==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 19-MAR-13 4JPV . COMPND 2 MOLECULE: HIV-1 CLADE A STRAIN 93TH057 GP120 WITH LOOP D AN . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.ZHOU,S.MOQUIN,P.D.KWONG . 762 6 12 8 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 64.7 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 . 252 33.1 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 . 4 0.5 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 . 1 0.1 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 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 7.3 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+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 1 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 . 6 8 13 5 4 5 5 1 0 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 . 2 2 5 2 1 1 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 0 145 0, 0.0 343,-0.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 134.1 -36.3 -5.6 -21.7 2 45 G W E -A 343 0A 72 341,-0.2 2,-0.3 342,-0.1 341,-0.2 -0.685 360.0-131.6-142.9-166.1 -34.0 -2.8 -20.7 3 46 G K E -A 342 0A 96 339,-1.3 339,-2.9 -2,-0.2 2,-0.2 -0.974 32.3 -90.9-158.5 150.2 -31.1 -0.7 -22.0 4 47 G D E +A 341 0A 107 -2,-0.3 2,-0.3 337,-0.2 337,-0.2 -0.445 59.1 169.2 -60.1 127.9 -27.7 0.6 -20.9 5 48 G A - 0 0 17 335,-1.5 2,-0.3 -2,-0.2 335,-0.1 -0.977 31.8-133.6-146.5 153.3 -28.3 4.0 -19.3 6 49 G D + 0 0 117 -2,-0.3 2,-0.3 50,-0.0 49,-0.0 -0.864 35.7 143.9-108.5 147.1 -26.6 6.7 -17.2 7 50 G T - 0 0 41 -2,-0.3 2,-0.5 335,-0.0 333,-0.0 -0.975 53.0 -73.8-167.4 171.0 -28.1 8.3 -14.2 8 51 G T - 0 0 112 -2,-0.3 2,-0.1 1,-0.0 49,-0.0 -0.652 47.8-159.2 -80.6 122.6 -27.3 9.8 -10.7 9 52 G L - 0 0 16 -2,-0.5 2,-0.3 94,-0.1 94,-0.2 -0.217 2.5-145.4 -84.5-179.3 -26.5 7.1 -8.2 10 53 G F E -E 102 0B 93 92,-2.1 92,-3.6 -2,-0.1 2,-0.3 -0.915 15.5-125.1-141.6 170.1 -26.7 7.3 -4.4 11 54 G a E -Ef 101 31B 7 19,-0.6 21,-2.7 -2,-0.3 2,-0.3 -0.844 12.5-161.0-128.3 156.2 -24.6 5.6 -1.7 12 55 G A E +Ef 100 32B 4 88,-2.4 88,-2.7 -2,-0.3 2,-0.3 -0.967 20.6 147.7-133.9 147.4 -24.9 3.5 1.3 13 56 G S E - f 0 33B 5 19,-2.1 21,-1.0 -2,-0.3 86,-0.1 -0.928 51.5-108.8-160.2-176.5 -22.6 2.8 4.3 14 57 G D + 0 0 99 84,-0.4 14,-0.1 -2,-0.3 10,-0.1 -0.190 51.5 163.4-118.0 37.8 -22.2 1.9 8.0 15 58 G A - 0 0 25 12,-0.1 2,-0.5 8,-0.1 -2,-0.1 -0.331 35.0-132.5 -56.9 130.9 -20.9 5.3 9.0 16 59 G K > - 0 0 108 1,-0.1 3,-0.7 -2,-0.0 12,-0.1 -0.788 4.0-144.6 -90.5 131.2 -21.1 5.9 12.7 17 60 G A T 3 