==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/INHIBITOR 28-NOV-12 4I53 . COMPND 2 MOLECULE: HIV-1 GLYCOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR M.LE-KHAC,W.A.HENDRICKSON . 671 6 14 12 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 29.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 8 1.2 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 . 82 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 2 2 0 0 0 0 0 0 0 2 2 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 . 9 0 15 12 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 0 6 0 0 0 0 0 0 0 0 1 1 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 49 A K 0 0 189 0, 0.0 2,-0.3 0, 0.0 51,-0.0 0.000 360.0 360.0 360.0-175.7 4.6 -7.1 16.2 2 50 A T - 0 0 25 335,-0.0 2,-0.4 100,-0.0 96,-0.0 -0.921 360.0 -90.6-169.2-170.9 3.8 -9.7 13.6 3 51 A T - 0 0 114 -2,-0.3 0, 0.0 52,-0.0 0, 0.0 -0.843 44.5-159.8-123.1 94.9 1.0 -11.2 11.5 4 52 A L - 0 0 12 -2,-0.4 2,-0.3 94,-0.1 94,-0.2 -0.251 0.3-150.9 -67.6 156.6 -0.5 -14.1 13.4 5 53 A F E -A 97 0A 72 92,-1.9 92,-3.3 21,-0.0 2,-0.3 -0.854 13.4-121.8-122.4 164.3 -2.5 -16.8 11.8 6 54 A a E -A 96 0A 4 19,-0.4 21,-3.0 -2,-0.3 2,-0.3 -0.765 17.6-165.7-109.6 153.6 -5.4 -18.9 13.2 7 55 A A E +Ab 95 27A 3 88,-2.3 88,-2.7 -2,-0.3 2,-0.3 -0.997 17.0 156.3-135.5 142.0 -5.8 -22.6 13.7 8 56 A S E - b 0 28A 6 19,-1.8 21,-1.2 -2,-0.3 86,-0.1 -0.947 52.0-110.1-153.8 171.7 -9.0 -24.6 14.4 9 57 A D + 0 0 90 84,-0.4 85,-0.1 -2,-0.3 10,-0.1 -0.050 57.0 162.4 -94.4 28.8 -10.7 -28.0 14.2 10 58 A A - 0 0 23 17,-0.1 2,-0.5 83,-0.1 -2,-0.1 -0.255 35.4-134.7 -55.5 128.6 -13.1 -26.6 11.6 11 59 A K > - 0 0 76 1,-0.1 3,-1.1 2,-0.0 12,-0.2 -0.752 2.8-150.8 -86.4 129.3 -14.8 -29.3 9.7 12 60 A A T 3 S+ 0 0 73 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.706 99.3 55.5 -71.5 -19.7 -14.9 -28.7 5.9 13 61 A Y T 3 S+ 0 0 85 -3,-0.0 2,-0.4 2,-0.0 -1,-0.3 0.450 87.3 106.6 -89.2 -2.5 -18.2 -30.6 5.7 14 62 A E < - 0 0 67 -3,-1.1 -4,-0.0 1,-0.1 0, 0.0 -0.635 52.3-166.0 -84.6 132.1 -19.8 -28.4 8.3 15 63 A K + 0 0 165 -2,-0.4 73,-0.3 4,-0.1 5,-0.2 0.748 55.8 115.6 -83.8 -27.3 -22.3 -25.8 7.2 16 64 A E S > S- 0 0 6 1,-0.1 4,-2.0 71,-0.1 3,-0.3 -0.166 74.0-128.0 -44.9 132.8 -22.1 -24.0 10.6 17 65 A V H > S+ 0 0 15 71,-2.9 4,-2.6 1,-0.2 5,-0.2 0.828 104.3 56.6 -66.3 -36.6 -20.7 -20.6 9.6 18 66 A H H > S+ 0 0 2 70,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 111.1 47.0 -57.9 -42.6 -17.7 -20.5 12.1 19 67 A N H > S+ 0 0 13 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.913 110.4 51.5 -63.2 -44.9 -16.6 -23.7 10.5 20 68 A V H X S+ 0 0 59 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.883 114.6 43.2 -62.1 -39.4 -17.1 -22.4 7.0 21 69 A W H X S+ 0 0 7 -4,-2.6 4,-2.1 2,-0.2 3,-0.4 0.928 114.7 47.9 -71.2 -46.5 -15.0 -19.3 7.7 22 70 A A H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.857 103.6 61.8 -66.1 -36.6 -12.2 -21.1 9.7 23 71 A T H < S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 117.7 28.9 -58.1 -37.1 -11.8 -23.8 7.0 24 72 A H H < S+ 0 0 115 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.697 