==== 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 4I54 . COMPND 2 MOLECULE: HIV-1 GLYCOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR M.LE-KHAC,W.A.HENDRICKSON . 678 6 14 8 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 65.6 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 . 186 27.4 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 . 2 0.3 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 . 86 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 13.7 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 0 1 3 0 0 0 0 0 0 1 1 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 . 6 4 16 6 4 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 4 2 0 0 0 0 0 2 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 A V 0 0 136 0, 0.0 340,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 115.8 -21.7 19.2 -23.0 2 45 A W E -A 340 0A 96 338,-0.2 2,-0.3 336,-0.0 338,-0.2 -0.943 360.0-167.7-138.1 153.9 -19.6 16.1 -22.3 3 46 A K E -A 339 0A 110 336,-1.6 336,-3.1 -2,-0.3 0, 0.0 -0.984 41.7 -89.1-135.2 148.7 -17.3 13.5 -23.9 4 47 A D E +A 338 0A 107 -2,-0.3 2,-0.3 334,-0.2 334,-0.2 -0.248 59.5 164.1 -44.0 132.0 -15.9 10.2 -22.7 5 48 A A - 0 0 17 332,-1.3 2,-0.5 2,-0.0 332,-0.2 -0.987 35.4-135.9-155.0 154.8 -12.6 10.9 -21.0 6 49 A D + 0 0 113 -2,-0.3 2,-0.3 330,-0.1 333,-0.0 -0.957 32.3 161.2-107.8 132.5 -10.1 9.4 -18.7 7 50 A T - 0 0 24 -2,-0.5 2,-0.4 331,-0.0 330,-0.1 -0.926 48.6 -84.8-140.0 168.6 -8.6 11.4 -15.8 8 51 A T - 0 0 112 -2,-0.3 2,-0.2 1,-0.0 49,-0.0 -0.624 50.5-151.2 -76.5 124.1 -6.8 10.6 -12.6 9 52 A L - 0 0 26 -2,-0.4 2,-0.3 94,-0.1 94,-0.2 -0.490 4.1-144.1 -93.6 163.4 -9.4 9.9 -9.9 10 53 A F E -E 102 0B 87 92,-2.6 92,-2.7 -2,-0.2 2,-0.3 -0.830 15.6-128.4-120.1 165.8 -9.3 10.4 -6.1 11 54 A a E -E 101 0B 7 19,-0.5 21,-1.6 -2,-0.3 2,-0.3 -0.803 11.7-161.6-114.5 157.4 -10.8 8.3 -3.4 12 55 A A E +Ef 100 32B 4 88,-2.1 88,-3.1 -2,-0.3 2,-0.3 -0.997 18.9 160.3-131.9 145.0 -13.0 8.8 -0.3 13 56 A S E - f 0 33B 8 19,-2.1 21,-0.7 -2,-0.3 86,-0.1 -0.915 46.6-122.0-148.8 172.1 -13.5 6.6 2.7 14 57 A D + 0 0 115 84,-0.5 10,-0.1 -2,-0.3 85,-0.1 -0.069 53.1 162.1-110.5 31.9 -14.7 6.4 6.3 15 58 A A - 0 0 26 17,-0.1 2,-0.6 83,-0.1 -2,-0.1 -0.163 38.4-128.6 -51.3 136.5 -11.3 5.1 7.6 16 59 A K > - 0 0 113 1,-0.1 3,-1.3 5,-0.1 12,-0.1 -0.813 7.9-150.8 -92.2 121.6 -10.6 5.5 11.3 17 60 A A T 3 S+ 0 0 87 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.731 95.4 54.3 -59.8 -24.3 -7.2 7.2 