==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 23-MAY-13 4KVU . COMPND 2 MOLECULE: 6-HELIX COILED COIL CC-HEX-L17C-W224BF; . SOURCE 2 SYNTHETIC: YES . AUTHOR A.J.BURTON,C.AGNEW,R.L.BRADY,D.N.WOOLFSON . 86 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 87.2 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 . 4 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 82.6 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 1 0 0 0 2 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,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.3 -21.0 -9.4 1.5 2 2 A E H > + 0 0 95 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.798 360.0 54.6 -69.9 -33.0 -21.2 -6.2 3.5 3 3 A L H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.864 107.6 50.7 -72.2 -34.5 -24.9 -6.4 4.2 4 4 A K H > S+ 0 0 148 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.896 107.3 54.9 -64.9 -39.0 -24.4 -9.8 5.7 5 5 A A H X S+ 0 0 41 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.879 106.8 50.9 -59.2 -39.1 -21.6 -8.3 7.8 6 6 A I H X S+ 0 0 27 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.926 109.2 50.0 -66.7 -44.3 -24.0 -5.7 9.1 7 7 A A H X S+ 0 0 50 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.893 108.9 52.8 -60.6 -39.8 -26.6 -8.4 10.1 8 8 A Q H X S+ 0 0 101 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.873 108.6 48.8 -67.0 -35.9 -23.9 -10.3 12.0 9 9 A E H X S+ 0 0 40 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.864 109.4 53.0 -71.1 -33.7 -22.9 -7.3 14.0 10 10 A L H X S+ 0 0 88 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.870 106.0 53.7 -64.8 -37.3 -26.5 -6.6 14.8 11 11 A K H X S+ 0 0 145 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.900 107.7 51.3 -61.3 -40.5 -26.8 -10.2 16.0 12 12 A A H X S+ 0 0 34 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.881 108.5 50.7 -63.5 -40.3 -23.8 -9.5 18.3 13 13 A I H X S+ 0 0 26 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.932 108.8 51.2 -64.9 -43.6 -25.5 -6.4 19.7 14 14 A A H X S+ 0 0 64 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.895 108.1 53.4 -60.7 -38.9 -28.7 -8.4 20.5 15 15 A K H X S+ 0 0 126 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.872 109.7 47.3 -61.3 -40.4 -26.6 -11.0 22.3 16 16 A E H X S+ 0 0 42 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.891 108.9 53.5 -73.0 -36.3 -25.0 -8.4 24.5 17 17 A C H X S+ 0 0 62 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.850 106.9 53.0 -63.9 -35.3 -28.4 -6.8 25.3 18 18 A K H X S+ 0 0 131 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.881 108.2 50.6 -64.6 -38.8 -29.6 -10.2 26.4 19 19 A A H X S+ 0 0 33 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.876 108.1 53.0 -63.2 -40.1 -26.6 -10.4 28.7 20 20 A I H X S+ 0 0 29 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.926 108.7 49.1 -61.2 -46.3 -27.4 -7.0 30.1 21 21 A A H X S+ 0 0 61 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.868 109.3 53.5 -60.9 -38.1 -31.0 -8.1 30.9 22 22 A X H X S+ 0 0 180 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.913 110.3 45.7 -63.7 -43.7 -29.6 -11.2 32.6 23 23 A E H X S+ 0 0 21 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.873 109.2 54.8 -71.1 -35.1 -27.4 -9.2 34.9 24 24 A L H X S+ 0 0 86 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.873 106.9 51.2 -65.4 -35.8 -30.1 -6.7 35.8 25 25 A K H X S+ 0 0 161 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.878 109.6 51.2 -66.7 -34.3 -32.3 -9.5 36.9 26 26 A A H < S+ 0 0 43 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.910 