S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.621 98.7 51.8 -72.4 -13.2 -22.5 9.3 13.7 18 61 G H T 3 S+ 0 0 140 2,-0.0 -1,-0.2 6,-0.0 2,-0.1 0.644 85.8 105.5 -95.1 -18.7 -20.3 9.6 16.7 19 62 G E < - 0 0 80 -3,-0.7 -4,-0.0 1,-0.1 0, 0.0 -0.357 53.6-163.0 -64.3 136.3 -17.1 8.9 14.8 20 63 G T + 0 0 107 -2,-0.1 73,-0.4 4,-0.1 -1,-0.1 0.414 53.3 122.4 -95.3 -2.0 -14.9 11.9 14.1 21 64 G E S > S- 0 0 9 1,-0.1 4,-2.0 71,-0.1 73,-0.2 -0.411 70.0-126.4 -63.0 135.4 -13.1 9.9 11.4 22 65 G V H > S+ 0 0 13 71,-1.9 4,-2.2 1,-0.2 5,-0.2 0.813 106.0 48.8 -61.5 -39.3 -13.4 11.8 8.1 23 66 G H H > S+ 0 0 6 70,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 112.5 51.8 -64.4 -42.4 -14.8 9.1 5.9 24 67 G N H > S+ 0 0 13 2,-0.2 4,-1.0 71,-0.2 -2,-0.2 0.883 109.6 48.4 -56.5 -44.8 -17.4 8.4 8.7 25 68 G V H X S+ 0 0 66 -4,-2.0 4,-0.8 2,-0.2 3,-0.4 0.949 113.3 46.8 -63.8 -50.7 -18.4 12.0 8.9 26 69 G W H >X S+ 0 0 29 -4,-2.2 3,-1.4 1,-0.2 4,-1.3 0.945 112.6 47.6 -56.1 -54.5 -18.8 12.4 5.1 27 70 G A H 3X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.700 102.3 66.1 -64.8 -19.1 -20.8 9.2 4.6 28 71 G T H 3< S+ 0 0 50 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.829 114.1 30.0 -69.6 -28.6 -23.0 10.2 7.5 29 72 G H H << S+ 0 0 159 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.2 0.525 128.5 38.7-108.4 -9.8 -24.3 13.1 5.5 30 73 G A H < S+ 0 0 51 -4,-1.3 -19,-0.6 -5,-0.1 2,-0.3 0.552 109.1 60.4-114.2 -11.9 -24.0 11.7 1.9 31 74 G a E < -f 11 0B 19 -4,-1.5 -19,-0.3 -5,-0.2 -1,-0.1 -0.888 65.5-134.2-129.8 148.9 -25.1 8.1 2.4 32 75 G V E -f 12 0B 67 -21,-2.7 -19,-2.1 -2,-0.3 -3,-0.0 -0.538 44.4 -89.4 -89.6 159.6 -28.1 6.0 3.5 33 76 G P E -f 13 0B 112 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.378 52.2 -98.0 -66.3 153.8 -27.7 3.1 5.9 34 77 G T - 0 0 37 -21,-1.0 3,-0.1 1,-0.1 -23,-0.0 -0.334 35.1-105.9 -71.3 153.0 -27.0 -0.3 4.3 35 78 G D - 0 0 107 1,-0.1 -1,-0.1 -2,-0.0 -23,-0.0 -0.669 19.7-144.8 -77.3 126.7 -29.8 -2.8 3.7 36 79 G P S S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.965 92.8 23.7 -52.2 -59.4 -29.7 -5.8 6.1 37 80 G N S S- 0 0 144 -3,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.813 77.4-172.0-117.4 90.3 -30.8 -8.3 3.5 38 81 G P - 0 0 89 0, 0.0 2,-0.4 0, 0.0 91,-0.0 -0.523 19.6-131.1 -73.7 145.9 -30.1 -7.3 -0.1 39 82 G Q - 0 0 116 -2,-0.2 91,-0.5 2,-0.0 2,-0.4 -0.790 19.2-170.9 -98.9 142.3 -31.6 -9.4 -2.8 40 83 G E - 0 0 77 -2,-0.4 2,-0.5 89,-0.1 89,-0.2 -0.999 5.4-163.6-125.7 133.5 -29.7 -10.7 -5.8 41 84 G I E -B 128 0A 84 87,-1.8 