==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 17-AUG-11 3TGR . COMPND 2 MOLECULE: HIV-1 CLADE C1086 GP120; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.D.KWON,P.D.KWONG . 692 6 14 12 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 26.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 87 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 0 2 0 2 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 . 5 6 14 7 3 0 2 0 0 0 2 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 4 0 0 0 0 0 0 0 0 2 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 A V 0 0 126 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 60.9 17.1 -12.8 23.1 2 45 A W + 0 0 131 345,-0.0 2,-0.2 343,-0.0 345,-0.1 -0.989 360.0 144.9-156.9 154.3 13.5 -11.6 23.3 3 46 A K - 0 0 101 343,-0.4 2,-0.6 -2,-0.3 343,-0.4 -0.773 51.1 -60.1-162.3-155.6 11.4 -8.4 23.3 4 47 A E + 0 0 137 -2,-0.2 2,-0.3 341,-0.2 341,-0.2 -0.920 56.4 156.4-118.5 108.0 8.1 -6.8 22.3 5 48 A A - 0 0 26 339,-0.7 2,-0.4 -2,-0.6 -2,-0.0 -0.972 36.4-125.6-135.5 146.8 7.4 -6.7 18.6 6 49 A K + 0 0 182 -2,-0.3 2,-0.3 50,-0.0 -2,-0.0 -0.770 37.3 157.7 -95.2 131.4 4.3 -6.4 16.4 7 50 A T - 0 0 20 -2,-0.4 2,-0.7 97,-0.0 337,-0.1 -0.963 45.3 -97.4-147.5 161.0 3.6 -9.0 13.7 8 51 A T - 0 0 114 -2,-0.3 2,-0.1 52,-0.0 49,-0.0 -0.735 42.2-155.0 -88.8 114.8 0.6 -10.4 11.7 9 52 A L - 0 0 19 -2,-0.7 2,-0.3 94,-0.1 94,-0.2 -0.317 3.3-146.4 -84.4 165.6 -0.7 -13.6 13.3 10 53 A F E -A 102 0A 78 92,-2.0 92,-3.6 -2,-0.1 2,-0.2 -0.931 15.3-127.3-128.2 156.1 -2.7 -16.5 11.7 11 54 A a E -A 101 0A 3 19,-0.5 21,-2.3 -2,-0.3 2,-0.3 -0.666 16.3-166.7-105.3 158.8 -5.4 -18.7 13.2 12 55 A A E +Ab 100 32A 3 88,-2.6 88,-1.8 19,-0.3 2,-0.3 -0.937 13.8 162.3-135.8 160.0 -5.8 -22.4 13.5 13 56 A S E - b 0 33A 7 19,-1.7 21,-1.0 -2,-0.3 86,-0.1 -0.990 49.9-111.4-168.2 165.7 -8.8 -24.6 14.4 14 57 A D + 0 0 81 84,-0.4 85,-0.1 -2,-0.3 10,-0.1 -0.082 61.6 155.5 -94.0 31.5 -10.5 -28.0 14.4 15 58 A A - 0 0 22 83,-0.1 2,-0.5 8,-0.1 -2,-0.1 -0.228 39.2-130.1 -58.5 148.7 -13.0 -26.7 11.9 16 59 A K > - 0 0 86 1,-0.1 3,-1.1 2,-0.0 12,-0.2 -0.913 4.9-150.0-112.0 128.7 -14.7 -29.3 9.7 17 60 A A T 3 S+ 0 0 61 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.562 98.1 53.1 -72.4 -9.0 -14.9 -28.8 5.9 18 61 A Y T 3 S+ 0 0 62 2,-0.0 2,-0.3 6,-0.0 -1,-0.3 0.561 87.4 98.1-100.5 -12.8 -18.2 -30.8 5.7 19 62 A E < - 0 0 74 -3,-1.1 -4,-0.0 