109.5 49.7 -68.0 -41.5 -29.5 -10.8 39.0 27 27 A I H < S+ 0 0 54 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.927 112.4 45.6 -63.3 -44.5 -29.0 -7.4 40.6 28 28 A A H < 0 0 83 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 360.0 360.0 -66.2 -29.9 -32.7 -7.1 41.4 29 29 A Q < 0 0 201 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.555 360.0 360.0 71.4 360.0 -32.4 -10.7 42.7 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 G > 0 0 92 0, 0.0 4,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.8 -16.6 1.9 1.5 32 2 B E H > + 0 0 96 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.812 360.0 52.6 -70.7 -33.6 -19.6 3.2 3.3 33 3 B L H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 109.5 50.2 -72.9 -35.1 -21.2 -0.1 4.1 34 4 B K H > S+ 0 0 120 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.894 107.5 55.3 -63.3 -39.6 -18.0 -1.3 5.7 35 5 B A H X S+ 0 0 40 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.876 107.9 48.6 -59.7 -40.0 -17.9 1.9 7.7 36 6 B I H X S+ 0 0 12 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.913 109.8 51.2 -67.6 -44.0 -21.4 1.1 9.0 37 7 B A H X S+ 0 0 5 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.879 108.5 53.2 -60.1 -38.4 -20.4 -2.5 9.9 38 8 B Q H X S+ 0 0 89 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.868 108.3 48.4 -66.9 -37.6 -17.4 -1.1 11.8 39 9 B E H X S+ 0 0 43 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.852 109.8 52.4 -71.7 -33.2 -19.5 1.3 13.9 40 10 B L H X S+ 0 0 10 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.885 106.5 54.0 -65.1 -37.5 -21.9 -1.5 14.7 41 11 B K H X S+ 0 0 110 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.893 108.0 50.7 -60.9 -39.9 -18.9 -3.6 15.9 42 12 B A H X S+ 0 0 33 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.874 108.6 50.6 -64.2 -40.6 -18.0 -0.6 18.2 43 13 B I H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.922 108.6 52.3 -64.6 -42.8 -21.5 -0.6 19.6 44 14 B A H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.896 107.3 53.0 -60.2 -40.1 -21.4 -4.3 20.3 45 15 B K H X S+ 0 0 143 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.880 110.6 46.8 -61.7 -39.9 -18.0 -3.8 22.2 46 16 B E H X S+ 0 0 37 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.874 109.4 52.9 -74.2 -35.2 -19.6 -1.1 24.4 47 17 B C H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.880 107.9 51.9 -64.7 -35.8 -22.7 -3.2 25.1 48 18 B K H X S+ 0 0 118 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.884 108.5 52.0 -63.3 -38.8 -20.3 -6.0 26.2 49 19 B A H X S+ 0 0 28 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.864 106.8 52.7 -64.1 -39.1 -18.6 -3.5 28.5 50 20 B I H X S+ 0 0 14 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.946 109.9 48.0 -62.0 -46.6 -22.0 -2.6 30.0 51 21 B A H X S+ 0 0 10 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.879 109.3 54.9 -60.6 -38.7 -22.8 -6.2 30.7 52 22 B X H X S+ 0 0 177 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.886 109.5 45.2 -62.1 -41.2 -19.3 -6.7 32.3 53 23 B E H X S+ 0 0 33 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.880 111.6 52.7 -72.1 -36.4 -19.8 -3.8 34.7 54 24 B L H X S+ 0 0 9 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.848 104.0 57.4 -66.4 -33.8 -23.3 -5.0 35.6 55 25 B K H X S+ 0 0 96 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.888 107.1 48.6 -63.0 -35.1 -21.9 -8.4 36.4 56 26 B A H < S+ 0 0 45 -4,-1.2 3,-0.3 2,-0.2 -2,-0.2 0.901 110.0 50.7 -70.3 -40.9 -19.6 -6.7 38.9 57 27 B I H >< S+ 0 0 45 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.903 106.7 55.2 -61.8 -40.8 -22.5 -4.8 40.4 58 28 B A H 3< S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.784 105.1 54.3 -63.4 -27.9 -24.4 -8.1 40.7 59 29 B Q T 3< 0 0 141 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.315 360.0 360.0 -88.6 8.5 -21.4 -9.5 42.7 60 30 B G < 0 0 106 -3,-1.8 -3,-0.2 -4,-0.0 -2,-0.1 0.545 360.0 360.0 86.2 360.0 -21.5 -6.7 45.2 61 !