==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 15-OCT-09 3K9A . COMPND 2 MOLECULE: HIV GLYCOPROTEIN GP41; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR W.SHI,D.HAN,H.HABTE,M.CHO,M.R.CHANCE . 82 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 87.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 84.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 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 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 13 A G > 0 0 66 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.5 -2.1 24.1 57.7 2 14 A S H > + 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 360.0 61.0 -68.0 -36.2 -4.1 21.7 59.8 3 15 A G H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.845 106.4 44.6 -60.6 -37.8 -1.1 21.0 62.0 4 16 A I H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 113.9 47.5 -75.7 -43.5 -0.8 24.6 63.1 5 17 A V H X S+ 0 0 95 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.889 114.7 49.3 -61.4 -38.3 -4.5 25.1 63.8 6 18 A Q H X S+ 0 0 80 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.902 109.3 50.7 -65.8 -44.0 -4.4 21.8 65.7 7 19 A Q H X S+ 0 0 14 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.853 107.5 54.3 -63.7 -35.5 -1.4 22.9 67.7 8 20 A Q H X S+ 0 0 137 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.898 106.9 50.8 -66.3 -39.1 -3.2 26.1 68.6 9 21 A S H X S+ 0 0 49 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.938 109.7 51.5 -58.4 -47.5 -6.1 24.0 69.9 10 22 A N H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.915 112.2 44.9 -54.2 -49.3 -3.6 22.0 72.0 11 23 A L H X S+ 0 0 88 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.920 111.4 52.4 -64.7 -45.2 -2.0 25.2 73.5 12 24 A L H X S+ 0 0 97 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.929 110.1 48.3 -56.9 -48.3 -5.4 26.8 74.2 13 25 A R H X S+ 0 0 103 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.897 109.9 53.8 -60.8 -40.0 -6.6 23.7 76.1 14 26 A A H X S+ 0 0 11 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.932 109.3 46.4 -61.1 -46.5 -3.4 23.6 78.0 15 27 A I H X S+ 0 0 97 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.845 111.1 52.9 -69.0 -30.1 -3.7 27.2 79.2 16 28 A E H X S+ 0 0 101 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.923 111.9 45.3 -65.6 -45.1 -7.4 26.7 80.1 17 29 A A H X S+ 0 0 5 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.899 112.3 51.9 -63.1 -42.4 -6.3 23.6 82.2 18 30 A Q H X S+ 0 0 93 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.836 104.4 57.1 -64.3 -32.5 -3.5 25.7 83.7 19 31 A Q H X S+ 0 0 87 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.876 104.8 52.2 -63.9 -36.9 -6.0 28.4 84.6 20 32 A H H X S+ 0 0 86 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.912 108.9 49.4 -65.5 -41.7 -7.9 25.8 86.6 21 33 A L H X S+ 0 0 41 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.914 109.2 53.0 -60.3 -44.5 -4.8 24.9 88.5 22 34 A L H X S+ 0 0 93 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.912 107.7 50.6 -56.8 -45.4 -4.1 28.6 89.2 23 35 A Q H X S+ 0 0 107 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.910 110.1 49.9 -59.3 -43.2 -7.6 29.0 90.6 24 36 A L H X S+ 0 0 18 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.891 111.0 49.4 -63.2 -40.1 -7.1 25.9 92.9 25 37 A T H X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.901 111.0 49.4 -66.6 -40.3 -3.7 27.4 94.0 26 38 A V H X S+ 0 0 59 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.945 112.0 48.6 -61.8 -47.8 -5.4 30.8 94.7 27 39 A W H X S+ 0 0 147 -4,-2.9 4,-2.7 1,-0.2 6,-0.3 0.920 108.6 56.4 -54.4 -46.0 -8.1 28.9 96.7 28 40 A G H X>S+ 0 0 6 -4,-2.6 5,-2.9 1,-0.2 4,-0.6 0.915 109.8 41.7 -55.1 -49.7 -5.4 27.0 98.5 29 41 A I H ><5S+ 0 0 132 -4,-2.2 3,-0.7 3,-0.2 -1,-0.2 0.898 113.5 53.4 -70.6 -37.6 -3.6 30.1 99.8 30 42 A K H 3<5S+ 0 0 159 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.920 114.4 42.5 -57.1 -44.3 -6.9 31.9 100.7 31 43 A Q H 3<5S- 0 0 108 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.501 112.6-118.9 -82.4 -4.7 -7.9 28.8 102.7 32 44 A G T <<5S- 0 0 73 -3,-0.7 -3,-0.2 -4,-0.6 2,-0.2 0.745 84.0 -14.8 70.4 23.2 -4.5 28.4 104.3 33 45 A G S - 0 0 50 -2,-0.3 4,-1.8 1,-0.0 5,-0.1 0.156 50.6 -74.8 -76.2-161.7 -8.0 19.1 102.0 36 48 A S H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.855 131.9 55.9 -67.6 -36.3 -7.8 15.8 100.1 37 49 A E H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 105.4 51.8 -61.7 -43.7 -10.4 17.0 97.5 38 50 A W H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.936 112.1 46.5 -56.3 -47.5 -8.2 20.0 96.8 39 51 A E H X S+ 0 0 123 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.842 109.5 55.2 -63.9 -34.8 -5.3 17.6 96.2 40 52 A R H X S+ 0 0 125 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.934 110.2 44.2 -64.8 -46.5 -7.5 15.4 94.0 41 53 A E H X S+ 0 0 65 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.902 