87,-1.3 -2,-0.4 2,-0.5 -0.972 12.5-141.6-119.8 121.4 -31.6 -12.4 -8.7 42 85 G H E -B 127 0A 107 -2,-0.5 2,-0.5 85,-0.2 85,-0.3 -0.692 18.1-137.1 -84.1 126.7 -29.7 -14.6 -11.2 43 86 G L > - 0 0 45 83,-2.0 3,-0.6 -2,-0.5 83,-0.5 -0.720 16.4-128.3 -90.2 125.6 -31.0 -14.1 -14.7 44 87 G E T 3 S- 0 0 163 -2,-0.5 81,-0.1 1,-0.2 -1,-0.0 -0.547 78.7 -10.4 -79.4 133.0 -31.4 -17.3 -16.8 45 88 G N T 3 S+ 0 0 152 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.891 94.3 140.8 49.3 52.8 -29.9 -17.5 -20.3 46 89 G V < - 0 0 36 -3,-0.6 80,-0.5 78,-0.6 2,-0.5 -0.976 34.1-163.8-125.6 137.6 -29.0 -13.8 -20.5 47 90 G T + 0 0 81 -2,-0.4 2,-0.4 78,-0.1 77,-0.2 -0.967 9.4 179.3-126.3 118.6 -25.9 -12.3 -22.1 48 91 G E E -H 123 0C 26 75,-1.4 75,-1.4 -2,-0.5 2,-0.4 -0.930 24.1-129.8-116.5 140.5 -24.8 -8.7 -21.4 49 92 G N E -H 122 0C 102 -2,-0.4 2,-0.3 73,-0.2 71,-0.0 -0.707 26.6-168.2 -84.5 135.0 -21.8 -6.8 -22.7 50 93 G F E -H 121 0C 11 71,-2.2 71,-1.2 -2,-0.4 2,-0.1 -0.788 15.5-173.9-116.7 164.4 -19.7 -5.0 -20.2 51 94 G N E > -H 120 0C 56 -2,-0.3 3,-2.3 69,-0.2 69,-0.2 -0.576 6.3-171.5-159.0 90.6 -16.9 -2.4 -20.5 52 95 G M G > S+ 0 0 2 67,-2.2 3,-0.6 1,-0.3 6,-0.1 0.683 87.6 61.2 -57.7 -18.8 -15.1 -1.4 -17.3 53 96 G W G 3 S+ 0 0 18 1,-0.3 -1,-0.3 66,-0.2 67,-0.1 0.562 108.6 40.5 -89.4 -9.1 -13.3 1.3 -19.3 54 97 G K G < S+ 0 0 146 -3,-2.3 2,-0.6 4,-0.0 -1,-0.3 -0.431 81.9 130.0-132.6 58.9 -16.5 3.1 -20.3 55 98 G N X - 0 0 20 -3,-0.6 3,-2.5 1,-0.1 4,-0.4 -0.892 45.6-157.5-122.7 100.8 -18.5 2.8 -17.1 56 99 G N T 3> S+ 0 0 58 -2,-0.6 4,-1.3 1,-0.3 -1,-0.1 0.608 85.7 80.9 -54.5 -14.2 -20.0 6.1 -15.8 57 100 G M H 3> S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.887 89.6 56.1 -57.2 -36.4 -20.1 4.6 -12.3 58 101 G V H <> S+ 0 0 0 -3,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.920 98.4 57.0 -61.5 -51.7 -16.5 5.5 -12.0 59 102 G E H > S+ 0 0 53 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.876 109.1 48.4 -48.4 -43.2 -16.9 9.2 -12.8 60 103 G Q H X S+ 0 0 28 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.877 108.7 49.2 -71.9 -41.8 -19.2 9.5 -9.8 61 104 G M H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.902 110.6 55.5 -62.4 -37.7 -17.1 7.7 -7.2 62 105 G Q H X S+ 0 0 23 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.900 106.6 47.7 -59.6 -44.7 -14.3 10.0 -8.4 63 106 G E H X S+ 0 0 128 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.885 109.9 56.4 -64.3 -36.2 -16.4 13.1 -7.7 64 107 G D H X S+ 0 0 43 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.938 