==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 01-MAR-12 4DZN . COMPND 2 MOLECULE: COILED-COIL PEPTIDE CC-PIL; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.BRUNING,A.R.THOMSON,N.R.ZACCAI,R.L.BRADY,D.N.WOOLFSON . 96 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 84.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 1 0 2 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 G > 0 0 96 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-153.5 22.8 12.1 -9.7 2 2 A E H > + 0 0 104 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.846 360.0 55.3 -66.5 -34.5 20.7 9.2 -8.6 3 3 A I H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.942 109.9 47.6 -63.6 -43.8 23.7 6.8 -8.1 4 4 A A H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.872 110.0 53.4 -61.6 -38.7 25.1 9.4 -5.7 5 5 A A H X S+ 0 0 37 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.904 107.9 49.3 -63.5 -41.8 21.7 9.7 -4.0 6 6 A L H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.895 109.2 52.8 -63.2 -41.5 21.6 5.9 -3.4 7 7 A K H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.897 108.0 51.0 -60.1 -42.2 25.1 6.0 -2.0 8 8 A Q H X S+ 0 0 145 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.878 108.3 52.9 -61.5 -38.2 23.9 8.8 0.4 9 9 A E H X S+ 0 0 71 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.920 109.4 47.9 -61.7 -44.8 21.0 6.5 1.4 10 10 A I H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 110.4 51.9 -62.6 -43.0 23.4 3.7 2.2 11 11 A A H X S+ 0 0 42 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.921 110.0 49.8 -61.0 -43.1 25.6 6.0 4.2 12 12 A A H X S+ 0 0 51 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.891 109.6 50.6 -62.7 -40.7 22.6 7.1 6.2 13 13 A L H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.904 107.2 54.3 -65.2 -39.6 21.6 3.5 6.9 14 14 A K H X S+ 0 0 93 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.910 108.8 48.4 -59.4 -44.1 25.1 2.7 8.1 15 15 A K H X S+ 0 0 157 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.879 110.8 51.0 -64.4 -38.9 24.8 5.5 10.6 16 16 A E H X S+ 0 0 71 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.892 111.1 48.4 -61.8 -40.9 21.4 4.3 11.8 17 17 A I H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.928 109.9 51.2 -68.3 -44.1 22.8 0.8 12.2 18 18 A A H X S+ 0 0 42 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.914 108.3 52.9 -56.9 -44.6 25.8 2.1 14.2 19 19 A A H X S+ 0 0 49 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.879 108.8 49.5 -58.8 -41.5 23.4 4.1 16.5 20 20 A L H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.879 106.5 55.7 -68.6 -37.0 21.5 0.9 17.2 21 21 A K H X S+ 0 0 98 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.906 106.3 51.1 -60.3 -42.5 24.7 -1.0 18.0 22 22 A X H X S+ 0 0 197 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.924 109.7 50.6 -55.7 -46.3 25.5 1.7 20.6 23 23 A E H X S+ 0 0 67 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.900 110.3 48.8 -60.0 -43.5 22.0 1.2 22.1 24 24 A I H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.918 108.0 54.3 -62.8 -43.0 22.5 -2.5 22.3 25 25 A A H X S+ 0 0 53 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.913 109.0 49.0 -55.5 -46.5 25.9 -2.0 24.0 26 26 A A H X S+ 0 0 62 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.882 109.7 51.4 -61.3 -42.4 24.2 0.1 26.7 27 27 A L H X S+ 0 0 12 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.874 110.8 48.5 -63.7 -39.0 21.5 -2.6 27.2 28 28 A K H X S+ 0 0 75 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.875 109.3 52.8 -66.1 -39.7 24.2 -5.2 27.6 29 29 A Q H < S+ 0 0 159 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.935 110.8 47.5 -60.4 -45.6 26.1 -3.0 30.1 30 30 A G H < S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.798 113.1 49.8 -61.4 -33.9 22.9 -2.6 32.1 31 31 A Y H < 0 0 109 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.955 360.0 360.0 -73.6 -53.6 22.2 -6.4 32.0 32 32 A Y < 0 0 214 -4,-2.5 0, 0.0 -5,-0.1 0, 0.0 -0.463 360.0 360.0 -83.5 360.0 25.6 -7.7 33.1 33 !