* 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 62 1 C G > 0 0 80 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 167.7 -24.1 11.3 1.6 63 2 C E H > + 0 0 162 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.780 360.0 55.5 -70.3 -31.5 -26.9 9.5 3.5 64 3 C L H > S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 108.3 49.3 -70.8 -34.2 -24.8 6.4 4.2 65 4 C K H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.884 107.6 55.0 -66.6 -39.8 -22.1 8.5 5.8 66 5 C A H X S+ 0 0 53 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.892 107.6 50.1 -58.3 -39.6 -24.8 10.2 7.8 67 6 C I H X S+ 0 0 85 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.929 109.5 49.9 -66.8 -44.5 -25.9 6.8 9.1 68 7 C A H X S+ 0 0 7 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.876 109.1 53.2 -60.5 -38.7 -22.3 5.9 10.0 69 8 C Q H X S+ 0 0 104 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.881 108.5 48.3 -67.4 -37.2 -22.0 9.2 11.9 70 9 C E H X S+ 0 0 130 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.869 109.5 52.9 -70.9 -33.7 -25.1 8.5 14.0 71 10 C L H X S+ 0 0 27 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.890 106.1 54.4 -64.7 -37.5 -23.9 5.0 14.8 72 11 C K H X S+ 0 0 111 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.893 106.9 51.3 -60.3 -40.4 -20.6 6.6 16.0 73 12 C A H X S+ 0 0 43 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.883 108.5 50.7 -64.2 -40.0 -22.7 8.8 18.3 74 13 C I H X S+ 0 0 84 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.936 108.9 51.4 -64.7 -44.1 -24.5 5.8 19.7 75 14 C A H X S+ 0 0 9 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.894 107.9 53.1 -60.3 -39.5 -21.2 4.0 20.4 76 15 C K H X S+ 0 0 146 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.892 110.5 46.6 -61.1 -40.8 -19.9 7.1 22.2 77 16 C E H X S+ 0 0 117 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.887 109.5 52.9 -73.0 -36.3 -23.0 7.1 24.5 78 17 C C H X S+ 0 0 18 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.853 108.0 52.7 -64.2 -35.2 -22.8 3.4 25.2 79 18 C K H X S+ 0 0 133 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.891 108.5 50.4 -62.8 -40.8 -19.2 4.0 26.2 80 19 C A H X S+ 0 0 39 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.873 108.0 53.0 -63.8 -39.9 -20.4 6.7 28.6 81 20 C I H X S+ 0 0 86 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.936 108.6 49.4 -61.8 -46.8 -23.0 4.4 30.1 82 21 C A H X S+ 0 0 8 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.879 111.7 49.7 -60.0 -39.4 -20.3 1.7 30.8 83 22 C X H >< S+ 0 0 183 -4,-1.8 3,-0.7 1,-0.2 4,-0.5 0.901 108.2 51.3 -68.5 -41.2 -18.1 4.3 32.5 84 23 C E H >< S+ 0 0 127 -4,-2.3 3,-1.4 1,-0.2 4,-0.4 0.872 100.7 64.1 -64.9 -34.1 -20.8 5.7 34.7 85 24 C L H >< S+ 0 0 33 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.803 90.2 66.8 -60.4 -29.0 -21.7 2.2 35.9 86 25 C K T << S+ 0 0 133 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.805 96.0 56.1 -61.5 -30.8 -18.2 1.9 37.5 87 26 C A T < 0 0 87 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.602 360.0 360.0 -74.4 -13.2 -19.3 4.7 39.9 88 27 C I < 0 0 144 -3,-1.3 -3,-0.0 -4,-0.4 0, 0.0 -0.329 360.0 360.0 -63.9 360.0 -22.3 2.7 41.2