==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 19-MAR-13 4JPW . COMPND 2 MOLECULE: HIV-1 CLADE A/E STRAIN 73TH057 GP120 WITH MUTATIO . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.ACHARYA,T.LUONGO,T.ZHOU,P.D.KWONG . 776 5 12 8 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 67.3 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 . 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 . 103 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 7.3 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 . 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 1 2 0 0 1 0 0 0 0 0 0 1 1 0 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 . 7 5 13 8 8 5 3 0 2 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 0 6 2 1 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 0 122 0, 0.0 346,-1.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 126.4 -24.2 -43.9 -26.3 2 45 G W E -A 346 0A 70 344,-0.2 2,-0.3 345,-0.1 344,-0.2 -0.946 360.0-142.9-159.2 174.7 -21.0 -42.0 -27.4 3 46 G K E -A 345 0A 103 342,-1.9 342,-3.4 -2,-0.3 2,-0.2 -0.957 35.1 -88.9-144.2 162.3 -18.3 -39.5 -26.4 4 47 G D E +A 344 0A 99 -2,-0.3 2,-0.3 340,-0.3 340,-0.2 -0.490 55.0 159.6 -72.4 142.8 -16.4 -36.7 -28.0 5 48 G A - 0 0 20 338,-1.9 2,-0.4 -2,-0.2 338,-0.2 -0.986 35.3-127.7-158.1 162.8 -13.1 -37.8 -29.7 6 49 G D + 0 0 112 -2,-0.3 2,-0.3 50,-0.0 338,-0.0 -0.960 32.2 163.1-118.0 137.6 -10.5 -36.8 -32.3 7 50 G T - 0 0 29 -2,-0.4 2,-0.6 337,-0.0 -2,-0.0 -0.982 46.5 -89.6-149.0 157.9 -9.4 -39.1 -35.1 8 51 G T - 0 0 111 -2,-0.3 2,-0.1 1,-0.0 -2,-0.0 -0.590 51.5-157.7 -71.2 116.4 -7.6 -38.9 -38.5 9 52 G L - 0 0 22 -2,-0.6 2,-0.3 94,-0.1 94,-0.2 -0.233 7.7-141.7 -88.3 177.3 -10.3 -38.2 -41.1 10 53 G F E -E 102 0B 84 92,-1.8 92,-2.7 -2,-0.1 2,-0.2 -0.984 15.1-129.8-138.7 151.0 -10.4 -38.7 -44.8 11 54 G a E -E 101 0B 6 19,-0.5 21,-2.5 -2,-0.3 2,-0.3 -0.656 14.3-163.0-104.6 156.6 -11.9 -36.6 -47.6 12 55 G A E +Ef 100 32B 3 88,-2.6 88,-3.2 19,-0.3 2,-0.3 -0.974 16.0 157.1-135.4 150.5 -14.3 -37.3 -50.4 13 56 G S E - f 0 33B 6 19,-2.1 21,-0.9 -2,-0.3 86,-0.1 -0.949 48.0-116.3-158.9 174.5 -15.2 -35.5 -53.6 14 57 G D + 0 0 106 84,-0.4 2,-0.1 -2,-0.3 14,-0.1 -0.160 59.1 150.1-110.9 35.8 -16.5 -35.7 -57.2 15 58 G A - 0 0 25 12,-0.1 2,-0.3 83,-0.1 -2,-0.1 -0.411 44.7-125.1 -71.0 143.7 -13.3 -34.6 -58.7 16 59 G K - 0 0 103 -2,-0.1 3,-0.5 1,-0.1 12,-0.2 -0.712 5.1-141.1 -91.4 141.9 -12.4 -35.9 -62.2 17 60 G A S S+ 0 0 88 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.470 99.6 52.8 -81.2 -1.5 -9.1 -37.7 -62.7 18 61 G H S S+ 0 0 145 2,-0.0 -1,-0.2 6,-0.0 2,-0.1 0.595 81.5 108.6-106.5 -17.3 -8.6 -36.1 -66.1 19 62 G E - 0 0 67 -3,-0.5 -4,-0.0 1,-0.1 0, 0.0 -0.347 55.6-154.3 -68.5 141.1 -9.0 -32.5 -65.2 20 63 G T + 0 0 109 4,-0.1 73,-0.4 -2,-0.1 -1,-0.1 0.504 59.9 115.7 -91.9 -7.3 -5.9 -30.3 -65.2 21 64 G E S > S- 0 0 7 1,-0.1 4,-2.2 71,-0.1 73,-0.2 -0.415 72.5-126.5 -65.0 139.4 -7.5 -27.9 -62.6 22 65 G V H > S+ 0 0 13 71,-2.6 4,-2.4 1,-0.2 5,-0.2 0.821 104.2 51.1 -63.4 -38.7 -5.5 -27.9 -59.4 23 66 G H H > S+ 0 0 3 70,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 112.8 46.9 -66.5 -41.2 -8.3 -28.7 -56.9 24 67 G N H > S+ 0 0 15 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.901 111.6 51.8 -64.7 -41.9 -9.4 -31.7 -59.0 25 68 G V H X S+ 0 0 69 -4,-2.2 4,-1.2 2,-0.2 3,-0.3 0.942 113.5 42.8 -60.1 -50.2 -5.9 -32.9 -59.3 26 69 G W H >X S+ 0 0 10 -4,-2.4 4,-1.9 1,-0.2 3,-0.5 0.931 113.1 51.5 -62.8 -47.8 -5.3 -32.8 -55.6 27 70 G A H 3X S+ 0 0 2 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.722 103.6 61.7 -64.2 -22.0 -8.7 -34.3 -54.7 28 71 G T H 3< S+ 0 0 62 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.904 116.4 27.3 -69.8 -41.4 -8.0 -37.2 -57.1 29 72 G H H << S+ 0 0 113 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.588 128.6 41.7 -99.0 -13.1 -4.9 -38.4 -55.2 30 73 G A H < S+ 0 0 43 -4,-1.9 -19,-0.5 -5,-0.2 2,-0.2 0.635 112.7 46.6-108.1 -19.9 -5.8 -37.3 -51.7 31 74 G a S < S- 0 0 16 -4,-1.2 -19,-0.3 -5,-0.3 68,-0.0 -0.664 70.8-124.0-120.8 174.2 -9.5 -38.1 -51.5 32 75 G V E -f 12 0B 64 -21,-2.5 -19,-2.1 -2,-0.2 3,-0.1 -0.667 42.7 -80.9-110.1 166.4 -11.9 -40.9 -52.2 33 76 G P E -f 13 0B 114 0, 0.0 2,-0.2 0, 0.0 -19,-0.2 -0.296 55.5 -94.9 -63.4 157.2 -15.1 -40.9 -54.4 34 77 G T - 0 0 36 -21,-0.9 -23,-0.0 -22,-0.1 3,-0.0 -0.519 42.6-100.3 -76.8 138.5 -18.3 -39.5 -52.9 35 78 G D - 0 0 74 -2,-0.2 -1,-0.1 1,-0.2 96,-0.0 -0.430 26.5-152.5 -59.7 117.5 -20.7 -41.9 -51.3 36 79 G P S S+ 0 0 130 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.873 91.4 32.8 -60.1 -41.5 -23.5 -42.6 -53.8 37 80 G N S S- 0 0 116 -3,-0.0 2,-0.1 2,-0.0 -2,-0.0 -0.771 83.0-166.3-121.2 85.2 -26.0 -43.3 -51.1 38 81 G P - 0 0 92 0, 0.0 2,-0.4 0, 0.0 91,-0.0 -0.422 12.2-138.4 -70.7 143.9 -25.2 -41.2 -48.0 39 82 G Q + 0 0 118 -2,-0.1 91,-0.6 2,-0.0 2,-0.4 -0.874 20.4 179.8-109.3 136.2 -26.9 -42.2 -44.7 40 83 G E E -B 129 0A 120 -2,-0.4 2,-0.5 89,-0.1 89,-0.2 -0.974 6.0-168.0-136.9 122.4 -28.4 -39.7 -42.2 41 84 G I E -B 128 0A 94 87,-1.9 87,-1.6 -2,-0.4 