129.3 39.6 -96.6 -22.2 -10.8 -21.1 4.4 25 73 A A H < S+ 0 0 44 -4,-2.1 -19,-0.4 -5,-0.1 2,-0.2 0.630 114.0 49.8-101.5 -17.0 -9.3 -18.5 6.7 26 74 A a S < S- 0 0 18 -4,-2.8 -19,-0.2 -5,-0.2 68,-0.0 -0.628 71.2-119.8-121.7 175.3 -7.4 -20.8 9.2 27 75 A V E -b 7 0A 72 -21,-3.0 -19,-1.8 -2,-0.2 -17,-0.1 -0.833 43.2 -90.8-112.0 151.7 -5.0 -23.7 9.5 28 76 A P E -b 8 0A 107 0, 0.0 -19,-0.2 0, 0.0 -1,-0.0 -0.426 48.7-117.1 -60.4 131.0 -5.7 -27.1 11.1 29 77 A T - 0 0 26 -21,-1.2 -21,-0.1 -2,-0.1 -23,-0.0 -0.120 32.0 -96.5 -61.2 165.7 -4.6 -27.0 14.8 30 78 A D - 0 0 87 1,-0.1 -1,-0.1 -23,-0.1 96,-0.0 -0.793 25.2-141.1 -88.0 129.0 -1.8 -29.2 16.0 31 79 A P S S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 605,-0.1 0.765 95.9 26.5 -60.5 -30.1 -3.2 -32.4 17.6 32 80 A N S S- 0 0 42 603,-0.1 2,-0.2 605,-0.0 481,-0.0 -0.659 78.7-171.0-138.2 80.2 -0.6 -32.3 20.4 33 81 A P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 91,-0.0 -0.526 7.0-158.8 -74.4 134.4 0.7 -28.8 21.1 34 82 A Q - 0 0 151 -2,-0.2 91,-0.5 2,-0.0 2,-0.3 -0.833 2.6-148.4-110.8 150.1 3.7 -28.6 23.4 35 83 A E - 0 0 81 -2,-0.3 2,-0.7 89,-0.1 89,-0.2 -0.813 13.7-129.5-111.9 159.3 4.8 -25.6 25.4 36 84 A M E -D 123 0B 104 87,-3.5 87,-0.9 -2,-0.3 88,-0.1 -0.773 24.1-152.1-115.8 89.0 8.3 -24.6 26.4 37 85 A V E -D 122 0B 88 -2,-0.7 2,-0.4 85,-0.2 85,-0.2 -0.133 11.5-159.4 -54.8 147.3 8.5 -23.9 30.1 38 86 A L E -D 121 0B 58 83,-1.7 83,-0.8 3,-0.1 3,-0.3 -0.990 8.0-164.2-141.2 130.0 11.1 -21.4 31.3 39 87 A A S S+ 0 0 80 -2,-0.4 3,-0.1 1,-0.2 81,-0.0 -0.636 74.3 29.7-104.8 166.5 12.8 -20.8 34.7 40 88 A N S S+ 0 0 177 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.630 99.0 112.1 60.4 12.7 14.8 -17.8 35.9 41 89 A V + 0 0 44 -3,-0.3 2,-0.3 78,-0.2 80,-0.3 -0.917 39.5 173.7-117.2 143.0 12.7 -15.7 33.5 42 90 A T - 0 0 71 -2,-0.4 2,-0.3 -3,-0.1 77,-0.2 -0.980 9.1-176.7-142.9 140.0 10.1 -13.1 34.3 43 91 A E E -G 118 0C 82 75,-2.3 75,-2.8 -2,-0.3 2,-0.4 -0.916 24.1-117.8-136.4 159.8 8.4 -11.0 31.7 44 92 A N E -G 117 0C 102 -2,-0.3 2,-0.3 73,-0.2 71,-0.1 -0.871 27.7-167.5-104.0 134.6 5.9 -8.1 31.8 45 93 A F E -G 116 0C 7 71,-2.4 71,-1.9 -2,-0.4 2,-0.2 -0.855 13.7-168.4-117.3 153.3 2.4 -8.4 30.2 46 94 A N E > -G 115 0C 65 -2,-0.3 3,-2.0 69,-0.2 69,-0.2 -0.720 3.7-176.3-141.1 91.8 -0.3 -5.8 29.4 47 95 A M G > S+ 0 0 2 67,-1.5 3,-0.6 1,-0.3 68,-0.1 0.750 87.5 58.2 -55.0 -24.9 -3.6 -7.3 28.5 48 96 A W G 3 S+ 0 0 11 1,-0.3 -1,-0.3 66,-0.1 106,-0.1 0.634 111.1 39.8 -84.6 -14.5 -4.9 -3.8 27.9 49 97 A K G < S+ 0 0 137 -3,-2.0 2,-0.5 4,-0.0 -1,-0.3 -0.426 82.4 133.5-131.1 56.8 -2.2 -3.0 25.3 50 98 A N X> - 0 0 13 -3,-0.6 3,-1.0 1,-0.1 4,-0.7 -0.941 44.7-157.0-115.3 122.7 -2.0 -6.3 23.3 51 99 A D H 3> S+ 0 0 41 -2,-0.5 4,-1.7 1,-0.2 5,-0.2 0.744 90.8 72.4 -68.8 -23.4 -1.9 -6.3 19.5 52 100 A M H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.852 92.7 57.8 -57.1 -34.8 -3.2 -9.9 19.5 53 101 A V H <> S+ 0 0 1 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.920 104.9 48.2 -64.1 -43.9 -6.5 -8.6 20.6 54 102 A E H X S+ 0 0 63 -4,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.838 