==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 16-MAR-11 3R3K . COMPND 2 MOLECULE: CCHEX-PHI22 HELIX; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.R.ZACCAI,B.H.C.CHI,D.N.WOOLFSON,R.L.BRADY . 90 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 88.9 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 85.6 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 0 0 0 0 1 2 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 87 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 139.4 -2.3 11.4 1.5 2 2 A E H 3> + 0 0 62 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.769 360.0 60.9 -59.9 -26.0 -3.7 8.7 3.7 3 3 A L H 3> S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.860 107.1 45.4 -70.5 -35.2 -0.1 7.2 4.2 4 4 A K H <> S+ 0 0 120 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.837 110.7 54.5 -68.8 -34.5 1.0 10.5 5.7 5 5 A A H X S+ 0 0 29 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.898 107.3 50.4 -68.4 -38.5 -2.2 10.5 7.8 6 6 A I H X S+ 0 0 12 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.924 108.8 50.2 -63.6 -48.6 -1.3 7.1 9.1 7 7 A A H X S+ 0 0 6 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.871 109.7 53.2 -57.6 -38.9 2.2 8.1 10.1 8 8 A Q H X S+ 0 0 92 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.865 107.1 49.3 -65.5 -41.2 0.8 11.1 11.9 9 9 A E H X S+ 0 0 38 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.861 110.2 53.1 -65.3 -34.7 -1.6 9.0 14.0 10 10 A L H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.907 107.1 50.7 -65.5 -43.4 1.3 6.8 14.9 11 11 A K H X S+ 0 0 114 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.872 109.7 51.3 -59.1 -37.2 3.3 9.8 16.0 12 12 A A H X S+ 0 0 36 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.869 107.7 52.0 -70.8 -33.4 0.3 10.8 18.2 13 13 A I H X S+ 0 0 11 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.906 108.0 51.8 -66.3 -40.7 0.2 7.3 19.6 14 14 A A H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.887 106.2 55.1 -60.9 -40.7 3.9 7.6 20.5 15 15 A K H X S+ 0 0 108 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.918 107.7 48.4 -59.2 -46.5 3.1 10.9 22.3 16 16 A E H X S+ 0 0 25 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.852 109.5 52.0 -64.0 -36.0 0.5 9.3 24.5 17 17 A L H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.852 105.4 56.9 -67.2 -34.0 3.0 6.4 25.4 18 18 A K H X S+ 0 0 93 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.939 108.0 46.4 -59.3 -48.8 5.5 9.1 26.3 19 19 A A H X S+ 0 0 25 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.876 110.8 53.2 -63.4 -38.4 2.9 10.5 28.8 20 20 A I H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.897 107.4 51.3 -63.3 -38.8 2.2 7.0 30.1 21 21 A A H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.909 109.1 51.4 -66.9 -39.5 5.9 6.4 30.8 22 22 A X H X S+ 0 0 154 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 110.0 48.1 -60.9 -48.9 6.1 9.7 32.7 23 23 A E H X S+ 0 0 23 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.875 111.7 49.6 -62.1 -39.5 3.2 8.8 35.0 24 24 A L H X S+ 0 0 12 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.861 107.9 54.1 -65.8 -38.0 4.6 5.3 35.7 25 25 A K H X S+ 0 0 66 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.911 108.2 50.6 -61.1 -39.7 7.9 6.9 36.5 26 26 A A H X S+ 0 0 29 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.919 111.0 48.0 -62.6 -44.0 6.0 9.0 39.0 27 27 A I H >< S+ 0 0 44 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.903 106.8 55.9 -62.8 -41.1 4.3 5.9 40.5 28 28 A A H 3< S+ 0 0 31 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.827 107.5 50.7 -61.1 -30.1 7.7 4.1 40.7 29 29 A Q H 3< 0 0 127 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.727 360.0 360.0 -75.7 -24.3 8.8 7.1 42.8 30 30 A G << 0 0 104 -4,-1.0 -3,-0.1 -3,-0.5 30,-0.1 0.701 360.0 360.0 24.7 360.0 5.7 6.7 45.0 31 !