2,-0.1 -0.936 14.5-140.3-116.6 118.9 -30.1 -40.9 -39.0 42 85 G H E -B 127 0A 86 -2,-0.5 2,-0.6 85,-0.2 85,-0.2 -0.444 11.4-146.2 -72.3 148.1 -32.1 -38.5 -36.8 43 86 G L E > -B 126 0A 35 83,-2.2 3,-1.1 -2,-0.1 83,-0.6 -0.862 12.4-152.6-123.0 96.8 -31.7 -38.8 -33.0 44 87 G E T 3 S+ 0 0 133 -2,-0.6 3,-0.1 1,-0.2 81,-0.1 -0.272 77.1 11.5 -68.3 152.2 -34.9 -38.1 -31.0 45 88 G N T 3 S+ 0 0 170 1,-0.2 2,-0.6 79,-0.1 -1,-0.2 0.515 95.1 133.7 59.9 6.6 -34.7 -36.8 -27.5 46 89 G V < - 0 0 30 -3,-1.1 2,-0.6 78,-0.2 80,-0.4 -0.787 33.8-177.7 -95.1 118.0 -31.0 -36.2 -28.0 47 90 G T + 0 0 77 -2,-0.6 2,-0.3 -3,-0.1 77,-0.2 -0.857 14.0 177.2-115.0 94.5 -29.7 -32.9 -26.8 48 91 G E E -H 123 0C 33 75,-1.3 75,-1.3 -2,-0.6 2,-0.4 -0.710 23.4-128.8-101.0 148.2 -26.0 -32.7 -27.7 49 92 G N E -H 122 0C 95 -2,-0.3 2,-0.3 73,-0.3 71,-0.0 -0.786 22.2-167.0 -98.3 137.7 -23.6 -29.8 -27.2 50 93 G F E -H 121 0C 7 71,-2.7 71,-0.9 -2,-0.4 2,-0.2 -0.793 12.0-168.8-116.7 162.1 -21.4 -28.3 -29.9 51 94 G N E > -H 120 0C 62 -2,-0.3 3,-1.6 69,-0.2 69,-0.2 -0.671 4.7-175.3-152.9 94.9 -18.4 -25.9 -29.9 52 95 G M T 3 S+ 0 0 2 67,-1.6 3,-0.5 1,-0.3 68,-0.1 0.667 85.1 62.3 -64.5 -18.1 -17.3 -24.6 -33.3 53 96 G W T 3 S+ 0 0 16 1,-0.3 -1,-0.3 66,-0.1 2,-0.1 0.586 109.9 39.4 -88.9 -11.3 -14.4 -22.8 -31.6 54 97 G K S < S+ 0 0 159 -3,-1.6 2,-0.5 4,-0.0 -1,-0.3 -0.585 81.1 130.8-132.7 72.5 -12.9 -26.1 -30.4 55 98 G N >> - 0 0 10 -3,-0.5 3,-1.9 -2,-0.1 4,-0.7 -0.955 45.4-155.7-128.3 112.5 -13.4 -28.5 -33.3 56 99 G N H 3> S+ 0 0 51 -2,-0.5 4,-1.5 1,-0.3 5,-0.1 0.636 90.6 74.8 -63.9 -13.5 -10.5 -30.6 -34.5 57 100 G M H 3> S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.872 93.8 53.8 -61.7 -36.9 -12.2 -30.9 -37.9 58 101 G V H <> S+ 0 0 1 -3,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.916 106.9 49.2 -62.8 -45.5 -11.2 -27.3 -38.5 59 102 G E H X S+ 0 0 52 -4,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.805 112.7 48.8 -66.1 -30.0 -7.5 -28.0 -37.7 60 103 G Q H X S+ 0 0 28 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.816 108.9 50.4 -82.7 -32.0 -7.6 -31.0 -40.1 61 104 G M H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.894 107.6 55.4 -69.6 -40.2 -9.2 -29.1 -43.0 62 105 G Q H X S+ 0 0 24 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.922 104.9 53.0 -55.3 -46.8 -6.6 -26.4 -42.7 63 106 G E H X S+ 0 0 122 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.857 108.6 50.4 -58.8 -38.1 -3.9 -29.0 -43.0 64 107 G D H X S+ 0 0 41 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.930 