111.7 53.3 -66.4 -41.9 -8.5 18.2 91.7 42 54 A I H X S+ 0 0 40 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.954 111.6 46.8 -54.4 -50.5 -4.9 19.4 91.5 43 55 A S H X S+ 0 0 57 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.906 111.0 51.5 -59.2 -45.5 -3.9 15.9 90.5 44 56 A N H X S+ 0 0 67 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.920 113.8 42.3 -59.1 -47.8 -6.6 15.6 87.9 45 57 A Y H X S+ 0 0 67 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.870 110.8 56.5 -70.8 -35.7 -5.8 18.9 86.2 46 58 A T H X S+ 0 0 39 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.932 107.2 49.8 -58.9 -44.9 -2.1 18.2 86.4 47 59 A D H X S+ 0 0 95 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.925 111.0 48.8 -58.5 -47.7 -2.7 14.9 84.5 48 60 A I H X S+ 0 0 83 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.915 111.6 50.2 -57.1 -45.2 -4.7 16.7 81.9 49 61 A I H X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.893 109.0 50.0 -65.4 -41.0 -2.0 19.3 81.4 50 62 A Y H X S+ 0 0 140 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.861 110.5 50.4 -67.9 -33.7 0.8 16.8 81.0 51 63 A R H X S+ 0 0 157 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.903 112.4 47.3 -67.4 -40.8 -1.1 14.9 78.4 52 64 A L H X S+ 0 0 21 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.895 112.2 49.6 -67.1 -39.9 -1.8 18.2 76.5 53 65 A I H X S+ 0 0 61 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.919 111.7 48.9 -64.6 -43.1 1.9 19.2 76.8 54 66 A E H X S+ 0 0 88 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.930 112.5 47.3 -60.9 -47.6 3.0 15.8 75.5 55 67 A E H X S+ 0 0 80 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.858 111.8 51.6 -62.4 -36.0 0.5 16.0 72.6 56 68 A S H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.878 107.7 51.2 -69.8 -38.8 1.7 19.5 71.8 57 69 A Q H X S+ 0 0 126 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.923 112.0 47.9 -63.1 -42.9 5.4 18.4 71.8 58 70 A N H X S+ 0 0 81 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.932 113.1 46.9 -61.8 -47.5 4.5 15.6 69.4 59 71 A Q H X S+ 0 0 25 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.877 108.7 56.3 -63.0 -38.3 2.5 18.0 67.2 60 72 A Q H X S+ 0 0 78 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.920 106.4 50.1 -58.1 -44.9 5.4 20.5 67.3 61 73 A E H X S+ 0 0 97 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.915 111.6 47.7 -61.4 -44.4 7.8 17.9 66.0 62 74 A K H X S+ 0 0 121 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.896 110.6 51.6 -63.3 -41.9 5.4 17.0 63.1 63 75 A N H X S+ 0 0 21 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.879 109.9 49.6 -62.0 -39.0 4.9 20.7 62.2 64 76 A E H X S+ 0 0 87 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.885 109.7 50.9 -70.4 -37.8 8.7 21.3 62.1 65 77 A Q H X S+ 0 0 109 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.934 111.0 48.3 -60.6 -47.6 9.2 18.3 59.8 66 78 A E H X S+ 0 0 111 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.910 112.0 50.1 -60.0 -43.1 6.5 19.5 57.5 67 79 A L H X S+ 0 0 107 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.920 110.3 49.7 -58.8 -47.2 8.2 23.0 57.5 68 80 A L H X S+ 0 0 121 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.913 113.6 45.8 -59.9 -44.4 11.6 21.4 56.8 69 81 A A H X S+ 0 0 61 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.929 114.6 47.0 -64.8 -46.7 10.1 19.4 53.9 70 82 A L H X S+ 0 0 91 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.914 112.2 50.9 -61.6 -44.3 8.2 22.4 52.5 71 83 A D H X S+ 0 0 98 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.893 112.3 46.7 -58.9 -42.9 11.3 24.6 52.8 72 84 A K H X S+ 0 0 126 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.908 111.6 50.8 -67.5 -42.8 13.4 22.1 51.0 73 85 A W H X S+ 0 0 168 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.896 112.7 46.8 -60.6 -41.5 10.8 21.7 48.2 74 86 A A H < S+ 0 0 40 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.846 109.0 53.7 -71.0 -34.6 10.6 25.5 47.8 75 87 A S H X S+ 0 0 63 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.722 107.8 51.4 -74.9 -21.6 14.4 25.9 47.7 76 88 A L H X S+ 0 0 99 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.872 107.3 51.0 -78.2 -41.5 14.6 23.3 44.9 77 89 A W H < S+ 0 0 59 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.469 108.2 58.7 -72.6 -1.4 12.0 25.1 42.9 78 90 A N H >4 S+ 0 0 63 2,-0.1 3,-0.9 -5,-0.1 -2,-0.2 0.878 108.4 39.1 -88.7 -51.6 14.2 28.1 43.5 79 91 A W H 3< S+ 0 0 79 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.890 111.3 58.7 -64.9 -41.3 17.4 26.7 42.0 80 92 A F T 3< S+ 0 0 88 -4,-2.3 2,-0.5 1,-0.3 -1,-0.2 0.584 91.1 76.8 -66.4 -8.9 15.5 25.1 39.1 81 93 A D < 0 0 80 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.345 360.0 360.0-100.1 51.7 14.2 28.6 38.2 82 94 A I 0 0 135 -2,-0.5 -3,-0.0 -3,-0.3 -4,-0.0 -0.978 360.0 360.0-150.1 360.0 17.4 29.9 36.5