* 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 34 1 B G > 0 0 98 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-155.0 30.1 -1.2 -11.6 35 2 B E H > + 0 0 94 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.854 360.0 52.8 -62.5 -37.9 28.2 1.1 -9.2 36 3 B I H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.937 108.7 49.4 -67.6 -44.1 25.1 -1.1 -9.1 37 4 B A H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.891 111.4 50.8 -58.3 -41.7 27.1 -4.2 -8.1 38 5 B A H X S+ 0 0 49 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.908 110.0 49.1 -61.1 -44.3 28.9 -2.2 -5.4 39 6 B L H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.884 108.2 53.8 -65.5 -39.0 25.5 -1.0 -4.0 40 7 B K H X S+ 0 0 94 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.875 108.6 50.0 -62.3 -36.2 24.1 -4.6 -4.0 41 8 B Q H X S+ 0 0 145 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.899 110.3 49.7 -69.7 -41.4 27.2 -5.7 -2.0 42 9 B E H X S+ 0 0 75 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 110.8 50.0 -59.3 -46.0 26.6 -2.8 0.5 43 10 B I H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 108.3 53.1 -61.4 -41.0 22.9 -3.8 0.8 44 11 B A H X S+ 0 0 41 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.897 109.8 48.4 -60.6 -42.5 23.9 -7.4 1.5 45 12 B A H X S+ 0 0 42 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.919 110.1 51.2 -63.2 -46.2 26.2 -6.3 4.3 46 13 B L H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.897 107.0 54.5 -59.3 -40.9 23.5 -4.1 5.8 47 14 B K H X S+ 0 0 101 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 108.3 48.5 -61.4 -40.4 21.0 -7.1 5.7 48 15 B K H X S+ 0 0 166 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.885 110.9 51.4 -61.9 -44.2 23.5 -9.2 7.7 49 16 B E H X S+ 0 0 68 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.904 109.9 49.2 -59.1 -44.7 24.0 -6.4 10.2 50 17 B I H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.924 108.6 52.8 -62.1 -43.2 20.2 -6.1 10.7 51 18 B A H X S+ 0 0 59 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.911 109.6 49.3 -58.1 -42.9 19.9 -9.9 11.2 52 19 B A H X S+ 0 0 51 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.917 111.1 49.3 -64.3 -44.9 22.5 -9.7 13.9 53 20 B L H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.884 108.5 53.1 -61.1 -38.7 20.8 -6.8 15.6 54 21 B K H X S+ 0 0 95 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.906 110.5 47.9 -65.5 -41.7 17.4 -8.6 15.5 55 22 B X H X S+ 0 0 196 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.915 111.9 48.8 -63.0 -45.8 19.0 -11.6 17.2 56 23 B E H X S+ 0 0 62 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.907 112.7 47.6 -62.6 -43.8 20.7 -9.5 19.9 57 24 B I H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.908 110.7 51.9 -64.8 -41.2 17.4 -7.6 20.7 58 25 B A H X S+ 0 0 55 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.922 112.1 47.2 -59.2 -42.6 15.5 -10.9 20.8 59 26 B A H X S+ 0 0 52 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.896 110.2 51.2 -67.5 -42.6 18.1 -12.2 23.3 60 27 B L H X S+ 0 0 13 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.863 105.8 56.2 -64.1 -36.5 18.0 -9.0 25.5 61 28 B K H X S+ 0 0 78 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.926 109.2 46.6 -61.9 -41.5 14.2 -9.3 25.6 62 29 B Q H < S+ 0 0 159 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.893 113.4 50.6 -62.4 -42.7 14.5 -12.8 27.1 63 30 B G H < S+ 0 0 31 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.923 118.3 35.5 -61.2 -46.2 17.2 -11.5 29.5 64 31 B Y H < 0 0 88 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.844 360.0 360.0 -83.3 -33.2 15.2 -8.6 30.8 65 32 B Y < 0 0 116 -4,-2.7 31,-0.0 -5,-0.3 0, 0.0 -0.550 360.0 360.0-110.1 360.0 11.7 -10.2 30.8 66 !