111.2 46.8 -65.3 -47.5 -5.4 -30.2 -46.3 65 108 G V H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.892 110.5 53.3 -63.4 -40.3 -5.7 -26.7 -47.7 66 109 G I H X S+ 0 0 55 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.935 112.3 45.5 -55.6 -47.7 -2.1 -26.1 -46.7 67 110 G S H X S+ 0 0 41 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.881 111.7 53.1 -62.9 -40.7 -1.1 -29.2 -48.5 68 111 G L H X S+ 0 0 4 -4,-2.7 4,-0.5 1,-0.2 3,-0.4 0.961 113.1 40.7 -61.2 -55.0 -3.3 -28.3 -51.5 69 112 G W H >X S+ 0 0 11 -4,-2.7 4,-1.5 1,-0.2 3,-0.7 0.854 108.7 61.6 -63.8 -37.2 -1.7 -24.8 -52.1 70 113 G D H 3< S+ 0 0 112 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.864 115.6 30.6 -59.9 -38.7 1.8 -26.0 -51.4 71 114 G Q H 3< S+ 0 0 94 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.328 123.2 48.7-105.5 5.9 1.9 -28.4 -54.3 72 115 G S H << S+ 0 0 7 -3,-0.7 2,-0.7 -4,-0.5 -3,-0.2 0.809 97.8 59.4-106.6 -60.4 -0.5 -26.5 -56.6 73 116 G L < - 0 0 10 -4,-1.5 -1,-0.2 -5,-0.2 18,-0.1 -0.646 64.4-169.3 -80.0 112.1 0.6 -22.9 -56.8 74 117 G Q - 0 0 70 -2,-0.7 2,-0.1 16,-0.3 -3,-0.1 -0.869 7.2-161.6-104.9 102.8 4.1 -22.6 -58.1 75 118 G P - 0 0 3 0, 0.0 215,-0.3 0, 0.0 12,-0.1 -0.346 23.7-124.6 -75.8 162.2 5.5 -19.1 -57.7 76 119 G b S S+ 0 0 22 213,-2.1 11,-2.7 1,-0.3 2,-0.4 0.966 95.6 16.9 -69.0 -55.6 8.5 -17.8 -59.7 77 120 G V E -IJ 86 289D 27 212,-1.3 212,-2.0 9,-0.2 2,-0.6 -0.945 69.1-149.8-121.7 141.9 10.5 -16.8 -56.6 78 121 G K E -IJ 85 288D 43 7,-1.1 2,-1.7 -2,-0.4 7,-1.1 -0.911 4.4-161.7-115.0 105.7 9.9 -17.9 -53.0 79 122 G L E +IJ 84 287D 50 208,-1.8 208,-1.9 -2,-0.6 2,-0.5 -0.540 35.2 145.3 -86.6 73.7 10.9 -15.2 -50.4 80 123 G T E > -I 83 0D 44 -2,-1.7 3,-0.5 3,-0.7 206,-0.1 -0.951 64.1 -36.7-116.6 119.9 11.2 -17.4 -47.3 81 124 G G T 3 S- 0 0 47 -2,-0.5 342,-0.1 204,-0.3 341,-0.1 -0.341 109.5 -40.6 68.2-153.1 13.8 -16.7 -44.7 82 198 G G T 3 S+ 0 0 86 340,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.739 122.2 83.1 -78.0 -24.3 17.2 -15.5 -45.9 83 199 G S E < -I 80 0D 87 -3,-0.5 -3,-0.7 -4,-0.0 2,-0.4 -0.534 65.7-152.7 -83.4 146.0 17.2 -17.9 -48.8 84 200 G V E -I 79 0D 87 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.940 3.9-153.3-116.6 142.7 15.4 -17.3 -52.1 85 201 G I E -I 78 0D 69 -7,-1.1 -7,-1.1 -2,-0.4 2,-0.4 -0.896 5.9-166.6-123.3 103.9 14.1 -20.0 -54.4 86 202 G K E +I 77 0D 172 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.736 25.2 148.8 -87.6 132.6 13.8 -19.5 -58.1 87 203 G Q - 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