11.9 18 61 A H T 3 S+ 0 0 150 -3,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.642 87.3 102.7 -89.1 -14.4 -6.8 5.3 15.2 19 62 A E < - 0 0 63 -3,-1.3 -4,-0.0 1,-0.1 0, 0.0 -0.452 55.6-160.2 -73.9 135.5 -7.2 1.8 13.6 20 63 A T + 0 0 110 -2,-0.2 73,-0.5 4,-0.1 2,-0.3 0.400 55.7 123.2 -91.4 0.1 -4.2 -0.4 12.8 21 64 A E > - 0 0 8 1,-0.1 4,-2.2 -5,-0.1 3,-0.5 -0.498 70.0-129.0 -61.0 125.7 -6.4 -2.4 10.4 22 65 A V H > S+ 0 0 12 71,-2.6 4,-1.9 1,-0.3 -1,-0.1 0.691 103.4 51.7 -61.2 -26.1 -4.4 -2.1 7.2 23 66 A H H > S+ 0 0 3 2,-0.2 4,-2.8 70,-0.2 -1,-0.3 0.911 110.3 50.2 -74.0 -41.2 -7.2 -0.8 4.9 24 67 A N H > S+ 0 0 14 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.932 111.2 48.8 -58.6 -46.7 -8.0 1.9 7.4 25 68 A V H X S+ 0 0 58 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.955 112.4 49.0 -58.1 -49.0 -4.4 3.0 7.5 26 69 A W H >X S+ 0 0 21 -4,-1.9 4,-2.6 1,-0.2 3,-0.6 0.963 114.2 43.3 -53.7 -57.6 -4.2 3.0 3.7 27 70 A A H 3X S+ 0 0 1 -4,-2.8 4,-3.3 1,-0.3 -1,-0.2 0.824 108.6 60.4 -61.1 -36.4 -7.3 5.1 3.2 28 71 A T H 3< S+ 0 0 53 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.883 117.0 31.1 -53.3 -46.7 -6.3 7.4 6.1 29 72 A H H << S+ 0 0 158 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.780 132.1 34.2 -83.0 -29.2 -3.1 8.3 4.2 30 73 A A H < S+ 0 0 51 -4,-2.6 -19,-0.5 -5,-0.2 -3,-0.2 0.608 111.4 45.9-111.2 -14.6 -4.5 8.0 0.7 31 74 A a < - 0 0 19 -4,-3.3 -19,-0.2 -5,-0.2 3,-0.0 -0.609 66.0-129.5-121.9-178.1 -8.2 9.1 0.6 32 75 A V E -f 12 0B 75 -21,-1.6 -19,-2.1 -2,-0.2 -17,-0.1 -0.793 43.7 -72.1-125.3 169.8 -10.4 11.9 2.0 33 76 A P E -f 13 0B 109 0, 0.0 -19,-0.2 0, 0.0 -1,-0.1 -0.247 53.8-103.6 -61.4 152.7 -13.6 11.9 4.0 34 77 A T - 0 0 32 -21,-0.7 -21,-0.0 -22,-0.1 -23,-0.0 -0.393 35.7-106.6 -64.6 151.6 -16.9 10.9 2.3 35 78 A D - 0 0 69 1,-0.1 -1,-0.1 -2,-0.1 96,-0.0 -0.791 25.2-154.4 -81.8 115.0 -19.3 13.6 1.3 36 79 A P S S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.619 90.8 40.5 -69.2 -15.4 -22.1 13.3 3.9 37 80 A N S S+ 0 0 134 2,-0.0 -2,-0.0 -3,-0.0 0, 0.0 -0.500 79.0 178.5-130.3 66.5 -24.5 14.9 1.4 38 81 A P - 0 0 90 0, 0.0 2,-0.4 0, 0.0 91,-0.0 -0.252 18.3-142.5 -66.4 159.9 -23.7 13.5 -2.0 39 82 A Q - 0 0 100 2,-0.0 2,-0.3 0, 0.0 91,-0.1 -0.865 12.9-168.1-137.1 103.3 -25.9 14.7 -4.9 40 83 A E - 0 0 81 -2,-0.4 2,-0.5 89,-0.1 89,-0.2 -0.627 9.3-157.0 -84.5 141.4 -27.1 12.6 -7.7 41 84 A I E -B 128 0A 96 87,-2.3 87,-2.6 -2,-0.3 2,-0.3 -0.981 8.1-141.8-125.2 123.4 -28.7 14.3 -10.7 