1,-0.1 -3,-0.0 -0.576 60.6-153.8 -81.9 138.6 -20.0 -28.7 8.4 20 63 A K + 0 0 114 -2,-0.3 73,-0.5 4,-0.1 2,-0.2 0.333 56.5 120.4 -95.5 6.6 -22.4 -26.0 7.2 21 64 A E >> - 0 0 39 1,-0.1 4,-2.5 71,-0.1 3,-0.8 -0.542 69.2-129.8 -68.2 136.0 -22.0 -23.9 10.4 22 65 A V H 3> S+ 0 0 12 71,-2.2 4,-2.9 1,-0.3 5,-0.3 0.810 106.3 58.7 -61.4 -33.9 -20.6 -20.5 9.4 23 66 A H H 3> S+ 0 0 4 70,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.852 112.3 41.9 -64.2 -33.9 -17.8 -20.6 12.0 24 67 A N H <> S+ 0 0 10 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.888 112.9 53.0 -76.2 -43.0 -16.6 -23.8 10.3 25 68 A V H X S+ 0 0 70 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.946 114.7 41.1 -56.8 -51.9 -17.1 -22.4 6.8 26 69 A W H X S+ 0 0 7 -4,-2.9 4,-1.2 1,-0.2 3,-0.5 0.922 116.1 50.6 -61.7 -46.1 -15.1 -19.3 7.6 27 70 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.3 3,-0.5 0.906 102.9 56.3 -62.7 -47.6 -12.4 -21.2 9.5 28 71 A T H < S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 117.8 35.7 -59.0 -28.0 -11.7 -23.9 7.0 29 72 A H H < S+ 0 0 107 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.586 127.2 36.6-101.0 -13.7 -10.9 -21.3 4.3 30 73 A A H < S+ 0 0 45 -4,-1.2 -19,-0.5 -3,-0.5 2,-0.3 0.427 112.6 57.7-117.7 -3.5 -9.2 -18.7 6.6 31 74 A a S < S- 0 0 18 -4,-2.5 -19,-0.3 -5,-0.2 3,-0.0 -0.869 72.3-120.3-130.4 161.5 -7.4 -21.0 9.1 32 75 A V E -b 12 0A 75 -21,-2.3 -19,-1.7 -2,-0.3 3,-0.1 -0.727 43.9 -97.6 -92.8 145.8 -4.8 -23.7 9.3 33 76 A P E -b 13 0A 100 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.316 55.4 -87.0 -56.0 149.3 -5.7 -27.1 10.7 34 77 A T - 0 0 27 -21,-1.0 3,-0.1 1,-0.1 -23,-0.0 -0.133 30.0-130.8 -55.1 159.4 -4.6 -27.4 14.4 35 78 A D - 0 0 87 1,-0.2 -1,-0.1 -3,-0.1 0, 0.0 0.855 34.8-152.4 -51.0 -46.5 -1.0 -28.6 14.9 36 79 A P + 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.918 63.0 29.0 -99.8 17.2 -2.7 -30.3 16.7 37 80 A N + 0 0 56 -3,-0.1 2,-0.1 613,-0.0 -3,-0.0 -0.587 61.8 152.5-142.3 77.3 0.1 -31.0 19.3 38 81 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 91,-0.0 -0.189 39.4-116.9 -80.1-172.2 2.8 -28.5 19.9 39 82 A Q - 0 0 140 -2,-0.1 2,-0.6 89,-0.0 91,-0.1 -0.976 12.8-111.7-135.6 149.2 4.6 -28.3 23.3 40 83 A E - 0 0 108 -2,-0.3 2,-1.3 89,-0.1 89,-0.2 -0.664 22.9-152.6 -77.6 116.4 4.9 -25.8 26.1 41 84 A M - 0 0 110 87,-2.9 87,-0.3 -2,-0.6 -1,-0.1 -0.731 21.8-154.4 -89.7 90.0 8.5 -24.6 26.3 42 85 