==== 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 3L37 . 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 . 61 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 82.0 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 . 7 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 70.5 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 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 0 217 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -18.7 -23.0 7.2 44.3 2 2 A M H > + 0 0 151 2,-0.2 4,-1.5 3,-0.2 5,-0.1 0.787 360.0 48.4 -87.4 -27.5 -21.0 10.1 43.1 3 3 A K H > S+ 0 0 152 2,-0.2 4,-1.5 3,-0.2 -1,-0.1 0.864 113.5 50.5 -71.6 -35.0 -18.2 8.0 41.5 4 4 A Q H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.916 112.6 44.1 -67.2 -44.1 -21.0 6.0 39.8 5 5 A I H X S+ 0 0 88 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.851 114.1 51.6 -67.9 -33.8 -22.7 9.2 38.5 6 6 A E H X S+ 0 0 120 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.729 105.2 55.6 -73.7 -24.0 -19.2 10.5 37.5 7 7 A D H X S+ 0 0 93 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.890 106.3 51.1 -69.0 -41.1 -18.6 7.3 35.6 8 8 A K H X S+ 0 0 150 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.848 107.1 53.9 -66.3 -34.7 -21.8 7.9 33.7 9 9 A I H X S+ 0 0 89 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.908 107.2 50.9 -63.9 -42.1 -20.6 11.4 32.8 10 10 A E H X S+ 0 0 122 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.868 111.8 47.4 -63.9 -35.7 -17.3 10.0 31.4 11 11 A E H X S+ 0 0 140 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.882 113.0 47.4 -73.1 -39.8 -19.3 7.5 29.3 12 12 A I H X S+ 0 0 116 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.872 113.9 48.8 -68.5 -35.0 -21.6 10.2 28.0 13 13 A E H X S+ 0 0 70 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.909 109.6 51.5 -65.3 -45.6 -18.6 12.5 27.3 14 14 A S H X S+ 0 0 69 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.878 111.7 47.3 -65.3 -36.8 -16.8 9.7 25.4 15 15 A K H X S+ 0 0 143 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.879 109.5 52.8 -72.9 -37.0 -19.8 9.1 23.3 16 16 A Q H X S+ 0 0 112 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.911 108.7 51.1 -62.6 -43.9 -20.3 12.8 22.5 17 17 A K H X S+ 0 0 114 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.885 109.9 49.3 -58.9 -39.9 -16.7 13.0 21.4 18 18 A K H X S+ 0 0 145 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.921 110.8 51.0 -64.9 -42.6 -17.3 10.0 19.1 19 19 A I H X S+ 0 0 92 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.935 110.3 48.2 -61.2 -47.5 -20.4 11.8 17.8 20 20 A E H X S+ 0 0 103 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.882 110.0 51.8 -61.8 -36.9 -18.5 15.0 17.0 21 21 A N H X S+ 0 0 89 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.896 111.8 47.4 -67.8 -38.5 -15.7 13.0 15.3 22 22 A E H X S+ 0 0 94 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.875 107.3 55.7 -69.9 -42.1 -18.3 11.3 13.1 23 23 A I H X S+ 0 0 86 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.912 106.4 51.7 -56.7 -42.6 -20.1 14.6 12.3 24 24 A A H X S+ 0 0 57 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.907 109.8 49.0 -63.9 -40.2 -16.7 16.0 11.0 25 25 A R H X S+ 0 0 116 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.909 111.0 50.5 -65.2 -42.3 -16.3 12.9 8.8 26 26 A I H X S+ 0 0 97 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.915 108.7 51.7 -59.1 -43.3 -19.8 13.3 7.5 27 27 A K H X S+ 0 0 135 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.898 109.5 50.4 -64.4 -38.2 -19.2 17.0 6.7 28 28 A K H X S+ 0 0 145 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.924 112.5 45.0 -67.2 -46.4 -16.0 16.1 4.7 29 29 A L