==== 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 4DZK . COMPND 2 MOLECULE: COILED-COIL PEPTIDE CC-TRI-N13; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.BRUNING,A.R.THOMSON,N.R.ZACCAI,R.L.BRADY,D.N.WOOLFSON . 29 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3080.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 86.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 86.2 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 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 G > 0 0 97 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 162.2 24.5 -3.1 25.8 2 2 A E H > + 0 0 161 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.891 360.0 47.1 -58.4 -48.2 24.3 -6.6 24.3 3 3 A I H > S+ 0 0 121 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.943 113.0 49.4 -63.7 -47.9 20.6 -6.5 23.4 4 4 A A H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.883 110.9 50.3 -56.5 -43.3 20.9 -3.1 21.8 5 5 A A H X S+ 0 0 56 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.912 110.9 49.4 -61.9 -44.4 23.9 -4.2 19.8 6 6 A I H X S+ 0 0 82 -4,-2.3 4,-2.2 1,-0.2 3,-0.2 0.950 110.1 50.9 -57.6 -50.5 21.9 -7.3 18.6 7 7 A K H X S+ 0 0 141 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.866 108.0 52.8 -58.0 -37.8 19.0 -5.1 17.6 8 8 A Q H X S+ 0 0 133 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.888 109.6 48.1 -64.8 -40.8 21.3 -2.8 15.6 9 9 A E H X S+ 0 0 126 -4,-1.8 4,-2.0 -3,-0.2 -2,-0.2 0.850 110.3 51.2 -68.7 -38.0 22.7 -5.7 13.6 10 10 A I H X S+ 0 0 104 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.919 110.9 49.5 -62.5 -44.4 19.2 -7.1 12.9 11 11 A A H X S+ 0 0 49 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.884 108.2 53.0 -61.9 -41.0 18.2 -3.6 11.7 12 12 A A H X S+ 0 0 36 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.899 109.5 48.8 -62.2 -40.9 21.3 -3.5 9.5 13 13 A N H X S+ 0 0 98 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.878 107.6 55.2 -64.9 -39.1 20.3 -6.9 7.9 14 14 A K H X S+ 0 0 156 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.890 108.2 49.4 -59.4 -42.0 16.8 -5.6 7.3 15 15 A K H X S+ 0 0 120 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.923 110.7 48.5 -62.9 -46.7 18.2 -2.7 5.4 16 16 A E H X S+ 0 0 100 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.899 110.1 52.6 -62.2 -40.8 20.4 -4.9 3.2 17 17 A I H X S+ 0 0 96 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.910 109.7 48.1 -60.0 -43.7 17.5 -7.2 2.5 18 18 A A H X S+ 0 0 58 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.894 111.2 51.4 -65.6 -39.3 15.3 -4.2 1.4 19 19 A A H X S+ 0 0 48 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.909 110.2 48.8 -59.8 -47.0 18.2 -3.0 -0.8 20 20 A I H X S+ 0 0 93 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.899 109.0 52.5 -60.8 -43.6 18.5 -6.4 -2.5 21 21 A K H X S+ 0 0 140 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.874 110.2 48.5 -64.4 -35.9 14.8 -6.6 -3.1 22 22 A W H X S+ 0 0 205 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.946 111.7 50.2 -64.3 -49.1 15.0 -3.2 -4.8 23 23 A E H X S+ 0 0 126 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.884 109.1 51.1 -52.4 -45.8 18.0 -4.5 -6.9 24 24 A I H X S+ 0 0 88 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.903 110.4 49.7 -62.4 -40.5 16.0 -7.6 -7.9 25 25 A A H X S+ 0 0 50 -4,-1.9 4,-0.9 -5,-0.2 -2,-0.2 0.878 111.3 49.6 -62.3 -38.9 13.2 -5.4 -9.0 26 26 A A H < S+ 0 0 51 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.858 107.4 52.6 -72.2 -38.3 15.6 -3.3 -11.0 27 27 A I H < S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.899 111.2 47.0 -62.6 -41.2 17.2 -6.2 -12.8 28 28 A K H < 0 0 162 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.704 360.0 360.0 -72.7 -21.7 13.8 -7.5 -13.8 29 29 A Q < 0 0 197 -4,-0.9 -1,-0.1 -5,-0.1 -2,-0.1 -0.013 360.0 360.0 95.4 360.0 13.1 -3.8 -14.9