A V - 0 0 101 -2,-1.3 2,-0.4 85,-0.2 85,-0.2 -0.303 7.1-156.2 -71.1 149.4 8.6 -23.7 30.0 43 86 A L - 0 0 70 83,-1.2 83,-0.4 3,-0.1 2,-0.3 -0.965 4.1-158.4-131.2 143.7 11.1 -21.1 31.3 44 87 A A S S+ 0 0 75 -2,-0.4 3,-0.1 1,-0.2 81,-0.1 -0.892 70.6 15.7-122.5 151.6 12.6 -20.5 34.8 45 88 A N S S+ 0 0 166 -2,-0.3 2,-0.4 79,-0.3 -1,-0.2 0.768 95.3 120.2 61.4 27.3 14.2 -17.5 36.4 46 89 A V - 0 0 31 78,-0.4 2,-0.4 -3,-0.2 80,-0.4 -0.974 41.5-171.3-124.9 138.7 12.6 -15.2 33.8 47 90 A T + 0 0 75 -2,-0.4 2,-0.3 78,-0.1 77,-0.2 -0.992 5.8 178.5-133.9 128.4 10.2 -12.4 34.3 48 91 A E E -D 123 0B 36 75,-1.6 2,-0.7 -2,-0.4 75,-0.6 -0.887 27.6-120.2-127.7 158.6 8.3 -10.4 31.7 49 92 A N E -D 122 0B 88 -2,-0.3 2,-0.3 73,-0.2 -2,-0.0 -0.866 27.6-170.3-104.1 110.5 5.7 -7.5 31.7 50 93 A F E -D 121 0B 6 71,-1.4 71,-1.0 -2,-0.7 2,-0.3 -0.685 8.4-169.1 -93.3 149.5 2.3 -8.3 30.1 51 94 A N E > -D 120 0B 70 -2,-0.3 3,-1.7 69,-0.2 69,-0.2 -0.746 6.7-175.0-139.5 92.2 -0.3 -5.6 29.4 52 95 A M T 3 S+ 0 0 3 67,-2.7 3,-0.3 -2,-0.3 68,-0.1 0.659 85.6 59.9 -58.2 -16.2 -3.7 -7.1 28.5 53 96 A W T 3 S+ 0 0 11 66,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.640 108.7 39.6 -93.0 -17.5 -4.9 -3.5 27.8 54 97 A K S < S+ 0 0 151 -3,-1.7 2,-0.4 4,-0.0 -1,-0.3 -0.714 83.1 133.8-129.8 82.8 -2.4 -2.6 25.2 55 98 A N >> - 0 0 19 -3,-0.3 3,-0.9 -2,-0.3 4,-0.9 -0.980 46.8-154.5-140.4 121.5 -2.0 -5.8 23.0 56 99 A D H 3> S+ 0 0 50 -2,-0.4 4,-2.2 1,-0.2 3,-0.3 0.862 92.1 71.6 -61.5 -38.3 -2.0 -6.1 19.2 57 100 A M H 3> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.836 96.2 53.5 -46.3 -39.0 -3.2 -9.7 19.4 58 101 A V H <> S+ 0 0 0 -3,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.942 106.8 48.2 -64.9 -50.5 -6.6 -8.3 20.5 59 102 A E H X S+ 0 0 59 -4,-0.9 4,-2.0 -3,-0.3 -1,-0.2 0.833 112.0 53.5 -58.3 -31.9 -7.0 -6.0 17.6 60 103 A Q H X S+ 0 0 27 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.914 110.4 43.3 -70.8 -44.8 -6.0 -8.9 15.4 61 104 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.862 110.9 59.6 -65.8 -34.7 -8.7 -11.2 16.8 62 105 A H H X S+ 0 0 18 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.948 105.7 45.5 -56.7 -52.6 -11.1 -8.2 16.5 63 106 A E H X S+ 0 0 105 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.857 112.0 52.4 -62.5 -38.3 -10.6 -7.9 12.8 64 107 A D H X S+ 0 0 42 -4,-1.6 4,-3.9 2,-0.2 -1,-0.2 0.947 109.8 46.6 -63.8 -50.6 -11.0 -11.6 12.2 