==== 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 DE NOVO PROTEIN 16-DEC-09 3L36 . COMPND 2 MOLECULE: GP41 N-PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.D.WELCH,J.S.REDMAN,S.PAUL,F.G.WHITBY,M.T.WEINSTOCK,J.D.REE . 60 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 81.7 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 . 6 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 71.7 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 1 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 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 R > 0 0 221 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -40.9 15.1 -8.0 62.6 2 2 A M H > + 0 0 125 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.930 360.0 48.4 -60.2 -44.7 15.0 -11.7 61.6 3 3 A K H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.891 109.1 53.0 -63.9 -40.0 11.7 -11.1 59.8 4 4 A Q H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.933 111.3 46.5 -60.8 -45.5 13.1 -8.0 58.0 5 5 A I H X S+ 0 0 91 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.922 111.7 51.3 -61.4 -43.8 16.1 -10.1 56.8 6 6 A E H X S+ 0 0 106 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.901 111.5 47.6 -61.3 -41.1 13.6 -12.9 55.7 7 7 A D H X S+ 0 0 84 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.893 111.2 50.9 -66.0 -39.9 11.5 -10.4 53.8 8 8 A K H X S+ 0 0 110 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.897 109.9 50.4 -64.1 -42.8 14.7 -8.9 52.1 9 9 A I H X S+ 0 0 82 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.926 109.2 50.3 -63.5 -44.7 15.8 -12.4 51.1 10 10 A E H X S+ 0 0 122 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.899 110.0 51.8 -60.3 -39.8 12.4 -13.2 49.5 11 11 A E H X S+ 0 0 117 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.905 110.8 47.1 -61.2 -44.5 12.5 -9.9 47.6 12 12 A I H X S+ 0 0 92 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.920 112.0 49.9 -65.7 -44.4 16.0 -10.7 46.3 13 13 A E H X S+ 0 0 87 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.852 109.3 52.7 -63.1 -34.9 14.9 -14.2 45.3 14 14 A S H X S+ 0 0 67 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.895 109.6 47.9 -67.4 -41.5 11.9 -12.8 43.5 15 15 A K H X S+ 0 0 108 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.889 108.9 55.0 -63.3 -41.5 14.0 -10.4 41.5 16 16 A Q H X S+ 0 0 106 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.888 107.7 49.0 -57.6 -43.2 16.4 -13.3 40.7 17 17 A K H X S+ 0 0 115 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.888 109.4 52.1 -64.5 -40.5 13.4 -15.2 39.3 18 18 A K H X S+ 0 0 106 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.913 110.8 48.4 -58.1 -46.9 12.3 -12.2 37.2 19 19 A I H X S+ 0 0 94 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.906 109.0 52.9 -60.9 -44.9 15.9 -12.0 35.8 20 20 A E H X S+ 0 0 104 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.875 108.8 50.6 -58.5 -38.9 15.8 -15.7 35.0 21 21 A N H X S+ 0 0 93 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.902 109.6 49.5 -66.4 -42.4 12.5 -15.2 33.1 22 22 A E H X S+ 0 0 92 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.900 110.1 51.4 -63.5 -43.0 14.0 -12.3 31.1 23 23 A I H X S+ 0 0 86 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.916 109.4 50.2 -59.8 -44.6 17.1 -14.4 30.2 24 24 A A H X S+ 0 0 50 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.894 110.7 49.9 -61.0 -39.2 14.8 -17.3 29.1 25 25 A R H X S+ 0 0 133 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.905 111.2 48.7 -67.6 -42.3 12.9 -14.8 26.9 26 26 A I H X S+ 0 0 102 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.921 109.5 52.6 -64.5 -43.1 16.1 -13.4 25.4 27 27 A K H X S+ 0 0 132 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.906 108.4 50.7 -61.0 -40.0 17.4 -16.9 24.6 28 28 A K H X S+ 0 0 164 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.927 113.9 43.1 -65.8 -42.2 14.2 -17.8 22.8 29 29 A L H X S+ 0 0 66 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.903 111.1 54.8 -71.6 -39.9 14.3 -14.8 20.6 30 30 A L H X S+ 0 0 93 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.907 105.3 54.8 -59.6 -40.4 18.0 -15.1 20.0 31 31 A Q H X S+ 0 0 119 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.883 106.3 51.4 -60.3 -39.4 17.3 -18.7 18.8 32 32 A L H X S+ 0 0 24 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.901 109.2 49.9 -64.2 -38.9 14.8 -17.3 16.3 33 33 A T H X S+ 0 0 53 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.889 108.1 52.7 -70.0 -34.8 17.3 -14.9 14.9 34 34 A V H X S+ 0 0 74 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.935 110.9 47.7 -61.3 -46.8 19.9 -17.6 14.6 35 35 A W H X S+ 0 0 39 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.912 110.7 51.7 -58.7 -45.0 17.4 -19.6 12.5 36 36 A G H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.920 109.4 49.5 -61.4 -43.3 16.6 -16.5 10.4 37 37 A I H X S+ 0 0 112 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.905 108.8 53.3 -61.8 -41.1 20.2 -15.9 9.6 38 38 A K H X S+ 0 0 140 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.920 111.0 46.5 -61.6 -41.8 20.7 -19.6 8.6 39 39 A Q H X S+ 0 0 63 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.913 113.0 48.3 -68.2 -40.5 17.8 -19.3 6.2 40 40 A L H X S+ 0 0 98 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.936 111.4 50.0 -66.0 -42.4 19.0 -16.1 4.7 41 41 A Q H X S+ 0 0 111 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.924 107.2 54.8 -60.9 -41.5 22.5 -17.4 4.3 42 42 A A H < S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.902 109.5 47.6 -63.5 -35.4 21.2 -20.5 2.5 43 43 A R H < S+ 0 0 224 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.908 111.5 50.3 -66.8 -41.6 19.4 -18.4 0.0 44 44 A I H < 0 0 138 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.823 360.0 360.0 -66.6 -31.7 22.5 -16.2 -0.6 45 45 A L < 0 0 164 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.541 360.0 360.0 -89.2 360.0 24.7 -19.2 -1.2 46 !* 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 47 2 H X 0 0 185 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 59.6 11.9 -26.1 10.9 48 3 H X > + 0 0 80 1,-0.1 3,-2.2 -13,-0.0 4,-0.2 -0.992 360.0 120.6 150.5-143.0 10.7 -23.0 12.8 49 4 H X G > S- 0 0 1 -2,-0.3 3,-2.1 1,-0.3 6,-0.4 0.824 110.6 -68.5 55.5 29.8 9.8 -19.5 11.6 50 5 H X G 3 S- 0 0 54 1,-0.3 -1,-0.3 9,-0.1 6,-0.1 0.686 90.9 -63.2 64.7 14.3 6.3 -20.0 12.9 51 6 H X G < S- 0 0 101 -3,-2.2 2,-0.5 1,-0.1 -1,-0.3 0.512 96.9 -67.5 82.7 6.4 5.8 -22.6 10.1 52 7 H X X + 0 0 76 -3,-2.1 3,-1.8 -4,-0.2 4,-0.3 -0.950 68.4 148.3 125.2-123.6 6.2 -19.9 7.4 53 8 H X G > S- 0 0 110 -2,-0.5 3,-1.4 1,-0.3 4,-0.3 0.877 101.1 -58.8 54.5 34.0 3.9 -17.1 6.6 54 9 H X G 3 S- 0 0 118 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.592 109.3 -44.6 77.3 6.4 6.9 -14.9 5.5 55 10 H X G X> S- 0 0 35 -3,-1.8 4,-2.1 -6,-0.4 3,-1.2 0.257 78.1-106.0 112.5 -11.5 8.4 -15.3 8.9 56 11 H X H <> S- 0 0 93 -3,-1.4 4,-2.6 -4,-0.3 5,-0.2 0.865 73.1 -63.8 62.2 30.8 5.3 -14.7 11.0 57 12 H X H 34 S- 0 0 147 -4,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.846 109.2 -40.6 60.3 30.0 6.6 -11.2 11.9 58 13 H X H X4 S- 0 0 7 -3,-1.2 3,-1.6 2,-0.2 -2,-0.2 0.912 111.0 -55.1 85.4 43.4 9.5 -12.9 13.7 59 14 H X H 3< S- 0 0 37 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.859 101.4 -62.0 50.4 42.6 7.3 -15.8 15.2 60 15 H X T 3< 0 0 148 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.673 360.0 360.0 64.4 16.5 5.2 -13.0 16.7 61 16 H X < 0 0 130 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.607 360.0 360.0 95.8 360.0 8.2 -11.7 18.8