==== 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 3H5F . COMPND 2 MOLECULE: COIL SER L16L-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) . 6049.0 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 0 153 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.6 -6.9 7.2 20.5 2 2 A W H > + 0 0 58 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.950 360.0 50.3 -66.3 -46.2 -8.0 4.9 17.7 3 3 A E H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 109.5 52.4 -56.7 -48.2 -7.6 7.6 15.1 4 4 A A H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.908 107.2 51.8 -55.4 -44.5 -4.1 8.4 16.5 5 5 A L H X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.935 109.8 49.9 -58.5 -45.3 -3.0 4.7 16.2 6 6 A E H X S+ 0 0 66 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.852 110.3 48.9 -61.0 -41.8 -4.2 4.7 12.5 7 7 A K H X S+ 0 0 144 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.902 111.5 50.4 -66.3 -38.3 -2.3 7.9 11.7 8 8 A K H X S+ 0 0 110 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.895 109.6 51.6 -66.8 -37.3 0.8 6.4 13.4 9 9 A L H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.927 108.9 49.1 -64.1 -44.9 0.4 3.3 11.3 10 10 A A H X S+ 0 0 47 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.910 110.4 52.6 -58.6 -42.7 0.2 5.2 8.1 11 11 A A H X S+ 0 0 45 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.903 108.9 49.4 -57.9 -45.2 3.3 7.1 9.1 12 12 A L H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.843 105.4 56.7 -66.1 -34.1 5.1 3.9 9.7 13 13 A E H X S+ 0 0 83 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.910 108.5 47.7 -64.5 -37.9 4.0 2.6 6.3 14 14 A S H X S+ 0 0 78 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.883 111.1 52.3 -65.6 -37.9 5.7 5.6 4.7 15 15 A K H X S+ 0 0 103 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.879 109.0 47.4 -69.8 -45.7 8.8 5.1 6.7 16 16 A X H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.885 109.7 53.0 -70.6 -30.2 9.3 1.5 5.8 17 17 A Q H X S+ 0 0 115 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.943 110.8 49.5 -60.8 -46.8 8.7 2.3 2.1 18 18 A A H X S+ 0 0 34 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.923 112.8 45.4 -53.7 -45.9 11.4 4.9 2.4 19 19 A L H X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.883 109.2 55.7 -72.8 -36.6 13.8 2.5 4.1 20 20 A E H X S+ 0 0 67 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.872 111.3 44.6 -56.6 -42.8 13.1 -0.3 1.6 21 21 A K H X S+ 0 0 127 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.882 112.6 50.7 -71.1 -42.6 14.1 2.0 -1.3 22 22 A K H X S+ 0 0 95 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.905 109.9 50.2 -60.6 -44.7 17.2 3.3 0.5 23 23 A L H X S+ 0 0 6 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.881 107.4 54.5 -63.5 -39.2 18.3 -0.2 1.2 24 24 A E H X S+ 0 0 89 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.915 110.2 48.0 -59.5 -41.1 17.8 -1.1 -2.5 25 25 A A H >< S+ 0 0 56 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.961 111.4 47.8 -63.0 -51.5 20.0 1.8 -3.4 26 26 A L H >< S+ 0 0 45 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.815 104.1 61.7 -61.1 -33.5 22.8 0.9 -1.0 27 27 A E H 3< S+ 0 0 92 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.803 108.4 44.4 -60.1 -30.9 22.7 -2.7 -2.1 28 28 A H T << 0 0 130 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.224 360.0 360.0-104.7 16.0 23.7 -1.4 -5.5 29 29 A G < 0 0 93 -3,-1.5 -1,-0.4 -5,-0.1 -2,-0.0 -0.433 360.0 360.0 97.1 360.0 26.4 1.0 -4.2 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 0 148 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -47.3 -6.1 -6.9 22.7 32 2 B W H > + 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 360.0 50.5 -62.7 -45.8 -5.8 -3.1 22.5 33 3 B E H > S+ 0 0 125 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 108.8 52.3 -59.7 -41.8 -2.7 -3.2 24.8 34 4 B A H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 109.5 49.8 -60.8 -39.5 -1.1 -5.9 22.5 35 5 B L H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.920 112.5 46.5 -68.6 -44.5 -1.7 -3.7 19.4 36 6 B E H X S+ 0 0 83 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.915 112.2 51.0 -59.9 -43.0 -0.1 -0.6 21.1 37 7 B K H X S+ 0 0 157 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.903 110.6 48.9 -61.8 -40.7 2.9 -2.7 22.3 38 8 B K H X S+ 0 0 108 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.906 112.0 47.7 -68.8 -42.0 3.4 -4.1 18.8 39 9 B L H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.906 112.1 50.1 -62.6 -44.1 3.3 -0.6 17.2 40 10 B A H X S+ 0 0 53 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.915 111.7 48.9 -59.3 -45.0 5.7 0.7 19.9 41 11 B A H X S+ 0 0 48 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.895 110.7 49.9 -63.3 -42.4 8.0 -2.2 19.2 42 12 B L H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.888 107.7 54.4 -61.9 -41.5 7.9 -1.6 15.4 43 13 B E H X S+ 0 0 57 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.867 110.2 46.2 -60.9 -39.0 8.6 2.1 15.9 44 14 B S H X S+ 0 0 76 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.873 109.9 54.3 -70.5 -40.7 