==== 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 4DZM . COMPND 2 MOLECULE: COILED-COIL PEPTIDE CC-DI; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.BRUNING,A.R.THOMSON,N.R.ZACCAI,R.L.BRADY,D.N.WOOLFSON . 62 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 85.5 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 . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 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 0 1 0 1 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 G > 0 0 98 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 113.1 14.4 3.1 33.5 2 2 A E H > + 0 0 156 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.930 360.0 48.3 -56.5 -51.0 14.0 6.6 31.9 3 3 A I H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 112.1 50.8 -54.5 -45.9 17.6 6.8 30.8 4 4 A A H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.914 111.4 46.2 -61.8 -46.1 17.3 3.3 29.3 5 5 A A H X S+ 0 0 53 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.892 112.5 51.5 -62.0 -40.6 14.2 4.2 27.3 6 6 A L H X S+ 0 0 85 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.927 110.4 47.8 -65.7 -45.6 15.7 7.4 26.1 7 7 A K H X S+ 0 0 144 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.916 109.5 54.5 -56.7 -45.7 18.9 5.6 24.9 8 8 A Q H X S+ 0 0 145 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.912 106.8 51.0 -52.8 -45.7 16.6 3.0 23.2 9 9 A E H X S+ 0 0 116 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.913 111.0 47.7 -62.3 -40.6 14.9 5.9 21.4 10 10 A I H X S+ 0 0 84 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.886 108.4 55.1 -65.9 -41.9 18.3 7.3 20.3 11 11 A A H X S+ 0 0 60 -4,-3.1 4,-2.1 1,-0.2 3,-0.3 0.960 109.2 47.6 -50.3 -55.4 19.3 3.8 19.1 12 12 A A H X S+ 0 0 60 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.869 111.0 50.8 -55.4 -42.7 16.2 3.6 16.9 13 13 A L H X S+ 0 0 74 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.825 108.8 51.1 -67.3 -35.9 16.8 7.1 15.5 14 14 A K H X S+ 0 0 142 -4,-2.1 4,-3.0 -3,-0.3 -1,-0.2 0.911 108.3 52.8 -65.3 -43.4 20.4 6.2 14.6 15 15 A K H X S+ 0 0 115 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.877 112.1 46.2 -58.7 -42.8 19.1 3.1 12.9 16 16 A E H X S+ 0 0 95 -4,-1.9 4,-2.7 2,-0.2 5,-0.4 0.902 109.5 52.3 -68.3 -42.8 16.7 5.3 10.9 17 17 A N H X S+ 0 0 79 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.949 111.0 48.9 -67.3 -35.7 19.4 7.9 10.0 18 18 A A H X S+ 0 0 61 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.918 113.2 47.5 -51.5 -54.3 21.6 5.0 8.7 19 19 A A H X S+ 0 0 28 -4,-2.1 4,-2.0 2,-0.2 3,-0.2 0.945 113.6 44.1 -61.5 -52.8 18.7 3.6 6.6 20 20 A L H X S+ 0 0 83 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.874 113.4 53.7 -63.5 -34.4 17.5 6.8 5.0 21 21 A K H X S+ 0 0 156 -4,-2.0 4,-1.9 -5,-0.4 -1,-0.2 0.848 106.8 51.1 -65.3 -35.5 21.2 7.7 4.4 22 22 A X H X S+ 0 0 95 -4,-2.0 4,-1.9 -3,-0.2 -1,-0.2 0.850 106.7 55.7 -68.6 -35.0 21.7 4.3 2.6 23 23 A E H X S+ 0 0 43 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.900 106.7 50.7 -62.0 -40.3 18.7 5.2 0.6 24 24 A I H X S+ 0 0 93 -4,-1.7 4,-2.5 2,-0.2 3,-0.3 0.963 110.9 45.1 -60.1 -58.9 20.3 8.5 -0.5 25 25 A A H X S+ 0 0 45 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.889 112.3 53.4 -54.5 -42.6 23.6 7.0 -1.7 26 26 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.859 108.9 48.9 -65.0 -38.0 21.7 4.2 -3.5 27 27 A L H X S+ 0 0 45 -4,-1.8 4,-3.4 -3,-0.3 -1,-0.2 0.914 110.7 50.3 -65.6 -45.3 19.6 6.8 -5.4 28 28 A K H < S+ 0 0 162 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.833 112.9 47.0 -62.0 -36.2 22.8 8.8 -6.4 29 29 A Q H < S+ 0 0 145 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.913 119.1 41.1 -70.0 -40.6 24.4 5.6 -7.7 30 30 A G H < 0 0 16 -4,-2.1 -2,-0.2 -5,-0.2 21,-0.2 0.940 360.0 360.0 -69.8 -48.5 21.3 4.6 -9.5 31 31 A Y < 0 0 138 -4,-3.4 -3,-0.2 20,-0.1 -2,-0.1 0.954 360.0 360.0 -88.7 360.0 20.2 8.0 -10.9 32 !