==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 10-JUN-11 3SE9 . COMPND 2 MOLECULE: HIV-1 CLADE AE STRAIN 93TH057 GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.D.KWONG,T.ZHOU . 777 6 12 8 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 267 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.3 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 . 1 0.1 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 . 93 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 8.4 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 1 3 1 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 . 2 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 7 11 8 6 7 2 1 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 6 3 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 0 125 0, 0.0 345,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.2 -18.8 -15.1 -35.8 2 45 G W E -A 345 0A 77 343,-0.3 2,-0.3 105,-0.0 343,-0.2 -0.901 360.0-159.5-148.2 173.3 -16.6 -12.2 -36.7 3 46 G K E -A 344 0A 106 341,-1.2 341,-3.0 -2,-0.3 0, 0.0 -0.983 38.5 -83.0-157.2 153.1 -14.3 -9.5 -35.3 4 47 G D E +A 343 0A 106 -2,-0.3 2,-0.3 339,-0.2 339,-0.2 -0.302 60.8 152.8 -53.4 133.0 -12.9 -6.1 -36.2 5 48 G A - 0 0 18 337,-1.6 2,-0.4 2,-0.0 337,-0.2 -0.984 38.5-129.1-157.7 160.7 -9.8 -6.5 -38.4 6 49 G D + 0 0 113 -2,-0.3 2,-0.3 335,-0.1 337,-0.0 -0.915 35.6 154.2-110.5 144.1 -7.9 -4.7 -41.1 7 50 G T - 0 0 32 -2,-0.4 2,-0.6 336,-0.0 335,-0.0 -0.947 48.9 -70.9-155.4 177.6 -6.9 -6.3 -44.4 8 51 G T - 0 0 112 -2,-0.3 2,-0.1 95,-0.0 49,-0.0 -0.654 48.5-158.0 -81.1 117.0 -6.0 -5.6 -48.0 9 52 G L - 0 0 17 -2,-0.6 2,-0.3 94,-0.1 94,-0.2 -0.436 3.0-148.1 -83.8 161.1 -9.0 -4.5 -50.0 10 53 G F E -E 102 0B 94 92,-2.4 92,-2.9 -2,-0.1 2,-0.3 -0.895 16.3-127.5-121.1 162.6 -9.5 -4.7 -53.8 11 54 G a E -E 101 0B 8 19,-0.5 21,-2.4 -2,-0.3 2,-0.3 -0.712 15.2-164.4-109.8 159.6 -11.5 -2.2 -55.9 12 55 G A E +Ef 100 32B 2 88,-2.0 88,-3.3 19,-0.3 2,-0.3 -0.987 18.0 156.1-138.8 146.5 -14.2 -2.7 -58.5 13 56 G S E -Ef 99 33B 7 19,-2.4 21,-1.0 -2,-0.3 86,-0.1 -0.951 51.0-114.3-157.4 175.0 -15.5 -0.2 -61.1 14 57 G D + 0 0 112 84,-0.5 85,-0.1 -2,-0.3 14,-0.1 0.018 58.1 157.8-104.4 25.2 -17.3 0.3 -64.4 15 58 G A - 0 0 25 17,-0.2 2,-0.5 83,-0.1 -2,-0.1 -0.086 38.6-128.1 -52.3 146.6 -14.1 1.7 -66.0 16 59 G K > - 0 0 106 1,-0.1 3,-1.0 2,-0.0 12,-0.2 -0.888 4.4-150.4-106.5 127.9 -13.9 1.5 -69.8 17 60 G A T 3 S+ 0 0 89 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.712 99.0 51.4 -65.8 -25.4 -10.8 -0.0 -71.4 18 61 G H T 3 S+ 0 0 156 -3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.607 88.5 105.9 -86.8 -13.3 -11.1 2.2 -74.5 19 62 G E < - 0 0 62 -3,-1.0 -4,-0.0 1,-0.1 0, 0.0 -0.371 53.8-161.6 -74.8 144.1 -11.4 5.4 -72.4 20 63 G T + 0 0 102 -2,-0.1 73,-0.3 4,-0.1 -1,-0.1 0.640 56.5 116.8 -95.3 -20.6 -8.5 7.8 -72.3 21 64 G E S > S- 0 0 6 1,-0.1 4,-1.7 71,-0.1 3,-0.2 -0.224 71.9-127.2 -52.0 135.1 -9.9 9.5 -69.2 22 65 G V H > S+ 0 0 11 71,-2.6 4,-2.4 1,-0.2 5,-0.2 0.802 103.7 51.7 -69.2 -34.5 -7.3 9.0 -66.4 23 66 G H H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.898 111.6 51.6 -66.3 -37.6 -9.5 7.5 -63.6 24 67 G N H > S+ 0 0 10 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.877 109.7 48.3 -61.0 -42.0 -10.8 5.0 -66.2 25 68 G V H X S+ 0 0 76 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.925 114.0 46.5 -67.1 -44.9 -7.2 4.1 -67.2 26 69 G W H X S+ 0 0 20 -4,-2.4 4,-2.9 1,-0.2 3,-0.3 0.935 115.4 44.6 -62.2 -46.6 -6.2 3.6 -63.6 27 70 G A H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.741 104.4 63.1 -75.9 -22.8 -9.3 1.6 -62.6 28 71 G T H < S+ 0 0 63 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.870 116.1 32.1 -65.9 -39.0 -9.1 -0.6 -65.8 29 72 G H H < S+ 0 0 167 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.1 0.925 127.6 37.8 -79.0 -51.1 -5.7 -1.9 -64.5 30 73 G A H < S+ 0 0 42 -4,-2.9 -19,-0.5 -5,-0.2 2,-0.2 0.771 110.9 55.5 -77.8 -27.6 -6.3 -1.7 -60.7 31 74 G a < - 0 0 17 -4,-2.0 -19,-0.3 -5,-0.2 3,-0.1 -0.638 65.7-132.1-115.2 162.5 -9.9 -2.9 -60.4 32 75 G V E -f 12 0B 68 -21,-2.4 -19,-2.4 -2,-0.2 -17,-0.2 -0.517 49.3 -74.1 -96.9 171.2 -12.2 -5.7 -61.3 33 76 G P E -f 13 0B 108 0, 0.0 -19,-0.2 0, 0.0 -1,-0.2 -0.349 61.8 -88.6 -61.9 149.9 -15.7 -5.3 -62.8 34 77 G T - 0 0 32 -21,-1.0 -21,-0.0 1,-0.2 -23,-0.0 -0.276 59.6 -82.0 -56.1 141.4 -18.5 -4.1 -60.5 35 78 G D - 0 0 45 1,-0.2 -1,-0.2 -3,-0.1 96,-0.0 -0.274 38.8-152.2 -47.2 114.3 -20.3 -6.9 -58.7 36 79 G P S S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.780 91.6 26.6 -66.4 -23.8 -22.8 -8.1 -61.3 37 80 G N S S- 0 0 110 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.596 78.8-172.5-138.4 76.5 -25.0 -9.2 -58.5 38 81 G P + 0 0 86 0, 0.0 2,-0.4 0, 0.0 91,-0.0 -0.536 9.1 179.2 -69.3 128.4 -24.5 -7.2 -55.3 39 82 G Q - 0 0 128 -2,-0.3 2,-0.3 2,-0.0 91,-0.2 -0.990 12.0-162.3-134.2 127.0 -26.4 -8.6 -52.4 40 83 G E - 0 0 102 -2,-0.4 2,-0.5 89,-0.1 89,-0.2 -0.815 10.4-145.9-104.1 148.9 -26.4 -7.3 -48.8 41 84 G I E -B 