -60.9 73 116 G L + 0 0 11 -5,-0.4 -1,-0.2 16,-0.1 16,-0.1 -0.425 63.0 168.0 -61.7 97.4 -1.2 -8.9 -60.0 74 117 G Q - 0 0 81 -2,-1.0 -4,-0.1 16,-0.2 4,-0.0 -0.960 25.2-140.5-119.8 117.2 -5.0 -9.4 -60.1 75 118 G P - 0 0 7 0, 0.0 12,-0.5 0, 0.0 214,-0.2 -0.309 17.7-123.2 -71.1 155.7 -6.4 -13.0 -60.0 76 119 G b S S+ 0 0 24 212,-1.8 11,-1.2 1,-0.2 2,-0.3 0.919 98.4 16.3 -61.9 -46.3 -9.4 -14.1 -62.1 77 120 G V E +I 288 0D 35 211,-1.3 211,-1.8 9,-0.2 2,-0.3 -0.919 69.3 173.7-128.1 155.1 -11.1 -15.2 -58.9 78 121 G K E -I 287 0D 38 7,-0.3 7,-3.7 -2,-0.3 2,-0.2 -0.917 27.5-124.5-162.8 131.9 -10.5 -14.5 -55.2 79 122 G L B -K 84 0E 59 207,-1.4 5,-0.3 -2,-0.3 -2,-0.0 -0.550 9.5-163.3 -78.5 144.3 -12.3 -15.2 -52.0 80 123 G T - 0 0 72 3,-3.4 2,-0.5 -2,-0.2 4,-0.1 -0.077 67.1 -75.9-114.0 31.4 -13.3 -12.4 -49.7 81 124 G G S S+ 0 0 38 2,-0.3 -2,-0.1 203,-0.2 345,-0.1 -0.560 121.8 5.0 111.3 -65.6 -13.9 -14.6 -46.7 82 198 G G S S+ 0 0 47 -2,-0.5 2,-0.2 343,-0.1 343,-0.2 0.460 129.2 49.3-126.0 -12.9 -17.2 -16.1 -47.5 83 199 G S S S- 0 0 56 342,-0.1 -3,-3.4 -5,-0.0 2,-0.3 -0.677 78.0-111.3-122.5 177.3 -17.8 -14.8 -51.0 84 200 G V B -K 79 0E 92 -5,-0.3 2,-0.6 -2,-0.2 -5,-0.3 -0.844 10.3-150.2-114.3 148.6 -15.8 -14.5 -54.3 85 201 G I - 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