11.8 1.2 17.9 45 15 B K H X S+ 0 0 66 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.862 108.0 48.8 -61.6 -43.5 12.8 -1.4 15.2 46 16 B X H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.852 111.5 50.2 -61.8 -40.1 12.6 1.2 12.3 47 17 B Q H X S+ 0 0 131 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.881 111.6 47.4 -65.7 -42.0 14.6 3.6 14.3 48 18 B A H X S+ 0 0 42 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 113.7 49.4 -61.3 -44.7 17.3 0.9 15.1 49 19 B L H X S+ 0 0 21 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.919 109.9 48.5 -66.9 -39.3 17.3 -0.0 11.4 50 20 B E H X S+ 0 0 49 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.900 110.4 53.3 -66.3 -39.7 17.7 3.5 10.1 51 21 B K H X S+ 0 0 128 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.932 111.6 45.0 -53.8 -51.0 20.5 4.0 12.6 52 22 B K H X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.842 111.0 53.3 -64.4 -36.5 22.3 0.9 11.3 53 23 B L H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.902 109.0 49.5 -64.7 -44.2 21.7 1.9 7.7 54 24 B E H X S+ 0 0 72 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.889 109.6 51.6 -63.9 -41.1 23.3 5.3 8.3 55 25 B A H X S+ 0 0 53 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.899 112.4 45.3 -60.0 -45.7 26.2 3.7 9.9 56 26 B L H < S+ 0 0 67 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.886 114.6 48.6 -63.8 -40.1 26.8 1.4 7.0 57 27 B E H < S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.911 129.0 19.2 -65.9 -46.3 26.3 4.1 4.4 58 28 B H H < 0 0 129 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.600 360.0 360.0-104.1 -17.7 28.7 6.7 6.0 59 29 B G < 0 0 104 -4,-2.1 -3,-0.1 -5,-0.3 -4,-0.1 0.266 360.0 360.0-102.7 360.0 30.9 4.7 8.3 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 0 125 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.2 -11.5 -2.4 10.9 62 2 C W H > + 0 0 61 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.913 360.0 48.9 -63.4 -42.2 -9.6 -4.0 13.9 63 3 C E H > S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 109.6 51.4 -66.8 -37.1 -8.9 -7.0 11.8 64 4 C A H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 110.7 50.1 -64.3 -40.1 -7.7 -4.8 8.9 65 5 C L H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.893 108.9 50.6 -64.6 -45.3 -5.3 -3.0 11.4 66 6 C E H X S+ 0 0 73 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.926 110.4 49.6 -61.3 -43.6 -4.0 -6.3 12.7 67 7 C K H X S+ 0 0 167 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.888 110.2 51.5 -58.2 -43.2 -3.3 -7.5 9.2 68 8 C K H X S+ 0 0 88 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.906 110.3 48.2 -60.3 -44.0 -1.5 -4.2 8.4 69 9 C L H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.897 111.8 49.6 -64.2 -42.4 0.7 -4.6 11.5 70 10 C A H X S+ 0 0 52 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.906 110.6 50.6 -63.4 -43.4 1.5 -8.2 10.6 71 11 C A H X S+ 0 0 47 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.937 111.1 49.0 -54.2 -45.9 2.4 -7.0 7.1 72 12 C L H X S+ 0 0 5 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.933 108.6 52.9 -63.3 -45.1 4.7 -4.3 8.6 73 13 C E H X S+ 0 0 67 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.910 108.9 49.5 -52.1 -47.7 6.3 -6.9 10.9 74 14 C S H X S+ 0 0 81 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.882 112.0 49.9 -61.2 -39.7 7.1 -9.1 7.9 75 15 C K H X S+ 0 0 101 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.924 110.2 47.1 -71.5 -42.7 8.6 -6.2 6.0 76 16 C X H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.891 111.1 52.6 -71.6 -31.2 10.9 -5.0 8.8 77 17 C Q H X S+ 0 0 56 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.947 110.9 47.9 -60.4 -43.7 12.1 -8.5 9.4 78 18 C A H X S+ 0 0 56 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.908 112.8 48.1 -59.1 -44.3 12.9 -8.7 5.6 79 19 C L H X S+ 0 0 12 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.869 108.4 54.5 -68.7 -35.3 14.7 -5.3 5.7 80 20 C E H X S+ 0 0 49 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.899 110.0 47.1 -62.2 -41.4 16.7 -6.3 8.9 81 21 C K H X S+ 0 0 148 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.919 111.6 51.2 -72.4 -39.0 17.9 -9.4 7.1 82 22 C K H X S+ 0 0 53 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.927 109.3 49.8 -59.1 -47.5 18.8 -7.3 3.9 83 23 C L H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.922 107.3 54.9 -60.4 -43.7 20.7 -4.8 6.0 84 24 C E H X S+ 0 0 104 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.919 107.1 50.7 -53.2 -45.1 22.6 -7.7 7.6 85 25 C A H >< S+ 0 0 59 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.948 109.9 50.3 -57.8 -48.2 23.7 -9.0 4.2 86 26 C L H >< S+ 0 0 42 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.866 105.0 57.5 -59.5 -36.4 24.9 -5.5 3.2 87 27 C E H 3< S+ 0 0 71 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.750 109.1 46.0 -65.4 -30.7 26.9 -5.3 6.4 88 28 C H T << 0 0 152 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.191 360.0 360.0 -99.3 12.4 28.8 -8.5 5.4 89 29 C G < 0 0 95 -3,-1.6 -1,-0.4 -4,-0.1 -2,-0.0 -0.436 360.0 360.0 106.3 360.0 29.4 -7.3 1.8