128 0A 109 87,-2.2 87,-2.3 -2,-0.3 2,-0.3 -0.958 12.0-133.0-120.5 119.5 -27.6 -9.3 -45.9 42 85 G H E -B 127 0A 108 -2,-0.5 2,-1.0 85,-0.3 85,-0.3 -0.523 16.0-138.3 -69.9 131.4 -29.4 -7.7 -42.9 43 86 G L > - 0 0 26 83,-3.0 3,-1.5 -2,-0.3 83,-0.5 -0.786 23.9-137.4 -94.9 98.2 -28.0 -8.9 -39.6 44 87 G E T 3 S- 0 0 164 -2,-1.0 3,-0.1 1,-0.3 81,-0.1 -0.263 77.3 -4.1 -64.2 133.7 -31.1 -9.5 -37.4 45 88 G N T 3 S+ 0 0 165 1,-0.2 2,-0.5 79,-0.1 -1,-0.3 0.769 99.3 140.8 59.8 27.9 -31.0 -8.3 -33.8 46 89 G V < - 0 0 31 -3,-1.5 80,-0.6 78,-0.2 2,-0.4 -0.896 33.1-171.1-109.0 127.5 -27.3 -7.3 -34.3 47 90 G T + 0 0 76 -2,-0.5 2,-0.3 -3,-0.1 77,-0.2 -0.968 10.5 179.9-114.6 131.7 -25.7 -4.2 -32.8 48 91 G E E -I 123 0C 36 75,-1.9 75,-2.0 -2,-0.4 2,-0.3 -0.972 23.7-127.4-131.7 144.5 -22.2 -3.1 -33.9 49 92 G N E -I 122 0C 103 -2,-0.3 2,-0.3 73,-0.2 71,-0.0 -0.710 26.9-169.8 -88.9 141.4 -19.9 -0.2 -33.0 50 93 G F E -I 121 0C 8 71,-2.8 71,-2.0 -2,-0.3 2,-0.2 -0.893 16.1-169.5-125.0 159.0 -18.4 1.9 -35.7 51 94 G N E > -I 120 0C 60 -2,-0.3 3,-1.7 69,-0.2 69,-0.2 -0.720 2.2-172.9-149.6 98.5 -15.7 4.6 -35.8 52 95 G M T 3 S+ 0 0 1 67,-2.6 3,-0.4 1,-0.3 68,-0.1 0.671 86.7 57.7 -65.1 -19.5 -15.4 6.5 -39.1 53 96 G W T 3 S+ 0 0 16 1,-0.3 -1,-0.3 66,-0.2 2,-0.1 0.542 109.7 43.9 -91.6 -10.4 -12.2 8.3 -37.9 54 97 G K S < S+ 0 0 155 -3,-1.7 2,-0.5 399,-0.0 -1,-0.3 -0.604 80.7 127.6-130.0 69.8 -10.4 5.0 -37.3 55 98 G N >> - 0 0 13 -3,-0.4 3,-2.1 -2,-0.1 4,-0.6 -0.930 46.9-156.7-131.9 104.4 -11.3 3.1 -40.4 56 99 G N H 3> S+ 0 0 48 -2,-0.5 4,-1.4 1,-0.3 5,-0.1 0.621 88.3 74.3 -63.2 -13.4 -8.4 1.6 -42.3 57 100 G M H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.873 92.1 57.7 -62.0 -35.1 -10.4 1.5 -45.5 58 101 G V H <> S+ 0 0 0 -3,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.930 103.1 51.9 -61.1 -44.8 -9.9 5.3 -45.6 59 102 G E H X S+ 0 0 50 -4,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.848 109.3 50.0 -58.9 -37.9 -6.2 4.8 -45.6 60 103 G Q H X S+ 0 0 29 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.885 110.1 49.1 -74.5 -37.7 -6.4 2.4 -48.6 61 104 G M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.916 109.1 53.6 -65.0 -41.7 -8.5 4.8 -50.6 62 105 G Q H X S+ 0 0 19 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.936 107.9 51.0 -59.3 -43.3 -6.1 7.6 -49.9 63 106 G E H X S+ 0 0 123 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.916 110.6 49.0 -60.0 -42.9 -3.3 5.5 -51.2 64 107 G D H X S+ 0 0 39 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.939 