* 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 67 1 C G > 0 0 98 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.3 15.3 -3.7 -13.0 68 2 C E H > + 0 0 110 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.871 360.0 51.8 -64.3 -37.0 18.3 -4.1 -10.7 69 3 C I H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.935 109.5 48.4 -64.3 -46.6 18.1 -0.4 -9.7 70 4 C A H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.919 112.3 50.3 -56.6 -43.9 14.4 -0.7 -8.9 71 5 C A H X S+ 0 0 46 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.899 107.9 52.3 -62.7 -44.3 15.2 -3.8 -6.8 72 6 C L H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.902 109.1 50.3 -57.7 -44.9 18.0 -2.0 -4.9 73 7 C K H X S+ 0 0 90 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.895 109.7 50.5 -64.0 -37.0 15.5 0.8 -4.0 74 8 C Q H X S+ 0 0 148 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.893 109.5 51.4 -64.6 -40.1 13.0 -1.8 -2.8 75 9 C E H X S+ 0 0 70 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.877 108.9 50.6 -64.6 -40.8 15.7 -3.4 -0.6 76 10 C I H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 109.3 51.1 -61.7 -43.1 16.6 0.1 0.8 77 11 C A H X S+ 0 0 57 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.895 109.7 50.5 -61.3 -39.8 12.9 0.7 1.7 78 12 C A H X S+ 0 0 41 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.881 108.5 51.6 -67.6 -38.3 12.8 -2.7 3.4 79 13 C L H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.894 107.0 53.8 -65.1 -39.0 16.0 -1.9 5.5 80 14 C K H X S+ 0 0 91 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.892 109.0 49.1 -61.9 -40.0 14.4 1.4 6.6 81 15 C K H X S+ 0 0 143 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.918 111.7 48.2 -64.6 -44.0 11.3 -0.5 7.8 82 16 C E H X S+ 0 0 54 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.895 111.1 51.3 -61.6 -42.6 13.5 -3.0 9.7 83 17 C I H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 108.9 51.2 -61.8 -43.3 15.5 -0.1 11.3 84 18 C A H X S+ 0 0 56 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.902 110.4 48.4 -58.8 -44.2 12.3 1.5 12.4 85 19 C A H X S+ 0 0 46 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.896 112.4 49.0 -65.0 -42.2 11.1 -1.7 14.0 86 20 C L H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.892 107.8 53.3 -62.5 -42.7 14.4 -2.1 15.8 87 21 C K H X S+ 0 0 90 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.910 111.5 48.2 -58.8 -43.2 14.4 1.5 17.0 88 22 C X H X S+ 0 0 188 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.940 111.1 48.2 -62.5 -48.6 11.0 0.8 18.5 89 23 C E H X S+ 0 0 62 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.882 113.8 47.9 -60.6 -40.8 12.0 -2.4 20.2 90 24 C I H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.929 111.5 48.6 -66.0 -46.7 15.1 -0.8 21.7 91 25 C A H X S+ 0 0 55 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.912 113.9 48.5 -62.2 -40.6 13.2 2.2 23.0 92 26 C A H >X>S+ 0 0 25 -4,-2.4 5,-2.8 -5,-0.2 3,-0.7 0.935 111.6 48.6 -63.2 -46.7 10.6 -0.1 24.5 93 27 C L H ><5S+ 0 0 9 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.872 104.3 59.3 -63.0 -39.3 13.2 -2.4 26.1 94 28 C K H 3<5S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.780 115.2 36.6 -60.7 -29.9 15.1 0.6 27.7 95 29 C Q H <<5S- 0 0 159 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.436 110.3-117.2-102.1 -1.8 12.0 1.6 29.5 96 30 C G T <<5 + 0 0 38 -3,-0.9 2,-0.6 -4,-0.6 -3,-0.2 0.909 63.1 151.3 61.6 42.1 10.6 -1.9 30.3 97 31 C Y < 0 0 182 -5,-2.8 -1,-0.2 1,-0.1 -2,-0.1 -0.934 360.0 360.0-109.2 113.8 7.6 -1.2 28.2 98 32 C Y 0 0 223 -2,-0.6 -1,-0.1 -3,-0.1 -5,-0.1 0.414 360.0 360.0-115.5 360.0 6.0 -4.2 26.6