65 108 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.895 112.4 51.8 -58.9 -42.1 -14.3 -11.9 14.1 66 109 A I H X S+ 0 0 33 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.935 113.5 43.9 -57.7 -48.5 -15.5 -8.9 12.3 67 110 A S H X S+ 0 0 50 -4,-2.5 4,-1.7 2,-0.2 5,-0.3 0.935 111.3 55.0 -59.5 -48.0 -14.6 -10.6 9.0 68 111 A L H X S+ 0 0 1 -4,-3.9 4,-1.6 1,-0.3 -2,-0.2 0.884 111.1 44.5 -52.7 -43.6 -16.1 -13.8 10.3 69 112 A W H X S+ 0 0 4 -4,-2.7 4,-0.7 1,-0.2 -1,-0.3 0.771 105.0 63.6 -73.5 -27.1 -19.4 -12.0 10.9 70 113 A D H < S+ 0 0 103 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.898 112.9 33.4 -66.2 -40.8 -19.2 -10.2 7.5 71 114 A E H < S+ 0 0 87 -4,-1.7 3,-0.3 -5,-0.1 -1,-0.2 0.821 129.3 37.8 -80.1 -34.7 -19.4 -13.5 5.6 72 115 A S H < S+ 0 0 16 -4,-1.6 2,-1.3 -5,-0.3 -3,-0.2 0.979 117.9 36.4 -83.9 -72.1 -21.6 -15.3 8.2 73 116 A L S < S+ 0 0 15 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.649 70.6 177.0 -91.6 83.9 -24.2 -12.9 9.6 74 117 A K - 0 0 86 -2,-1.3 2,-0.1 -3,-0.3 -4,-0.1 -0.773 25.0-132.4 -87.6 122.8 -25.2 -10.6 6.7 75 118 A P - 0 0 9 0, 0.0 217,-0.2 0, 0.0 3,-0.2 -0.407 8.5-131.0 -74.0 150.3 -27.9 -8.1 7.7 76 119 A b S S+ 0 0 30 215,-2.1 11,-1.6 1,-0.3 2,-0.4 0.956 98.6 14.7 -60.2 -50.4 -31.0 -7.6 5.5 77 120 A V E -EF 86 291C 41 214,-1.6 214,-3.4 9,-0.2 2,-0.5 -0.988 65.7-164.5-129.4 137.8 -30.3 -3.9 5.8 78 121 A K E -EF 85 290C 35 7,-2.2 7,-1.0 -2,-0.4 2,-0.7 -0.875 11.0-166.8-123.1 96.9 -27.2 -2.1 7.0 79 122 A L E +EF 84 289C 69 210,-1.8 210,-2.6 -2,-0.5 2,-0.5 -0.750 12.4 170.4 -91.8 113.0 -27.9 1.6 7.8 80 123 A T E > -E 83 0C 47 3,-2.6 3,-1.3 -2,-0.7 208,-0.1 -0.892 66.2 -37.8-126.2 102.1 -24.8 3.7 8.3 81 124 A G T 3 S- 0 0 84 -2,-0.5 2,-0.5 1,-0.3 -1,-0.1 0.951 122.0 -36.3 51.4 68.1 -25.2 7.5 8.6 82 198 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 -0.048 121.3 96.8 83.9 -35.3 -27.9 8.2 6.1 83 199 A S E < -E 80 0C 73 -3,-1.3 -3,-2.6 -2,-0.5 2,-0.4 -0.695 55.9-163.5 -92.1 141.4 -26.8 5.6 3.6 84 200 A A E -E 79 0C 61 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.950 7.7-160.7-126.5 145.2 -28.3 2.1 3.5 85 201 A I E -E 78 0C 84 -7,-1.0 -7,-2.2 -2,-0.4 2,-0.3 -0.989 7.1-163.0-125.0 129.3 -27.3 -1.2 2.0 86 202 A T E +E 77 0C 110 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.789 21.0 146.8-105.8 153.1 -29.6 -4.1 1.2 87 203 A Q - 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