* 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 32 1 B G > 0 0 95 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-147.0 -11.5 4.4 1.7 33 2 B E H > + 0 0 170 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.788 360.0 49.8 -73.8 -32.0 -9.4 1.6 3.3 34 3 B L H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.813 111.8 52.2 -76.8 -28.4 -6.3 3.6 4.2 35 4 B K H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.903 106.8 51.5 -70.2 -43.4 -8.5 6.2 5.7 36 5 B A H X S+ 0 0 46 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.876 108.4 52.3 -60.7 -39.5 -10.3 3.5 7.8 37 6 B I H X S+ 0 0 85 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.940 111.5 46.6 -59.8 -47.2 -6.8 2.3 9.0 38 7 B A H X S+ 0 0 8 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.821 109.3 53.8 -64.5 -33.8 -6.0 5.9 10.1 39 8 B Q H X S+ 0 0 112 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.842 108.2 50.9 -72.1 -33.1 -9.3 6.4 11.8 40 9 B E H X S+ 0 0 125 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.857 107.4 52.3 -68.8 -37.5 -8.6 3.2 13.8 41 10 B L H X S+ 0 0 30 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.864 108.3 52.5 -66.6 -33.8 -5.2 4.5 14.9 42 11 B K H X S+ 0 0 94 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.900 108.0 49.5 -67.6 -40.8 -6.9 7.7 16.0 43 12 B A H X S+ 0 0 43 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.897 110.6 51.8 -62.6 -38.6 -9.3 5.7 18.1 44 13 B I H X S+ 0 0 81 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.902 108.1 50.7 -63.4 -43.3 -6.3 3.8 19.5 45 14 B A H X S+ 0 0 6 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.898 107.3 55.2 -59.4 -42.6 -4.7 7.2 20.4 46 15 B K H X S+ 0 0 96 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.888 107.0 49.2 -58.1 -42.7 -7.9 8.2 22.2 47 16 B E H X S+ 0 0 128 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.896 108.1 54.1 -64.9 -38.6 -7.8 5.1 24.4 48 17 B L H X S+ 0 0 27 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.839 103.2 57.3 -65.0 -34.5 -4.2 5.8 25.3 49 18 B K H X S+ 0 0 102 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.897 106.9 48.1 -57.2 -45.7 -5.1 9.3 26.4 50 19 B A H X S+ 0 0 48 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.919 110.6 51.6 -67.2 -37.8 -7.6 7.8 28.9 51 20 B I H X S+ 0 0 85 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.908 109.1 49.9 -63.7 -40.9 -4.9 5.4 30.1 52 21 B A H X S+ 0 0 11 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.887 111.0 51.8 -63.2 -37.7 -2.5 8.2 30.6 53 22 B X H X S+ 0 0 174 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.936 109.9 46.0 -66.1 -49.4 -5.3 10.1 32.6 54 23 B E H X S+ 0 0 107 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.912 111.7 53.0 -60.7 -40.2 -6.0 7.2 34.9 55 24 B L H X S+ 0 0 29 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.860 106.1 53.6 -61.2 -35.4 -2.3 6.7 35.5 56 25 B K H X S+ 0 0 103 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.914 108.7 49.8 -64.3 -41.6 -2.1 10.4 36.4 57 26 B A H < S+ 0 0 40 -4,-2.0 3,-0.2 2,-0.2 -2,-0.2 0.913 111.2 47.8 -60.7 -45.9 -4.8 9.8 38.9 58 27 B I H < S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 107.4 56.5 -63.9 -38.8 -3.0 6.8 40.4 59 28 B A H < S+ 0 0 30 -4,-2.4 2,-2.9 1,-0.2 -1,-0.2 0.830 88.3 80.6 -61.7 -30.0 0.2 8.8 40.6 60 29 B Q < 0 0 142 -4,-1.3 -1,-0.2 -3,-0.2 -3,-0.1 -0.325 360.0 360.0 -76.1 62.9 -1.7 11.3 42.6 61 30 B G 0 0 115 -2,-2.9 -1,-0.2 0, 0.0 -2,-0.1 0.953 360.0 360.0 -82.4 360.0 -1.2 9.1 45.7 62 !