H X S+ 0 0 72 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.906 110.9 54.1 -64.5 -40.8 -17.8 13.5 2.6 30 30 A L H X S+ 0 0 95 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.907 105.8 53.6 -60.5 -37.1 -20.7 15.8 2.0 31 31 A Q H X S+ 0 0 134 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.893 108.0 50.7 -65.4 -39.5 -18.2 18.4 0.8 32 32 A L H X S+ 0 0 23 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.893 108.7 51.1 -65.6 -38.2 -16.9 15.8 -1.7 33 33 A T H X S+ 0 0 57 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 108.7 51.1 -67.3 -36.5 -20.4 15.0 -2.9 34 34 A V H X S+ 0 0 74 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.924 110.2 50.3 -62.1 -45.7 -21.1 18.7 -3.5 35 35 A W H X S+ 0 0 37 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.930 109.4 51.6 -58.8 -43.9 -17.8 18.9 -5.5 36 36 A G H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.896 110.7 46.7 -64.2 -39.9 -18.8 15.9 -7.6 37 37 A I H X S+ 0 0 116 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.936 113.8 48.2 -64.9 -43.4 -22.2 17.4 -8.4 38 38 A K H X S+ 0 0 146 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.916 113.3 48.9 -64.1 -40.6 -20.7 20.8 -9.3 39 39 A Q H X S+ 0 0 16 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.940 111.7 47.9 -66.8 -46.7 -18.1 19.0 -11.5 40 40 A L H X S+ 0 0 98 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.923 112.7 48.4 -57.3 -48.5 -20.6 16.8 -13.3 41 41 A Q H >X S+ 0 0 120 -4,-2.5 4,-2.9 1,-0.2 3,-0.8 0.943 115.9 44.4 -59.2 -45.0 -22.9 19.8 -14.0 42 42 A A H 3< S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.857 108.3 54.2 -71.7 -37.9 -19.9 21.9 -15.3 43 43 A R H 3< S+ 0 0 186 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.609 120.3 36.2 -76.8 -5.5 -18.3 19.2 -17.4 44 44 A I H << 0 0 128 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.767 360.0 360.0-110.3 -39.8 -21.6 18.9 -19.2 45 45 A L < 0 0 169 -4,-2.9 -3,-0.1 -5,-0.2 -2,-0.1 0.995 360.0 360.0 -60.8 360.0 -23.2 22.4 -19.4 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 1 H X 0 0 178 0, 0.0 -8,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-130.6 -12.8 22.9 -10.3 48 2 H G + 0 0 56 3,-0.0 2,-0.3 4,-0.0 3,-0.0 -0.298 360.0 35.5 -58.1 131.9 -9.7 22.1 -8.3 49 3 H X > + 0 0 92 1,-0.1 3,-2.1 -2,-0.0 4,-0.3 -0.957 39.9 125.5 133.6-143.5 -9.7 18.8 -6.4 50 4 H X G > S- 0 0 2 -2,-0.3 3,-1.8 1,-0.3 6,-0.4 0.845 112.2 -60.5 53.1 37.3 -11.0 15.2 -7.1 51 5 H X G 3 S- 0 0 61 1,-0.3 -1,-0.3 9,-0.1 6,-0.1 0.679 91.9 -68.0 65.5 16.9 -7.5 13.8 -6.5 52 6 H X G < S- 0 0 115 -3,-2.1 2,-0.5 1,-0.1 -1,-0.3 0.650 98.1 -61.3 70.5 16.4 -6.3 16.0 -9.4 53 7 H X X + 0 0 63 -3,-1.8 3,-2.1 -4,-0.3 4,-0.2 -0.934 68.0 151.8 126.6-116.1 -8.4 13.8 -11.8 54 8 H X G > S- 0 0 122 -2,-0.5 3,-1.6 1,-0.3 4,-0.3 0.857 98.9 -60.8 52.1 33.9 -7.9 10.0 -12.4 55 9 H X G 3 S- 0 0 116 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.604 107.1 -46.4 71.9 11.3 -11.6 9.6 -13.2 56 10 H X G X> S- 0 0 22 -3,-2.1 4,-2.3 -6,-0.4 3,-0.9 0.181 76.3-109.9 112.8 -14.5 -12.5 10.9 -9.7 57 11 H X H <> S- 0 0 77 -3,-1.6 4,-2.6 1,-0.3 5,-0.2 0.880 73.5 -60.2 55.2 39.1 -10.1 8.7 -7.8 58 12 H X H 34 S- 0 0 147 -4,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.840 111.1 -40.6 59.2 33.3 -13.0 6.6 -6.4 59 13 H X H X4 S- 0 0 4 -3,-0.9 3,-1.4 2,-0.2 -2,-0.2 0.926 109.8 -57.9 83.0 43.1 -14.3 9.8 -4.8 60 14 H X H 3< S- 0 0 34 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.863 104.5 -56.0 39.1 50.4 -10.7 11.0 -3.8 61 15 H X T 3< 0 0 142 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.671 360.0 360.0 69.1 23.5 -10.5 7.7 -1.9 62 16 H X < 0 0 119 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.602 360.0 360.0 83.5 360.0 -13.7 8.5 0.1