==== 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 DE NOVO PROTEIN 22-APR-09 3H5G . COMPND 2 MOLECULE: COIL SER L16D-PEN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.F.A.PEACOCK,J.A.STUCKEY,V.L.PECORARO . 87 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 88.5 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 . 4 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 83.9 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 0 0 0 0 2 1 0 0 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 1 A E > 0 0 169 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -42.7 -7.2 6.7 20.6 2 2 A W H > + 0 0 49 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.938 360.0 47.4 -69.0 -46.6 -8.0 4.2 17.8 3 3 A E H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 109.4 55.3 -63.4 -36.5 -7.8 6.8 15.0 4 4 A A H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 106.9 50.2 -61.5 -44.4 -4.5 8.0 16.5 5 5 A L H X S+ 0 0 11 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.900 109.1 52.1 -59.5 -42.4 -3.1 4.4 16.2 6 6 A E H X S+ 0 0 68 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.872 108.3 49.9 -62.6 -39.4 -4.3 4.2 12.6 7 7 A K H X S+ 0 0 158 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.883 111.1 50.1 -67.8 -37.3 -2.5 7.4 11.7 8 8 A K H X S+ 0 0 108 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.856 109.3 51.0 -65.2 -38.2 0.7 6.0 13.4 9 9 A L H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 108.5 52.5 -65.9 -42.1 0.3 2.8 11.4 10 10 A A H X S+ 0 0 45 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.907 108.9 49.8 -56.5 -45.1 0.0 4.9 8.2 11 11 A A H X S+ 0 0 39 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.916 110.6 49.9 -59.6 -44.5 3.2 6.7 9.1 12 12 A L H X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.856 105.8 56.1 -65.7 -35.7 5.0 3.4 9.7 13 13 A E H X S+ 0 0 73 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.920 108.4 48.5 -62.8 -41.5 3.8 2.0 6.4 14 14 A S H X S+ 0 0 77 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.908 112.5 46.5 -62.6 -44.4 5.4 5.0 4.7 15 15 A K H X S+ 0 0 107 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.894 108.1 59.7 -63.0 -42.3 8.7 4.6 6.6 16 16 A X H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.936 109.3 41.7 -41.3 -57.1 8.4 0.9 5.7 17 17 A Q H X S+ 0 0 117 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.902 111.2 56.3 -66.5 -41.3 8.5 1.8 2.0 18 18 A A H X S+ 0 0 49 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.927 110.1 44.3 -60.4 -46.2 11.2 4.3 2.4 19 19 A L H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.868 109.5 56.0 -68.7 -37.8 13.6 1.8 4.0 20 20 A E H X S+ 0 0 74 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.918 110.8 44.9 -58.0 -45.8 12.8 -0.9 1.5 21 21 A K H X S+ 0 0 118 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 112.7 50.7 -68.3 -41.0 13.8 1.5 -1.3 22 22 A K H X S+ 0 0 72 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.895 109.1 50.9 -63.0 -41.4 16.9 2.7 0.5 23 23 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.896 107.3 54.5 -64.7 -36.4 18.1 -0.9 1.1 24 24 A E H X S+ 0 0 86 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.907 110.1 46.8 -61.0 -42.6 17.5 -1.6 -2.6 25 25 A A H >< S+ 0 0 65 -4,-2.1 3,-1.1 2,-0.2 -2,-0.2 0.945 112.8 48.5 -60.8 -49.7 19.8 1.3 -3.5 26 26 A L H >< S+ 0 0 37 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.874 103.8 60.7 -64.2 -36.3 22.5 0.2 -1.0 27 27 A E H 3< S+ 0 0 82 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.768 107.8 46.3 -53.4 -31.4 22.4 -3.4 -2.2 28 28 A H T << 0 0 131 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.155 360.0 360.0-107.5 18.5 23.5 -2.1 -5.6 29 29 A G < 0 0 99 -3,-1.7 -3,-0.3 -4,-0.0 -2,-0.2 0.515 360.0 360.0 109.1 360.0 26.2 0.2 -4.3 30 !* 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 31 1 B E > 0 0 145 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -43.1 -6.5 -7.2 22.4 32 2 B W H > + 0 0 78 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.937 360.0 49.9 -65.9 -46.3 -6.0 -3.4 22.5 33 3 B E H > S+ 0 0 123 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 108.5 53.4 -56.6 -44.3 -2.8 -3.7 24.6 34 4 B A H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 110.3 47.1 -61.1 -42.3 -1.4 -6.3 22.2 35 5 B L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.917 112.4 48.9 -64.6 -47.1 -1.9 -4.0 19.2 36 6 B E H X S+ 0 0 80 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.906 112.4 48.3 -59.9 -42.0 -0.4 -1.0 21.0 37 7 B K H X S+ 0 0 125 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.887 110.1 51.4 -69.9 -38.5 2.6 -3.0 22.1 38 8 B K H X S+ 0 0 95 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.933 111.4 47.9 -62.5 -43.1 3.1 -4.5 18.6 39 9 B L H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.911 111.8 49.9 -61.6 -43.9 3.0 -0.9 17.1 40 10 B A H X S+ 0 0 44 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.905 111.2 49.4 -61.2 -41.6 5.5 0.3 19.7 41 11 B A H X S+ 0 0 42 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.918 110.7 49.8 -64.5 -44.0 7.8 -2.6 18.9 42 12 B L H X S+ 0 0 6 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.902 108.3 52.9 -60.1 -42.2 7.6 -1.9 15.2 43 13 B E H X S+ 0 0 68 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.908 111.0 47.8 -60.0 -39.3 