42 85 A H E -B 127 0A 123 -2,-0.5 2,-0.7 85,-0.2 85,-0.2 -0.616 10.9-143.7 -87.0 139.9 -31.0 12.5 -13.0 43 86 A L E > -B 126 0A 36 83,-2.0 3,-1.1 -2,-0.3 83,-0.5 -0.875 12.1-145.1-111.9 105.1 -30.8 13.3 -16.7 44 87 A E T 3 S+ 0 0 185 -2,-0.7 3,-0.1 1,-0.2 81,-0.1 -0.414 76.8 0.9 -72.1 139.5 -34.1 13.2 -18.6 45 88 A N T 3 S+ 0 0 173 1,-0.2 2,-0.6 -2,-0.1 -1,-0.2 0.630 96.2 129.4 61.9 18.1 -34.2 12.0 -22.2 46 89 A V < - 0 0 34 -3,-1.1 80,-0.5 78,-0.2 2,-0.4 -0.912 38.7-167.6-112.6 120.2 -30.5 11.2 -22.4 47 90 A T - 0 0 81 -2,-0.6 2,-0.4 78,-0.1 77,-0.2 -0.838 11.2-171.7 -92.3 133.3 -29.2 7.9 -23.6 48 91 A E E -H 123 0C 30 75,-1.5 75,-1.8 -2,-0.4 2,-0.4 -0.980 19.6-126.8-129.2 142.0 -25.5 7.2 -22.9 49 92 A N E -H 122 0C 101 -2,-0.4 2,-0.3 73,-0.2 71,-0.0 -0.726 26.9-169.1 -89.8 134.6 -23.3 4.3 -24.0 50 93 A F E -H 121 0C 10 71,-3.1 71,-1.5 -2,-0.4 2,-0.2 -0.877 15.4-171.7-121.1 153.8 -21.3 2.3 -21.5 51 94 A N E > -H 120 0C 70 -2,-0.3 3,-2.0 69,-0.2 69,-0.2 -0.591 5.3-179.4-146.9 87.2 -18.5 -0.3 -21.7 52 95 A M T 3 S+ 0 0 1 67,-2.5 3,-0.3 1,-0.3 68,-0.1 0.709 84.8 60.1 -53.4 -26.0 -17.6 -2.1 -18.5 53 96 A W T 3 S+ 0 0 16 1,-0.3 2,-0.3 66,-0.2 -1,-0.3 0.651 110.6 39.3 -82.3 -16.3 -14.9 -4.1 -20.4 54 97 A K S < S+ 0 0 146 -3,-2.0 2,-0.4 4,-0.0 -1,-0.3 -0.752 80.8 132.5-136.2 86.2 -13.0 -0.9 -21.4 55 98 A N >> - 0 0 16 -2,-0.3 3,-1.4 -3,-0.3 4,-0.7 -0.965 46.1-153.9-147.0 111.2 -13.1 1.4 -18.4 56 99 A N H 3> S+ 0 0 49 -2,-0.4 4,-2.2 1,-0.3 5,-0.2 0.741 92.8 72.6 -65.9 -22.2 -10.1 3.2 -17.1 57 100 A M H 3> S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.895 94.1 55.8 -54.3 -39.3 -11.7 3.3 -13.6 58 101 A V H <> S+ 0 0 1 -3,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.887 106.3 48.4 -64.0 -39.0 -11.0 -0.4 -13.4 59 102 A E H X S+ 0 0 52 -4,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.868 111.0 51.8 -70.6 -33.4 -7.3 0.2 -14.1 60 103 A Q H X S+ 0 0 24 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.899 108.6 48.4 -70.3 -40.2 -7.2 2.9 -11.4 61 104 A M H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.929 109.9 53.9 -66.2 -40.4 -8.8 0.8 -8.7 62 105 A Q H X S+ 0 0 20 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.913 106.1 52.1 -57.9 -44.3 -6.4 -2.0 -9.5 63 106 A E H X S+ 0 0 121 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.943 110.6 49.2 -56.8 -48.2 -3.5 0.3 -9.0 64 107 A D H X S+ 0 0 44 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.920 111.9 46.6 -55.1 -50.4 -4.9 1.3 -5.6 65 108 A V H X S+ 0 0 4 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.886 110.9 52.0 -68.3 -33.2 -5.3 -2.3 -4.5 66 109 A I H X S+ 0 0 60 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.933 113.4 46.2 -63.9 -40.9 -1.9 -3.3 -5.7 67 110 A S H X S+ 0 0 42 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.855 111.4 50.5 -69.9 -38.2 -0.5 -0.4 -3.7 68 111 A L H >X S+ 0 0 5 -4,-2.8 3,-0.9 1,-0.2 4,-0.9 0.979 115.5 43.1 -60.6 -53.9 -2.6 -1.2 -0.6 69 112 A W H 3X S+ 0 0 6 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.817 109.1 57.4 -61.8 -34.5 -1.4 -4.8 -0.7 70 113 A D H 3< S+ 0 0 89 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.767 114.5 38.5 -66.9 -22.2 2.2 -3.9 -1.4 71 114 A Q H << S+ 0 0 112 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.498 127.1 30.8-107.4 -9.1 2.4 -1.7 1.7 72 115 A S H < S+ 0 0 20 -4,-0.9 2,-0.4 -3,-0.3 -3,-0.2 0.664 115.7 46.1-125.7 -28.8 0.4 -3.9 4.1 73 116 A L < + 0 0 10 -4,-2.0 -1,-0.1 -5,-0.2 -2,-0.1 -0.621 67.8 171.1-121.5 73.3 0.8 -7.6 3.2 74 117 A Q - 0 0 76 -2,-0.4 -4,-0.1 16,-0.2 -3,-0.0 -0.682 25.8-136.4 -86.1 126.4 4.5 -8.1 2.7 75 118 A P - 0 0 0 0, 0.0 209,-0.2 0, 0.0 3,-0.2 -0.280 14.6-124.7 -71.9 168.7 5.5 -11.7 2.3 76 119 A b S S+ 0 0 26 207,-2.9 11,-2.1 1,-0.3 2,-0.4 0.776 103.2 28.9 -78.6 -31.9 8.6 -13.1 4.1 77 120 A V E S-IJ 86 283D 25 206,-1.5 206,-2.6 9,-0.2 2,-0.5 -0.960 70.3-171.8-136.4 117.7 9.9 -14.2 0.7 78 121 A K E -IJ 85 282D 30 7,-1.5 7,-2.0 -2,-0.4 2,-0.4 -0.928 3.3-172.8-112.4 128.2 9.1 -12.5 -2.6 79 122 A L E + J 0 281D 52 202,-2.0 2,-0.9 -2,-0.5 202,-0.8 -0.611 20.0 162.1-123.4 68.6 10.2 -14.2 -5.8 80 123 A T - 0 0 47 -2,-0.4 200,-0.1 1,-0.2 3,-0.1 -0.775 62.8 -29.1-105.3 96.1 9.4 -11.6 -8.5 81 124 A G S S- 0 0 72 -2,-0.9 -1,-0.2 198,-0.3 3,-0.1 0.991 123.6 -32.6 69.8 67.8 11.1 -12.0 -11.8 82 198 A G S S+ 0 0 95 -3,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.432 119.0 92.9 76.2 -0.9 14.5 -13.7 -11.4 83 199 A S - 0 0 55 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.769 61.1-142.6-120.6 168.2 15.1 -12.2 -8.0 84 200 A V - 0 0 84 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.984 9.8-166.9-131.2 139.3 14.6 -13.1 -4.4 85 201 A I E -I 78 0D 67 -7,-2.0 -7,-1.5 -2,-0.4 2,-0.4 -0.765 2.6-170.1-135.8 91.9 13.6 -10.8 -1.5 86 202 A K E +I 77 0D 174 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.660 28.0 152.0 -73.8 128.1 13.8 -11.9 2.1 87 203 A Q - 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