==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 17-NOV-99 1DF4 . COMPND 2 MOLECULE: HIV-1 ENVELOPE GLYCOPROTEIN GP41; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR W.SHU,H.JI,M.LU . 57 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 82.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 82.5 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+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 1 0 0 0 0 0 0 1 0 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 3 A I > 0 0 180 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -29.1 3.9 2.8 59.0 2 4 A V H > + 0 0 99 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.930 360.0 49.2 -64.0 -45.9 2.1 6.0 58.2 3 5 A Q H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 111.2 50.6 -62.0 -39.4 5.1 7.2 56.2 4 6 A Q H > S+ 0 0 102 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.882 107.9 51.9 -67.9 -38.5 5.2 3.9 54.3 5 7 A Q H X S+ 0 0 141 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.913 110.4 49.2 -65.9 -35.8 1.5 4.1 53.5 6 8 A N H X S+ 0 0 73 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.898 109.7 52.0 -67.0 -39.9 2.1 7.6 52.1 7 9 A N H X S+ 0 0 77 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.903 110.6 47.6 -58.2 -51.8 5.0 6.3 50.0 8 10 A L H X S+ 0 0 96 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.901 111.1 50.7 -63.5 -40.6 2.9 3.5 48.6 9 11 A L H X S+ 0 0 30 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.919 109.8 50.1 -61.2 -46.3 0.0 5.9 47.7 10 12 A R H X S+ 0 0 157 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.918 110.4 51.1 -60.3 -34.6 2.4 8.2 45.9 11 13 A A H X S+ 0 0 48 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.930 110.4 48.1 -66.2 -45.2 3.8 5.2 44.0 12 14 A I H X S+ 0 0 80 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.905 111.4 51.3 -63.4 -39.8 0.2 4.2 43.0 13 15 A E H X S+ 0 0 45 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.928 111.3 46.5 -61.1 -45.6 -0.5 7.8 41.9 14 16 A A H X S+ 0 0 59 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.934 111.6 51.8 -69.0 -36.8 2.6 7.9 39.8 15 17 A Q H X S+ 0 0 120 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.869 105.6 55.6 -64.8 -33.8 1.8 4.5 38.3 16 18 A Q H X S+ 0 0 22 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.877 106.1 50.8 -68.2 -36.4 -1.7 5.8 37.4 17 19 A H H X S+ 0 0 138 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.926 111.7 47.8 -62.0 -44.8 -0.1 8.7 35.5 18 20 A L H X S+ 0 0 110 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.928 110.7 51.4 -62.1 -47.6 2.0 6.2 33.6 19 21 A L H X S+ 0 0 93 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.909 108.7 51.2 -52.5 -47.6 -1.0 4.0 32.9 20 22 A Q H X S+ 0 0 70 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.895 108.3 52.2 -62.7 -36.1 -2.9 7.0 31.5 21 23 A L H X S+ 0 0 114 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.872 110.3 48.1 -65.0 -39.0 -0.0 7.8 29.3 22 24 A T H X S+ 0 0 74 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.911 111.1 50.5 -70.9 -37.1 0.0 4.2 27.9 23 25 A V H X S+ 0 0 17 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.938 111.8 48.1 -61.3 -48.7 -3.8 4.3 27.4 24 26 A W H X S+ 0 0 159 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.919 110.8 51.5 -58.8 -40.5 -3.4 7.6 25.5 25 27 A G H X S+ 0 0 24 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.911 109.6 49.2 -62.5 -44.9 -0.5 6.0 23.4 26 28 A I H X S+ 0 0 73 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.933 109.0 52.7 -63.4 -41.8 -2.6 3.0 22.5 27 29 A K H X S+ 0 0 67 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.897 107.8 51.9 -62.7 -32.8 -5.5 5.3 21.4 28 30 A Q H < S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.900 110.8 47.9 -71.8 -36.3 -3.2 7.2 19.2 29 31 A L H < S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 112.3 48.4 -71.6 -31.7 -2.0 4.0 17.5 30 32 A Q H < 0 0 57 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.847 360.0 360.0 -81.2 -25.5 -5.5 2.7 17.0 31 33 A A < 0 0 118 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.663 360.0 360.0 -74.5 360.0 -6.7 6.0 15.5 32 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 33 39 A G 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 34.7 -14.3 0.9 15.3 34 40 A G + 0 0 86 1,-0.0 3,-0.3 4,-0.0 4,-0.2 0.269 360.0 91.7 87.5 -4.6 -14.6 -2.3 17.3 35 41 A W > + 0 0 110 1,-0.2 4,-3.0 2,-0.1 5,-0.2 0.298 48.0 108.0-104.1 8.1 -13.0 -0.8 20.4 36 42 A M H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.845 81.9 44.8 -57.0 -41.3 -16.2 0.4 22.1 37 43 A E H > S+ 0 0 107 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.920 112.4 51.9 -73.9 -37.4 -16.1 -2.2 24.9 38 44 A W H > S+ 0 0 76 -4,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.944 111.1 48.5 -61.6 -41.9 -12.4 -1.6 25.5 39 45 A D H X S+ 0 0 54 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.906 109.6 52.1 -66.3 -41.2 -13.1 2.1 25.8 40 46 A R H X S+ 0 0 114 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.928 113.2 44.4 -58.0 -46.7 -16.0 1.4 28.2 41 47 A E H X S+ 0 0 57 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.912 112.4 50.6 -69.8 -39.4 -13.8 -0.7 30.4 42 48 A I H X S+ 0 0 33 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.954 113.8 46.9 -60.8 -46.5 -10.9 1.7 30.3 43 49 A N H X S+ 0 0 86 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.910 113.3 47.3 -62.0 -45.5 -13.3 4.5 31.3 44 50 A N H X S+ 0 0 80 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.924 116.2 42.9 -65.4 -46.1 -14.9 2.6 34.2 45 51 A Y H X S+ 0 0 145 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.861 112.4 54.1 -69.5 -35.4 -11.6 1.4 35.7 46 52 A T H X S+ 0 0 23 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.947 112.1 44.4 -60.7 -44.6 -10.1 4.8 35.2 47 53 A S H X S+ 0 0 77 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.909 113.0 52.3 -65.6 -41.2 -13.0 6.4 37.2 48 54 A L H X S+ 0 0 86 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.970 110.8 45.7 -59.5 -48.9 -12.8 3.6 39.7 49 55 A I H X S+ 0 0 36 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.894 110.2 54.3 -65.7 -38.1 -9.1 4.1 40.4 50 56 A H H X S+ 0 0 85 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.916 108.9 49.5 -59.7 -43.7 -9.5 7.9 40.6 51 57 A S H X S+ 0 0 63 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.922 112.3 47.1 -63.0 -41.5 -12.2 7.4 43.2 52 58 A L H X S+ 0 0 79 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.885 112.6 49.1 -69.7 -36.0 -9.9 5.1 45.2 53 59 A I H X S+ 0 0 15 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.941 112.5 47.4 -67.8 -46.8 -6.9 7.5 45.0 54 60 A E H X S+ 0 0 69 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.920 112.3 50.5 -62.7 -39.2 -9.0 10.4 46.1 55 61 A E H < S+ 0 0 134 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.949 112.5 46.7 -58.5 -47.4 -10.4 8.3 49.0 56 62 A S H < S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.859 110.3 52.3 -64.9 -42.3 -6.9 7.3 50.0 57 63 A Q H < 0 0 112 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.921 360.0 360.0 -58.3 -44.7 -5.6 10.9 49.7 58 64 A N < 0 0 179 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.830 360.0 360.0 -67.0 360.0 -8.4 12.1 52.0