==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/IMMUNE SYSTEM 23-JUL-13 4LSU . COMPND 2 MOLECULE: HIV-1 CLADE A/E STRAIN 93TH057 GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.ZHOU,S.MOQUIN,P.D.KWONG . 771 5 13 11 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 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 . 255 33.1 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 . 4 0.5 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 . 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 . 91 11.8 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 . 60 7.8 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 4 0 0 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 . 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 . 8 5 12 8 7 7 1 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 . 1 1 6 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 0 126 0, 0.0 346,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 138.3 -2.5 32.2 25.1 2 45 G W E -A 346 0A 78 344,-0.2 2,-0.3 105,-0.0 344,-0.2 -0.940 360.0-152.9-158.8 178.7 0.5 29.8 25.9 3 46 G K E -A 345 0A 110 342,-1.3 342,-2.8 -2,-0.3 2,-0.0 -0.988 34.9 -86.1-160.4 148.4 2.6 27.0 24.4 4 47 G D E +A 344 0A 101 -2,-0.3 2,-0.3 340,-0.2 340,-0.2 -0.365 59.3 157.8 -53.5 129.6 4.6 24.0 25.3 5 48 G A - 0 0 20 338,-1.6 2,-0.4 2,-0.0 338,-0.2 -0.953 34.4-134.0-147.9 166.3 8.1 25.2 26.1 6 49 G D + 0 0 107 -2,-0.3 2,-0.3 336,-0.1 338,-0.0 -0.965 30.7 158.1-122.6 142.7 11.1 23.9 28.1 7 50 G T - 0 0 34 -2,-0.4 2,-0.4 338,-0.0 -2,-0.0 -0.967 49.8 -80.3-154.6 162.6 13.1 26.0 30.5 8 51 G T - 0 0 112 -2,-0.3 2,-0.2 1,-0.0 49,-0.0 -0.577 50.3-153.6 -69.1 123.0 15.4 25.5 33.4 9 52 G L - 0 0 20 -2,-0.4 2,-0.3 94,-0.1 94,-0.2 -0.505 3.3-139.9 -87.6 162.4 13.3 24.9 36.5 10 53 G F E -E 102 0B 76 92,-1.9 92,-2.9 -2,-0.2 2,-0.3 -0.794 17.3-128.5-110.9 164.3 14.2 25.6 40.1 11 54 G a E -E 101 0B 7 19,-0.4 21,-1.8 -2,-0.3 2,-0.3 -0.837 12.9-157.1-112.9 155.2 13.4 23.3 43.1 12 55 G A E +Ef 100 32B 3 88,-2.3 88,-3.0 -2,-0.3 2,-0.3 -0.951 21.5 158.8-130.3 146.9 11.7 24.1 46.4 13 56 G S E - f 0 33B 7 19,-2.9 21,-0.7 -2,-0.3 86,-0.1 -0.976 47.7-124.0-162.7 168.6 12.0 22.2 49.7 14 57 G D + 0 0 104 84,-0.5 2,-0.1 -2,-0.3 10,-0.1 -0.094 52.4 155.9-112.5 32.3 11.7 22.0 53.5 15 58 G A - 0 0 25 17,-0.2 2,-0.6 8,-0.1 -2,-0.1 -0.344 43.4-124.8 -66.5 136.3 15.3 20.9 54.1 16 59 G K > - 0 0 100 1,-0.1 3,-0.9 -2,-0.1 12,-0.1 -0.750 9.4-152.8 -85.0 119.4 16.7 21.7 57.5 17 60 G