* 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 33 1 B G > 0 0 84 0, 0.0 4,-1.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -54.6 16.8 5.5 -36.4 34 2 B E H > + 0 0 158 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.812 360.0 47.1 -74.0 -35.2 13.2 5.0 -35.3 35 3 B I H > S+ 0 0 115 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.934 110.2 51.2 -61.7 -49.6 14.6 1.8 -34.1 36 4 B A H > S+ 0 0 57 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.863 107.5 53.7 -57.0 -40.4 17.5 3.7 -32.5 37 5 B A H X S+ 0 0 49 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.920 111.6 44.3 -56.6 -50.4 14.9 6.0 -30.8 38 6 B L H X S+ 0 0 87 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.890 110.2 54.7 -66.2 -39.1 13.2 2.9 -29.3 39 7 B K H X S+ 0 0 147 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.781 107.4 52.2 -63.6 -26.3 16.5 1.3 -28.3 40 8 B Q H X S+ 0 0 145 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.857 108.9 48.4 -78.8 -37.2 17.3 4.5 -26.4 41 9 B E H X S+ 0 0 115 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.870 110.9 52.0 -67.5 -37.5 14.0 4.4 -24.6 42 10 B I H X S+ 0 0 88 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 111.2 45.5 -65.4 -42.2 14.6 0.8 -23.7 43 11 B A H X S+ 0 0 58 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.791 112.0 53.6 -72.3 -27.5 18.1 1.5 -22.3 44 12 B A H X S+ 0 0 49 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.860 112.0 43.3 -72.6 -37.4 16.6 4.5 -20.4 45 13 B L H X S+ 0 0 99 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.830 111.8 54.2 -74.9 -35.3 13.9 2.4 -18.7 46 14 B K H X S+ 0 0 143 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.856 109.6 48.7 -63.4 -37.5 16.4 -0.4 -18.0 47 15 B K H X S+ 0 0 122 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.958 113.3 44.6 -66.1 -53.5 18.6 2.2 -16.2 48 16 B E H X S+ 0 0 118 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.850 112.5 55.2 -53.8 -42.7 15.7 3.6 -14.1 49 17 B N H X S+ 0 0 78 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.853 105.6 49.7 -57.4 -48.2 14.6 -0.0 -13.4 50 18 B A H X S+ 0 0 61 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.827 107.7 55.0 -66.0 -33.0 18.1 -1.0 -12.1 51 19 B A H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.787 106.1 52.7 -68.7 -28.5 18.1 2.0 -9.8 52 20 B L H X S+ 0 0 81 -4,-1.0 4,-2.8 2,-0.2 5,-0.2 0.898 107.0 50.1 -75.8 -45.0 14.7 0.9 -8.4 53 21 B K H X S+ 0 0 132 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.883 113.0 49.6 -52.1 -43.0 16.0 -2.5 -7.6 54 22 B X H X S+ 0 0 90 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.926 110.9 46.3 -66.9 -46.1 18.9 -0.7 -5.9 55 23 B E H X S+ 0 0 32 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.924 113.7 49.4 -65.1 -42.6 16.7 1.6 -3.8 56 24 B I H X S+ 0 0 102 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.891 111.6 50.6 -60.4 -38.7 14.5 -1.4 -2.8 57 25 B A H X S+ 0 0 43 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.919 113.0 45.1 -62.3 -42.8 17.7 -3.2 -1.9 58 26 B A H < S+ 0 0 0 -4,-2.6 -2,-0.2 2,-0.2 3,-0.2 0.949 112.3 50.1 -67.1 -50.5 18.9 -0.2 0.2 59 27 B L H >< S+ 0 0 80 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.871 110.7 51.3 -54.5 -40.9 15.5 0.3 2.0 60 28 B K H 3< S+ 0 0 154 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.857 90.2 72.9 -72.0 -33.9 15.4 -3.4 2.8 61 29 B Q T 3< S+ 0 0 121 -4,-1.7 2,-0.5 1,-0.3 -1,-0.3 0.518 80.1 85.7 -61.9 1.1 18.8 -3.5 4.4 62 30 B G < 0 0 35 -3,-1.2 -1,-0.3 -4,-0.1 -3,-0.1 -0.444 360.0 360.0 -88.5 55.2 16.9 -1.5 7.1 63 31 B Y 0 0 198 -2,-0.5 -3,-0.0 -3,-0.1 -2,-0.0 -0.584 360.0 360.0 -97.8 360.0 15.7 -4.8 8.8