110.2 40.3 -60.7 -52.5 -17.2 11.6 -4.3 65 108 G V H X S+ 0 0 4 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.919 111.4 56.2 -68.8 -41.6 -13.7 11.1 -3.1 66 109 G I H X S+ 0 0 49 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.922 112.3 44.7 -52.8 -43.8 -12.4 14.4 -4.5 67 110 G S H X S+ 0 0 43 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.844 110.7 54.8 -68.0 -34.9 -15.2 16.1 -2.5 68 111 G L H >X S+ 0 0 8 -4,-1.9 4,-1.4 1,-0.2 3,-0.5 0.964 112.6 41.5 -63.3 -50.7 -14.3 13.9 0.5 69 112 G W H 3X S+ 0 0 9 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.811 109.2 59.4 -65.7 -32.8 -10.6 15.0 0.5 70 113 G D H 3< S+ 0 0 93 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.780 114.0 36.2 -71.6 -25.5 -11.4 18.7 -0.2 71 114 G Q H << S+ 0 0 119 -4,-1.1 -1,-0.2 -3,-0.5 3,-0.2 0.715 124.3 39.8 -94.0 -26.1 -13.5 19.0 2.9 72 115 G S H < S+ 0 0 26 -4,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.902 117.3 32.1-101.3 -51.3 -11.4 16.8 5.2 73 116 G L < + 0 0 16 -4,-1.6 -1,-0.2 -5,-0.2 16,-0.1 -0.780 66.5 170.1-115.7 92.6 -7.7 17.3 4.6 74 117 G Q - 0 0 77 -2,-0.7 -4,-0.1 -3,-0.2 4,-0.0 -0.838 30.0-125.8 -98.3 131.9 -6.9 20.9 3.5 75 118 G P - 0 0 5 0, 0.0 12,-0.3 0, 0.0 213,-0.2 -0.237 13.6-120.0 -78.0 165.0 -3.2 21.8 3.4 76 119 G b S S+ 0 0 32 211,-2.5 11,-1.8 1,-0.2 2,-0.4 0.857 101.6 19.2 -66.7 -35.3 -1.5 24.7 5.2 77 120 G V E +IJ 86 287D 42 210,-1.1 210,-1.9 9,-0.2 2,-0.3 -0.997 68.5 160.3-138.4 139.4 -0.5 26.0 1.8 78 121 G K E -IJ 85 286D 68 7,-1.6 7,-3.4 -2,-0.4 2,-0.3 -0.979 32.8-113.9-150.1 161.7 -1.7 25.4 -1.8 79 122 G L E -I 84 0D 56 206,-1.1 2,-0.3 -2,-0.3 5,-0.2 -0.718 17.8-172.3 -97.1 146.1 -1.5 27.2 -5.2 80 123 G T E > -I 83 0D 64 3,-2.7 3,-1.3 -2,-0.3 2,-1.0 -0.791 66.2 -64.3-135.6 93.9 -4.4 28.7 -7.2 81 124 G G T 3 S- 0 0 29 -2,-0.3 342,-0.1 340,-0.3 -2,-0.0 -0.549 122.3 -14.6 64.1-102.6 -3.2 29.7 -10.6 82 198 G G T 3 S+ 0 0 57 -2,-1.0 2,-0.3 340,-0.1 -1,-0.3 0.044 122.2 88.0-118.0 25.0 -0.7 32.5 -9.6 83 199 G S E < -I 80 0D 77 -3,-1.3 -3,-2.7 338,-0.1 2,-0.6 -0.955 67.4-130.9-130.8 146.8 -1.8 32.9 -6.0 84 200 G V E -I 79 0D 110 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.830 18.3-154.3-100.9 120.9 -0.8 31.3 -2.7 85 201 G I E -I 78 0D 59 -7,-3.4 -7,-1.6 -2,-0.6 2,-0.5 -0.808 8.1-168.9 -97.9 126.9 -3.5 30.1 -0.3 86 202 G K E +I 77 0D 175 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.960 17.8 153.6-115.6 126.4 -2.9 29.8 3.4 87 203 G Q - 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