A T 3 S+ 0 0 84 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.609 94.7 54.5 -64.0 -15.6 20.0 23.7 57.2 18 61 G H T 3 S+ 0 0 154 2,-0.0 -1,-0.2 6,-0.0 7,-0.0 0.699 90.2 95.5 -91.6 -21.9 21.2 22.2 60.6 19 62 G E < - 0 0 69 -3,-0.9 -4,-0.0 1,-0.1 0, 0.0 -0.165 59.9-152.4 -75.5 163.5 20.7 18.6 59.6 20 63 G T + 0 0 110 4,-0.0 73,-0.3 5,-0.0 -1,-0.1 0.580 55.7 118.4-113.3 -18.9 23.4 16.2 58.3 21 64 G E S > S- 0 0 11 1,-0.1 4,-1.8 71,-0.1 3,-0.4 -0.290 72.7-122.3 -52.2 135.5 21.3 13.8 56.3 22 65 G V H > S+ 0 0 12 71,-2.4 4,-2.2 1,-0.3 5,-0.1 0.726 105.4 53.0 -66.0 -28.0 22.5 14.1 52.8 23 66 G H H > S+ 0 0 2 70,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.904 109.5 50.4 -71.0 -41.6 19.2 15.1 51.1 24 67 G N H > S+ 0 0 6 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.888 110.9 50.5 -61.3 -39.1 18.7 17.9 53.5 25 68 G V H X S+ 0 0 58 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.957 112.1 44.9 -64.0 -51.1 22.3 19.1 52.8 26 69 G W H >X S+ 0 0 12 -4,-2.2 4,-0.7 1,-0.2 3,-0.6 0.951 115.9 46.3 -59.1 -49.9 21.9 19.1 49.0 27 70 G A H 3X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.798 102.5 66.0 -63.9 -31.0 18.5 20.8 49.1 28 71 G T H 3< S+ 0 0 61 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.894 116.8 24.6 -62.4 -39.7 19.6 23.4 51.6 29 72 G H H << S+ 0 0 121 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.351 129.3 45.1-103.6 2.3 22.1 24.9 49.1 30 73 G A H < S+ 0 0 41 -4,-0.7 -19,-0.4 -3,-0.3 2,-0.2 0.569 111.4 40.4-121.6 -15.6 20.4 23.8 45.8 31 74 G a < - 0 0 16 -4,-2.4 -19,-0.3 -5,-0.2 68,-0.0 -0.635 69.9-129.8-123.0-179.2 16.7 24.6 46.4 32 75 G V E -f 12 0B 72 -21,-1.8 -19,-2.9 -2,-0.2 -17,-0.2 -0.687 41.9 -71.0-123.7 179.3 14.6 27.4 48.0 33 76 G P E -f 13 0B 109 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.414 51.9-104.7 -73.6 151.4 11.8 27.3 50.5 34 77 G T - 0 0 35 -21,-0.7 3,-0.1 -22,-0.1 -23,-0.0 -0.329 34.6-108.0 -66.1 152.7 8.3 26.0 49.7 35 78 G D - 0 0 88 1,-0.2 -1,-0.1 -2,-0.0 96,-0.1 -0.776 24.6-155.9 -81.3 120.3 5.5 28.5 49.1 36 79 G P S S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.891 89.0 38.2 -65.1 -40.4 3.2 28.3 52.2 37 80 G N S S- 0 0 135 -3,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.588 80.8-178.8-114.2 69.6 0.2 29.6 50.3 38 81 G P - 0 0 92 0, 0.0 2,-0.5 0, 0.0 -4,-0.0 -0.531 15.3-145.6 -73.7 124.5 0.4 28.1 46.8 39 82 G Q + 0 0 174 -2,-0.3 91,-0.4 2,-0.0 2,-0.4 -0.792 22.5 170.0 -95.7 127.9 -2.3 29.0 44.4 40 83 G E - 0 0 93 -2,-0.5 2,-0.4 