109.8 52.5 -68.0 -34.0 -6.9 -6.3 17.6 55 103 A Q H X S+ 0 0 37 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.921 112.6 43.8 -67.6 -44.3 -6.0 -9.1 15.2 56 104 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.920 111.0 56.0 -64.4 -43.5 -8.6 -11.4 16.7 57 105 A H H X S+ 0 0 17 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.906 108.4 48.3 -52.5 -46.1 -11.1 -8.5 16.7 58 106 A E H X S+ 0 0 114 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.828 110.5 50.3 -66.1 -35.4 -10.4 -8.1 13.0 59 107 A D H X S+ 0 0 42 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.923 110.0 49.3 -66.3 -47.3 -10.9 -11.8 12.2 60 108 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.863 109.2 54.1 -63.4 -35.2 -14.2 -12.0 14.1 61 109 A I H X S+ 0 0 35 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.919 113.5 40.7 -63.2 -44.1 -15.4 -8.9 12.2 62 110 A S H X S+ 0 0 47 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.842 113.3 55.8 -73.5 -32.2 -14.6 -10.6 8.9 63 111 A L H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.932 113.7 39.6 -61.8 -47.2 -16.0 -13.8 10.2 64 112 A W H X S+ 0 0 5 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.900 111.5 58.7 -67.4 -41.6 -19.3 -12.1 11.1 65 113 A D H < S+ 0 0 106 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.869 115.8 34.9 -55.6 -39.8 -19.2 -10.1 7.8 66 114 A E H < S+ 0 0 69 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.779 127.4 38.9 -83.3 -29.6 -19.1 -13.3 5.8 67 115 A S H < S+ 0 0 9 -4,-1.8 2,-0.9 1,-0.2 -3,-0.2 0.929 111.6 47.4 -91.4 -53.8 -21.4 -15.3 8.2 68 116 A L < - 0 0 12 -4,-2.6 -1,-0.2 -5,-0.2 18,-0.1 -0.789 67.5-171.2-100.2 97.2 -24.1 -13.0 9.4 69 117 A K - 0 0 72 -2,-0.9 2,-0.2 16,-0.4 -4,-0.1 -0.781 11.6-149.2 -90.3 111.0 -25.7 -11.1 6.5 70 118 A P - 0 0 14 0, 0.0 217,-0.3 0, 0.0 3,-0.1 -0.584 15.4-131.9 -76.4 140.4 -28.1 -8.4 7.6 71 119 A b S S+ 0 0 31 215,-1.5 11,-1.5 -2,-0.2 2,-0.3 0.947 93.9 17.8 -52.4 -51.4 -31.0 -7.6 5.3 72 120 A V E -HI 81 286D 39 214,-1.6 214,-2.8 9,-0.2 2,-0.4 -0.925 64.7-165.5-125.1 149.1 -30.2 -3.9 5.7 73 121 A K E -HI 80 285D 51 7,-2.1 7,-2.1 -2,-0.3 2,-0.5 -0.892 12.2-165.9-137.7 108.5 -27.1 -2.1 6.9 74 122 A L E +HI 79 284D 57 210,-2.9 210,-2.3 -2,-0.4 2,-0.3 -0.785 15.7 175.2-104.4 129.0 -27.4 1.6 7.7 75 123 A T E > -H 78 0D 67 3,-2.6 2,-1.1 -2,-0.5 3,-0.7 -0.638 69.4 -61.3-129.5 75.8 -24.5 4.1 8.3 76 124 A G T 3 S- 0 0 77 -2,-0.3 -2,-0.0 1,-0.2 207,-0.0 -0.723 120.6 -11.4 91.1 -94.1 -26.0 7.5 8.8 77 198 A G T 3 S+ 0 0 82 -2,-1.1 2,-0.4 -3,-0.0 -1,-0.2 0.404 120.1 82.6-120.3 -4.2 -27.9 8.4 5.6 78 199 A S E < -H 75 0D 83 -3,-0.7 -3,-2.6 2,-0.0 2,-0.4 -0.863 57.7-165.7-108.6 139.7 -26.7 5.6 3.4 79 200 A A E -H 74 0D 60 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.973 7.7-163.0-129.3 134.9 -28.1 2.1 3.3 80 201 A I E -H 73 0D 98 -7,-2.1 -7,-2.1 -2,-0.4 2,-0.3 -0.958 12.5-171.2-114.2 132.3 -26.9 -1.2 1.9 81 202 A T E +H 72 0D 100 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.800 15.0 143.7-118.5 164.3 -29.3 -4.2 1.4 82 203 A Q - 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