112.4 46.0 -61.5 -48.3 -5.2 4.7 -54.4 65 108 G V H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.887 112.6 50.6 -68.7 -36.4 -6.1 8.3 -55.2 66 109 G I H X S+ 0 0 54 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.927 112.7 47.6 -61.5 -42.9 -2.5 9.5 -54.4 67 110 G S H X S+ 0 0 52 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.919 110.8 51.4 -65.3 -43.7 -1.3 6.7 -56.8 68 111 G L H >X S+ 0 0 6 -4,-3.0 4,-1.1 1,-0.2 3,-0.5 0.934 113.2 43.8 -57.5 -49.3 -3.8 7.7 -59.5 69 112 G W H 3X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.824 108.6 60.3 -67.6 -30.0 -2.7 11.4 -59.3 70 113 G D H 3< S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.794 114.3 33.0 -68.5 -30.1 0.9 10.5 -59.2 71 114 G Q H << S+ 0 0 127 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.532 130.0 33.5-104.9 -6.8 0.8 8.7 -62.6 72 115 G S H < S+ 0 0 25 -4,-1.1 -3,-0.2 -5,-0.2 -2,-0.2 0.673 122.2 37.7-119.6 -27.4 -1.8 10.9 -64.3 73 116 G L S < S+ 0 0 11 -4,-2.3 -2,-0.1 -5,-0.3 -4,-0.1 -0.260 71.1 160.2-123.4 46.2 -1.3 14.4 -63.0 74 117 G Q - 0 0 39 1,-0.1 2,-0.1 -4,-0.1 -4,-0.1 -0.490 40.7-119.9 -67.9 133.2 2.5 14.7 -62.7 75 118 G P - 0 0 2 0, 0.0 12,-0.2 0, 0.0 214,-0.2 -0.397 8.6-126.8 -73.9 152.5 3.5 18.4 -62.6 76 119 G b S S+ 0 0 26 212,-1.4 11,-2.1 1,-0.3 2,-0.4 0.874 104.1 24.9 -62.3 -37.5 5.9 19.9 -65.2 77 120 G V E S-JK 86 288D 44 211,-1.6 211,-1.9 9,-0.2 2,-0.5 -0.984 72.9-167.7-132.4 122.3 8.0 21.0 -62.3 78 121 G K E -JK 85 287D 35 7,-2.6 7,-2.5 -2,-0.4 2,-0.6 -0.927 1.4-167.5-110.4 130.9 8.0 19.5 -58.9 79 122 G L E +JK 84 286D 50 207,-2.8 207,-1.9 -2,-0.5 2,-0.5 -0.936 15.4 167.3-119.1 104.6 9.7 21.3 -56.0 80 123 G T E > -J 83 0D 44 3,-1.8 3,-1.6 -2,-0.6 2,-0.7 -0.980 69.3 -35.7-123.5 119.8 10.1 19.0 -53.0 81 124 G G T 3 S- 0 0 49 -2,-0.5 343,-0.1 1,-0.3 344,-0.0 -0.610 122.1 -41.3 64.3-113.5 12.4 20.2 -50.3 82 198 G G T 3 S+ 0 0 69 -2,-0.7 2,-0.3 342,-0.0 -1,-0.3 0.469 113.3 104.8-118.7 -7.7 15.0 22.0 -52.4 83 199 G S E < -J 80 0D 70 -3,-1.6 -3,-1.8 1,-0.0 2,-0.5 -0.604 58.5-145.7 -86.5 132.1 15.3 19.5 -55.2 84 200 G V E -J 79 0D 87 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.838 11.2-168.5 -99.9 125.5 13.8 20.3 -58.6 85 201 G I E -J 78 0D 78 -7,-2.5 -7,-2.6 -2,-0.5 2,-0.5 -0.944 3.5-163.2-109.4 132.0 12.3 17.6 -60.9 86 202 G K E +J 77 0D 174 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.962 23.7 148.3-113.9 128.3 11.4 18.4 -64.4 87 203 G Q - 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