89,-0.1 89,-0.2 -0.998 10.6-169.5-130.6 136.1 -3.7 26.6 41.7 41 84 G I E -B 128 0A 108 87,-1.0 87,-1.1 -2,-0.4 -2,-0.0 -0.987 24.7-111.0-131.9 137.9 -6.8 27.4 39.7 42 85 G H E -B 127 0A 81 -2,-0.4 2,-0.8 85,-0.2 85,-0.3 -0.194 24.6-130.6 -55.9 147.3 -8.9 25.3 37.3 43 86 G L > - 0 0 30 83,-3.0 3,-0.8 3,-0.1 83,-0.4 -0.818 28.4-139.1-103.5 91.3 -8.8 26.1 33.6 44 87 G E T 3 S- 0 0 134 -2,-0.8 81,-0.0 1,-0.2 83,-0.0 -0.144 77.3 -0.2 -51.0 137.7 -12.5 26.3 32.7 45 88 G N T 3 S+ 0 0 162 1,-0.2 2,-0.4 81,-0.0 -1,-0.2 0.889 99.9 136.4 47.8 51.3 -13.5 24.8 29.3 46 89 G V < - 0 0 35 -3,-0.8 2,-0.4 78,-0.4 80,-0.3 -0.991 35.0-172.2-131.5 138.5 -9.9 23.7 28.5 47 90 G T - 0 0 75 -2,-0.4 2,-0.3 78,-0.1 77,-0.2 -0.988 13.2-176.9-131.2 121.6 -8.5 20.5 27.1 48 91 G E E -H 123 0C 30 75,-1.8 75,-1.7 -2,-0.4 2,-0.5 -0.868 23.4-126.2-121.1 150.8 -4.7 19.9 26.9 49 92 G N E -H 122 0C 98 -2,-0.3 2,-0.3 73,-0.2 71,-0.0 -0.839 27.1-173.2 -95.5 129.4 -2.4 17.2 25.5 50 93 G F E -H 121 0C 7 71,-1.7 71,-2.2 -2,-0.5 2,-0.2 -0.836 12.4-169.6-114.9 153.6 0.1 15.7 27.9 51 94 G N E > -H 120 0C 62 -2,-0.3 3,-2.4 69,-0.2 69,-0.2 -0.653 5.8-177.3-144.3 91.8 2.9 13.2 27.1 52 95 G M T 3 S+ 0 0 1 67,-2.7 3,-0.4 1,-0.3 68,-0.1 0.668 84.7 62.4 -59.8 -17.3 4.6 11.8 30.2 53 96 G W T 3 S+ 0 0 18 1,-0.3 -1,-0.3 66,-0.2 2,-0.2 0.524 110.1 37.5 -89.9 -4.9 7.0 9.9 27.9 54 97 G K S < S+ 0 0 104 -3,-2.4 2,-0.4 4,-0.0 -1,-0.3 -0.641 80.8 131.8-142.6 77.1 8.4 13.1 26.4 55 98 G N >> - 0 0 13 -3,-0.4 3,-3.0 -2,-0.2 4,-0.6 -0.872 45.4-154.6-143.7 101.4 8.7 15.6 29.3 56 99 G N H 3> S+ 0 0 51 -2,-0.4 4,-2.4 1,-0.3 3,-0.2 0.680 90.2 74.7 -55.9 -22.9 11.8 17.5 29.9 57 100 G M H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.817 93.6 55.8 -53.8 -34.1 11.0 17.9 33.6 58 101 G V H <> S+ 0 0 0 -3,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.897 106.2 47.8 -68.1 -42.1 11.9 14.2 33.9 59 102 G E H X S+ 0 0 54 -4,-0.6 4,-1.6 -3,-0.2 -2,-0.2 0.889 111.6 52.1 -67.6 -38.0 15.4 14.8 32.4 60 103 G Q H X S+ 0 0 24 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.911 109.0 48.0 -64.3 -42.7 15.8 17.8 34.7 61 104 G M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.2 0.893 109.4 55.0 -65.8 -37.1 14.9 15.8 37.9 62 105 G Q H X S+ 0 0 22 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.888 104.5 53.1 -59.0 -42.0 17.3 13.1 36.8 63 106 G E H X S+ 0 0 125 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.802 111.2 47.2 -66.3 -31.2 20.2 15.6 36.5 64 107 G D H X S+ 0 0 46 -4,-1.3 4,-3.1 -3,-0.2 -2,-0.2 0.904 111.5 48.7 -75.3 -45.3 19.5 16.7 40.1 65 108 G V H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.927 111.8 49.6 -65.7 -43.0 19.3 13.3 41.5 66 109 G I H X S+ 0 0 50 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.912 112.7 49.1 -54.5 -40.9 22.5 12.3 39.8 67 110 G S H X S+ 0 0 54 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.904 109.6 51.8 -69.0 -41.6 24.0 15.5 41.3 68 111 G L H X S+ 0 0 6 -4,-3.1 4,-1.8 2,-0.2 5,-0.3 0.971 110.8 46.3 -54.9 -57.4 22.8 14.7 44.7 69 112 G W H X S+ 0 0 6 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.855 112.0 51.0 -61.2 -37.3 24.3 11.2 44.8 70 113 G D H < S+ 0 0 79 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.929 115.9 41.4 -63.4 -45.5 27.6 12.3 43.4 71 114 G Q H < S+ 0 0 68 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.756 129.5 29.7 -69.1 -24.1 27.8 15.0 46.1 72 115 G S H < S+ 0 0 10 -4,-1.8 2,-0.9 1,-0.2 -3,-0.2 0.732 106.0 63.5-116.2 -31.8 26.5 12.7 48.8 73 116 G L < + 0 0 11 -4,-3.3 -1,-0.2 -5,-0.3 -4,-0.0 -0.684 61.9 179.8-104.5 81.2 27.4 9.1 48.2 74 117 G Q - 0 0 72 -2,-0.9 2,-0.1 16,-0.2 -4,-0.1 -0.712 12.1-156.4 -83.6 109.9 31.1 9.0 48.4 75 118 G P - 0 0 10 0, 0.0 12,-0.4 0, 0.0 215,-0.2 -0.465 23.5-125.4 -76.5 158.1 32.4 5.4 47.8 76 119 G b S S+ 0 0 24 213,-1.6 11,-1.7 1,-0.2 2,-0.4 0.915 99.0 17.9 -65.2 -44.7 35.8 4.2 49.0 77 120 G V E -IJ 86 289D 37 212,-1.7 212,-2.9 9,-0.2 2,-0.4 -0.983 64.5-165.3-128.6 142.2 36.6 3.2 45.5 78 121 G K E -IJ 85 288D 81 7,-2.7 7,-2.4 -2,-0.4 2,-0.6 -0.986 10.2-161.3-123.6 122.3 35.1 4.1 42.1 79 122 G L E +IJ 84 287D 59 208,-2.9 208,-2.5 -2,-0.4 2,-0.3 -0.899 24.0 148.3-104.9 120.4 36.0 2.0 39.1 80 123 G T E > -I 83 0D 40 3,-1.7 3,-2.8 -2,-0.6 206,-0.1 -0.984 64.5 -27.9-145.1 149.5 35.5 3.3 35.6 81 124 G G T 3 S- 0 0 52 -2,-0.3 342,-0.1 1,-0.3 343,-0.1 -0.177 121.0 -38.5 44.1-130.6 37.4 2.7 32.4 82 198 G G T 3 S+ 0 0 87 -3,-0.1 2,-0.4 341,-0.1 -1,-0.3 0.073 115.3 111.1-105.4 19.8 40.9 1.8 33.4 83 199 G S E < -I 80 0D 46 -3,-2.8 -3,-1.7 2,-0.0 2,-0.5 -0.795 51.3-161.2 -99.3 138.4 40.8 4.4 36.1 84 200 G V E -I 79 0D 98 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.951 9.2-169.1-120.4 110.1 40.8 3.6 39.8 85 201 G I E -I 78 0D 83 -7,-2.4 -7,-2.7 -2,-0.5 2,-0.5 -0.885 3.6-174.7-106.5 120.3 39.6 6.4 42.0 86 202 G K E +I 77 0D 168 -2,-0.6 -9,-0.2 -9,-0.2 2,-0.1 -0.949 15.5 149.0-120.3 117.6 40.1 6.1 45.8 87 203 G Q - 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