* 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 63 1 C G > 0 0 96 0, 0.0 4,-1.6 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-145.3 9.0 8.2 1.6 64 2 C E H > + 0 0 99 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.785 360.0 55.0 -76.6 -34.2 5.8 7.3 3.5 65 3 C L H > S+ 0 0 124 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.812 112.1 47.7 -69.6 -30.4 6.3 3.6 4.1 66 4 C K H > S+ 0 0 144 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.882 107.2 54.5 -76.1 -40.2 9.6 4.5 5.8 67 5 C A H X S+ 0 0 37 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.895 107.8 52.2 -58.9 -38.9 8.0 7.2 7.9 68 6 C I H X S+ 0 0 28 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.914 109.2 48.0 -63.5 -43.5 5.5 4.7 9.1 69 7 C A H X S+ 0 0 48 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.840 108.4 56.4 -65.8 -34.2 8.3 2.2 10.2 70 8 C Q H X S+ 0 0 88 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.885 107.1 47.4 -65.2 -42.7 10.1 5.1 11.9 71 9 C E H X S+ 0 0 39 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.830 108.5 54.6 -68.3 -33.4 7.0 5.9 14.1 72 10 C L H X S+ 0 0 87 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.928 107.5 52.2 -64.8 -40.1 6.6 2.2 14.9 73 11 C K H X S+ 0 0 144 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.930 109.2 48.4 -53.7 -51.4 10.2 2.3 16.1 74 12 C A H X S+ 0 0 35 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.807 110.2 52.5 -65.0 -30.5 9.4 5.3 18.3 75 13 C I H X S+ 0 0 22 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.917 108.5 49.4 -67.8 -43.8 6.4 3.5 19.7 76 14 C A H X S+ 0 0 60 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.877 108.5 55.4 -61.9 -37.0 8.5 0.4 20.6 77 15 C K H X S+ 0 0 148 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.893 107.8 47.1 -64.3 -38.2 11.0 2.7 22.3 78 16 C E H X S+ 0 0 29 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.857 110.5 53.1 -71.0 -35.1 8.3 4.2 24.5 79 17 C L H X S+ 0 0 84 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.822 105.1 54.7 -70.4 -33.8 7.0 0.7 25.4 80 18 C K H X S+ 0 0 127 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.913 108.4 48.7 -65.0 -42.0 10.5 -0.4 26.4 81 19 C A H X S+ 0 0 35 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.843 109.5 53.2 -67.9 -30.9 10.6 2.6 28.8 82 20 C I H X S+ 0 0 21 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.947 106.8 52.2 -65.4 -42.6 7.1 1.6 30.1 83 21 C A H X S+ 0 0 57 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.895 109.4 49.6 -61.2 -41.4 8.4 -2.0 30.7 84 22 C X H X S+ 0 0 165 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.888 108.4 51.4 -67.6 -40.9 11.4 -0.6 32.8 85 23 C E H X S+ 0 0 50 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.912 111.8 48.5 -60.7 -40.0 9.2 1.6 34.9 86 24 C L H X S+ 0 0 83 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.861 108.8 52.5 -68.0 -36.3 6.9 -1.4 35.7 87 25 C K H X S+ 0 0 131 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.941 108.8 50.5 -63.9 -44.7 10.0 -3.5 36.5 88 26 C A H X S+ 0 0 42 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.942 112.7 46.9 -54.1 -47.5 11.0 -0.8 39.0 89 27 C I H < S+ 0 0 51 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.850 108.7 54.1 -63.9 -35.7 7.5 -0.9 40.4 90 28 C A H < S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.805 111.9 45.9 -69.9 -26.5 7.6 -4.7 40.6 91 29 C Q H < 0 0 156 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.741 360.0 360.0 -84.8 -24.6 10.8 -4.4 42.6 92 30 C G < 0 0 83 -4,-1.6 -4,-0.0 -5,-0.2 -1,-0.0 -0.619 360.0 360.0 175.0 360.0 9.4 -1.7 44.9