==== 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 1DF5 . COMPND 2 MOLECULE: HIV-1 ENVELOPE GLYCOPROTEIN GP41; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR W.SHU,H.JI,M.LU . 68 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 80.9 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 . 1 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 69.1 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 0 1 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 1 A S 0 0 140 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 128.0 64.0 -12.5 58.3 2 2 A G + 0 0 51 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.331 360.0 6.5 159.1 115.2 62.1 -9.4 59.4 3 3 A I + 0 0 128 -2,-0.1 -1,-0.2 3,-0.0 0, 0.0 0.861 54.1 161.3 65.8 108.6 63.0 -5.8 60.1 4 4 A V > + 0 0 104 3,-0.1 4,-1.5 -3,-0.1 5,-0.1 0.623 65.8 59.6-126.7 -32.9 66.6 -4.9 59.3 5 5 A Q H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.899 106.2 51.1 -67.0 -40.3 66.8 -1.1 59.0 6 6 A Q H > S+ 0 0 114 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.796 110.8 50.1 -65.9 -28.6 65.7 -0.7 62.6 7 7 A Q H > S+ 0 0 125 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.778 112.3 46.4 -79.3 -28.7 68.4 -3.2 63.6 8 8 A N H X S+ 0 0 64 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.768 110.8 52.1 -82.9 -28.8 71.0 -1.3 61.6 9 9 A N H < S+ 0 0 72 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.766 112.3 46.8 -76.8 -26.4 69.9 2.0 63.1 10 10 A L H X S+ 0 0 96 -4,-0.9 4,-2.1 -5,-0.2 3,-0.4 0.863 112.8 47.8 -80.6 -40.6 70.2 0.6 66.6 11 11 A L H X S+ 0 0 33 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.901 108.1 56.1 -66.4 -40.5 73.6 -0.9 65.9 12 12 A R H X S+ 0 0 166 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.727 108.1 50.1 -63.6 -22.0 74.7 2.4 64.4 13 13 A A H > S+ 0 0 43 -3,-0.4 4,-3.1 -4,-0.3 5,-0.2 0.901 106.9 51.2 -82.3 -45.7 73.7 4.0 67.7 14 14 A I H X S+ 0 0 87 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.935 111.9 49.5 -55.1 -47.3 75.6 1.5 69.9 15 15 A E H X S+ 0 0 64 -4,-2.3 4,-1.8 2,-0.2 3,-0.2 0.950 112.7 44.6 -55.8 -56.3 78.7 2.2 67.8 16 16 A A H X S+ 0 0 53 -4,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.889 113.4 52.8 -57.0 -39.4 78.4 5.9 68.1 17 17 A Q H X S+ 0 0 117 -4,-3.1 4,-2.2 1,-0.2 -1,-0.3 0.837 103.2 57.8 -65.9 -32.1 77.7 5.4 71.8 18 18 A Q H X S+ 0 0 13 -4,-2.1 4,-1.9 -3,-0.2 -1,-0.2 0.910 107.1 47.8 -63.6 -40.9 80.9 3.4 72.0 19 19 A H H X S+ 0 0 96 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.933 108.3 54.6 -65.1 -45.6 82.8 6.4 70.7 20 20 A L H >X S+ 0 0 113 -4,-2.2 4,-1.6 1,-0.2 3,-0.5 0.914 108.7 49.0 -52.1 -48.6 81.1 8.7 73.1 21 21 A L H 3X S+ 0 0 91 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.893 105.8 55.7 -61.0 -42.9 82.1 6.5 76.0 22 22 A Q H 3X S+ 0 0 77 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.787 107.1 51.6 -63.4 -25.4 85.8 6.4 74.9 23 23 A L H X S+ 0 0 62 -4,-3.0 4,-2.8 1,-0.2 3,-0.7 0.947 109.0 50.1 -53.9 -54.2 91.7 9.6 82.8 30 30 A Q H 3X S+ 0 0 67 -4,-2.7 4,-1.0 1,-0.3 -1,-0.2 0.862 108.1 53.4 -54.3 -39.8 93.3 12.9 82.1 31 31 A L H 3< S+ 0 0 127 -4,-1.3 4,-0.4 -5,-0.3 -1,-0.3 0.827 110.5 48.0 -65.4 -32.4 91.6 14.5 85.1 32 32 A Q H XX S+ 0 0 31 -4,-1.6 3,-1.8 -3,-0.7 4,-0.8 0.930 104.2 59.0 -71.6 -47.4 93.1 11.6 87.2 33 33 A A H 3X S+ 0 0 28 -4,-2.8 4,-0.7 1,-0.3 -1,-0.2 0.774 89.7 77.0 -51.8 -27.3 96.5 12.1 85.7 34 34 A R H 3< S+ 0 0 163 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.868 93.7 48.1 -54.1 -40.5 96.3 15.7 87.1 35 35 A S H <4 S- 0 0 111 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.2 0.998 131.3 -64.8 -65.2 -65.1 97.1 14.5 90.6 36 36 A G H < S- 0 0 59 -4,-0.8 3,-0.2 1,-0.5 -2,-0.1 -0.162 88.1 -26.7 167.6 90.2 100.1 12.3 89.9 37 37 A G < - 0 0 47 -4,-0.7 -1,-0.5 1,-0.2 3,-0.2 0.345 50.4-124.7 73.9 149.1 100.1 9.1 87.9 38 38 A R > + 0 0 126 1,-0.1 3,-0.9 -3,-0.1 -1,-0.2 -0.246 66.0 126.2-120.6 41.4 97.3 6.7 87.3 39 39 A G G > + 0 0 47 1,-0.2 3,-0.8 -3,-0.2 -1,-0.1 0.698 64.4 63.6 -74.1 -19.1 99.1 3.6 88.6 40 40 A G G 3 S+ 0 0 76 1,-0.2 3,-0.3 -3,-0.2 -1,-0.2 0.627 96.9 59.1 -80.5 -10.6 96.3 2.7 91.0 41 41 A W G X> + 0 0 105 -3,-0.9 4,-3.6 1,-0.2 3,-1.2 0.225 60.1 116.4-102.9 13.2 93.8 2.1 88.3 42 42 A M H <> S+ 0 0 109 -3,-0.8 4,-3.8 1,-0.3 5,-0.3 0.912 84.9 47.9 -45.8 -47.3 95.4 -0.6 86.2 43 43 A E H 3> S+ 0 0 116 -3,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.776 112.9 49.1 -64.9 -26.8 92.5 -2.8 87.2 44 44 A W H <> S+ 0 0 84 -3,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.909 114.7 43.7 -76.4 -44.8 90.2 0.0 86.2 45 45 A D H X S+ 0 0 37 -4,-3.6 4,-2.9 1,-0.2 -2,-0.2 0.933 114.9 49.0 -64.0 -47.5 92.0 0.5 82.9 46 46 A R H X S+ 0 0 137 -4,-3.8 4,-2.2 -5,-0.3 -1,-0.2 0.821 109.5 52.9 -61.9 -33.8 92.1 -3.3 82.3 47 47 A E H X S+ 0 0 95 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.2 0.901 110.7 48.0 -68.3 -40.8 88.4 -3.5 83.1 48 48 A I H X S+ 0 0 40 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.972 112.7 46.5 -62.4 -56.6 87.7 -0.7 80.5 49 49 A N H X S+ 0 0 93 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.900 108.8 59.0 -52.3 -44.5 89.8 -2.4 77.8 50 50 A N H X S+ 0 0 107 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.911 113.7 33.5 -52.8 -51.8 88.1 -5.7 78.6 51 51 A Y H X S+ 0 0 131 -4,-1.8 4,-2.6 -3,-0.2 -1,-0.2 0.878 116.5 53.9 -76.4 -38.0 84.6 -4.6 77.8 52 52 A T H X S+ 0 0 21 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.920 110.7 49.1 -61.2 -41.1 85.5 -2.1 75.1 53 53 A S H X S+ 0 0 78 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.842 111.2 48.7 -65.9 -36.2 87.3 -5.0 73.3 54 54 A L H X S+ 0 0 91 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.864 113.5 48.0 -72.3 -35.9 84.3 -7.3 73.8 55 55 A I H X S+ 0 0 49 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.917 108.9 51.0 -71.9 -44.4 81.9 -4.6 72.4 56 56 A H H X S+ 0 0 87 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.950 115.6 43.8 -57.0 -48.5 84.0 -3.8 69.3 57 57 A S H X S+ 0 0 51 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.831 111.3 53.8 -65.3 -34.8 84.2 -7.5 68.5 58 58 A L H < S+ 0 0 107 -4,-1.7 4,-0.3 2,-0.2 -1,-0.2 0.861 111.4 46.8 -68.1 -34.7 80.5 -7.9 69.3 59 59 A I H >X S+ 0 0 13 -4,-2.5 4,-1.4 2,-0.2 3,-0.7 0.908 112.1 48.7 -72.0 -44.5 79.7 -5.1 66.9 60 60 A E H 3X S+ 0 0 90 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.839 109.5 51.4 -66.1 -35.4 82.0 -6.4 64.1 61 61 A E H 3< S+ 0 0 95 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.609 111.2 51.9 -76.8 -10.2 80.5 -9.9 64.3 62 62 A S H <4 S+ 0 0 40 -3,-0.7 -2,-0.2 -4,-0.3 -1,-0.2 0.742 109.8 46.1 -94.9 -27.9 77.1 -8.2 64.0 63 63 A Q H < S+ 0 0 75 -4,-1.4 4,-0.2 1,-0.2 -2,-0.2 0.929 117.6 39.0 -80.2 -50.4 77.9 -6.2 60.9 64 64 A N S < S+ 0 0 61 -4,-1.8 2,-0.4 1,-0.2 -1,-0.2 0.481 113.4 63.8 -80.0 -2.2 79.6 -8.8 58.8 65 65 A Q S S+ 0 0 134 -5,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.728 87.5 56.6-127.0 84.0 77.1 -11.4 60.0 66 66 A Q + 0 0 113 -2,-0.4 2,-0.8 -3,-0.2 -1,-0.1 0.228 59.2 131.7-178.6 -13.0 73.5 -10.6 59.0 67 67 A E 0 0 151 -4,-0.2 -1,-0.0 -3,-0.1 -4,-0.0 -0.437 360.0 360.0 -61.7 103.2 73.7 -10.3 55.2 68 68 A K 0 0 222 -2,-0.8 -1,-0.1 -3,-0.1 -3,-0.0 -0.786 360.0 360.0-119.4 360.0 70.7 -12.5 54.1