8.4 1.8 15.8 44 14 B S H X S+ 0 0 70 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.903 112.2 47.2 -68.7 -42.1 11.5 0.7 17.8 45 15 B K H X S+ 0 0 94 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.918 107.0 60.5 -63.3 -41.9 12.6 -1.7 15.1 46 16 B X H X S+ 0 0 15 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.937 110.2 40.4 -39.5 -60.7 12.0 1.1 12.7 47 17 B Q H X S+ 0 0 139 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.864 113.6 52.0 -62.6 -43.4 14.6 3.2 14.5 48 18 B A H X S+ 0 0 45 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.892 111.6 46.5 -64.6 -42.0 17.1 0.4 15.1 49 19 B L H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.909 110.8 51.5 -71.0 -39.5 17.1 -0.6 11.4 50 20 B E H X S+ 0 0 55 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.912 109.7 51.6 -61.8 -40.9 17.5 3.0 10.2 51 21 B K H X S+ 0 0 156 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.911 111.4 46.3 -61.8 -42.0 20.4 3.4 12.5 52 22 B K H X S+ 0 0 56 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.874 110.7 53.0 -69.4 -36.8 22.1 0.3 11.2 53 23 B L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.926 109.7 49.0 -63.7 -42.4 21.4 1.4 7.5 54 24 B E H X S+ 0 0 70 -4,-2.4 4,-2.4 1,-0.2 5,-0.4 0.906 110.4 50.4 -64.5 -41.4 23.1 4.7 8.2 55 25 B A H X S+ 0 0 63 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.912 113.8 45.6 -64.5 -39.3 26.1 3.0 9.8 56 26 B L H < S+ 0 0 65 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.916 115.9 45.5 -69.9 -41.0 26.4 0.7 6.7 57 27 B E H < S+ 0 0 94 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.888 132.6 14.7 -67.6 -42.5 26.0 3.5 4.2 58 28 B H H < 0 0 131 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.569 360.0 360.0-111.8 -15.9 28.3 6.1 5.8 59 29 B G < 0 0 103 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.581 360.0 360.0-100.4 360.0 30.4 4.2 8.4 60 !* 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 61 1 C E > 0 0 136 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -52.7 -11.8 -2.5 11.0 62 2 C W H > + 0 0 102 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 360.0 50.6 -63.5 -43.8 -10.0 -4.3 13.7 63 3 C E H > S+ 0 0 147 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 109.8 50.3 -67.2 -39.5 -9.3 -7.3 11.6 64 4 C A H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 109.7 50.6 -63.3 -42.2 -7.8 -5.2 8.8 65 5 C L H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.911 109.5 50.7 -64.0 -42.3 -5.6 -3.3 11.2 66 6 C E H X S+ 0 0 73 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.889 110.2 50.3 -62.5 -38.3 -4.3 -6.7 12.5 67 7 C K H X S+ 0 0 168 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.920 110.2 50.1 -62.8 -45.4 -3.6 -7.9 9.0 68 8 C K H X S+ 0 0 92 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.908 110.5 49.4 -59.3 -42.7 -1.7 -4.7 8.2 69 9 C L H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.912 110.5 50.4 -65.6 -40.3 0.4 -5.1 11.4 70 10 C A H X S+ 0 0 49 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.886 109.9 50.4 -64.8 -38.8 1.2 -8.6 10.5 71 11 C A H X S+ 0 0 56 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.921 110.9 49.3 -64.6 -42.1 2.2 -7.6 7.0 72 12 C L H X S+ 0 0 6 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.913 108.9 52.8 -62.0 -41.4 4.5 -4.9 8.5 73 13 C E H X S+ 0 0 80 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.923 109.7 48.5 -58.7 -44.7 6.0 -7.4 10.9 74 14 C S H X S+ 0 0 70 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.902 113.4 45.5 -62.8 -42.8 6.8 -9.7 8.0 75 15 C K H X S+ 0 0 72 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.902 108.8 60.3 -67.0 -41.2 8.4 -6.8 6.0 76 16 C X H X S+ 0 0 2 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.941 109.5 40.0 -41.5 -59.8 10.2 -5.9 9.3 77 17 C Q H X S+ 0 0 102 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.901 113.3 54.9 -67.9 -37.8 11.9 -9.3 9.4 78 18 C A H X S+ 0 0 53 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.923 111.6 43.0 -61.9 -45.0 12.6 -9.4 5.7 79 19 C L H X S+ 0 0 8 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.868 110.0 57.1 -73.6 -33.0 14.4 -6.0 5.7 80 20 C E H X S+ 0 0 67 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.953 110.3 45.0 -59.3 -43.8 16.3 -6.9 8.9 81 21 C K H X S+ 0 0 124 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.901 111.6 52.2 -68.7 -39.1 17.7 -10.0 7.1 82 22 C K H X S+ 0 0 50 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.928 108.8 50.1 -61.6 -43.0 18.5 -8.0 4.0 83 23 C L H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.926 108.7 52.8 -62.3 -42.0 20.4 -5.4 6.0 84 24 C E H X S+ 0 0 67 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.903 107.5 52.4 -60.2 -40.7 22.3 -8.2 7.7 85 25 C A H >< S+ 0 0 62 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.940 109.4 48.8 -57.9 -48.5 23.2 -9.6 4.2 86 26 C L H >< S+ 0 0 34 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.857 105.4 57.6 -61.7 -37.8 24.5 -6.2 3.1 87 27 C E H 3< S+ 0 0 77 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.781 107.9 48.5 -61.4 -29.0 26.6 -5.8 6.3 88 28 C H T << 0 0 150 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.199 360.0 360.0-101.9 15.1 28.4 -9.0 5.4 89 29 C G < 0 0 100 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.486 360.0 360.0 114.6 360.0 29.1 -8.0 1.8