==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 09-OCT-12 2YMK . COMPND 2 MOLECULE: DCD-1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.ZETH . 140 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140100.0 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 . 23 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 83.6 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 0 0 0 3 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 3 A L 0 0 205 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -21.7 -43.9 28.0 17.7 2 4 A L >> + 0 0 148 2,-0.2 4,-1.9 3,-0.1 3,-0.7 0.906 360.0 47.8 -82.8 -52.2 -42.3 31.4 18.6 3 5 A E H >> S+ 0 0 122 1,-0.3 4,-2.3 2,-0.2 3,-0.7 0.958 109.5 55.4 -55.1 -46.6 -39.8 30.2 21.1 4 6 A K H 34 S+ 0 0 175 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.794 107.9 50.5 -60.9 -25.7 -38.8 27.6 18.7 5 7 A G H <> S+ 0 0 42 -3,-0.7 4,-2.2 -4,-0.4 -1,-0.3 0.796 105.5 52.8 -85.0 -30.2 -38.2 30.4 16.1 6 8 A L H S+ 0 0 38 -5,-0.2 4,-2.5 -3,-0.2 3,-0.2 0.917 111.0 41.1 -82.1 -57.8 -33.8 29.2 15.1 9 11 A A H X S+ 0 0 60 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.888 113.7 54.7 -54.1 -45.0 -32.5 32.7 14.6 10 12 A K H X S+ 0 0 152 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.863 111.7 44.4 -56.4 -38.7 -30.1 32.2 17.6 11 13 A K H X S+ 0 0 178 -4,-0.6 4,-2.0 -3,-0.2 -2,-0.2 0.860 112.4 53.0 -75.6 -31.5 -28.7 29.1 16.0 12 14 A A H X S+ 0 0 54 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.988 109.9 48.0 -61.6 -57.7 -28.5 30.9 12.6 13 15 A V H X S+ 0 0 98 -4,-3.3 4,-2.7 2,-0.2 -2,-0.2 0.892 111.5 48.4 -44.9 -54.0 -26.5 33.7 14.2 14 16 A G H X S+ 0 0 43 -4,-1.9 4,-3.6 1,-0.2 -1,-0.2 0.959 113.3 47.5 -56.0 -56.8 -24.0 31.4 16.0 15 17 A G H X S+ 0 0 37 -4,-2.0 4,-3.1 1,-0.3 -1,-0.2 0.863 112.5 49.9 -49.4 -42.3 -23.5 29.4 12.8 16 18 A L H X S+ 0 0 120 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.3 0.903 112.8 46.6 -69.1 -36.8 -23.0 32.6 10.9 17 19 A G H X S+ 0 0 35 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.879 112.6 50.0 -68.7 -40.0 -20.6 33.8 13.5 18 20 A K H X S+ 0 0 126 -4,-3.6 4,-1.1 2,-0.2 -2,-0.2 0.920 111.8 48.1 -60.5 -49.1 -18.8 30.4 13.3 19 21 A L H < S+ 0 0 112 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.833 113.9 49.3 -56.2 -39.0 -18.6 30.7 9.5 20 22 A G H >X S+ 0 0 33 -4,-1.7 4,-2.3 -5,-0.2 3,-1.5 0.925 107.7 47.3 -73.6 -49.4 -17.3 34.2 9.8 21 23 A K H 3X S+ 0 0 160 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.747 109.0 60.0 -61.6 -23.9 -14.4 33.8 12.4 22 24 A D H 3< S+ 0 0 66 -4,-1.1 4,-0.3 -5,-0.2 -1,-0.2 0.488 106.0 47.5 -80.9 -7.4 -13.4 30.8 10.2 23 25 A A H X> S+ 0 0 49 -3,-1.5 4,-2.7 2,-0.1 3,-0.7 0.805 110.6 49.0 -90.1 -54.8 -13.0 33.2 7.3 24 26 A V H 3X S+ 0 0 90 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.931 112.6 50.3 -47.5 -45.1 -11.0 35.7 9.3 25 27 A E H 3X S+ 0 0 128 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.786 111.4 47.2 -67.4 -30.3 -8.8 32.9 10.5 26 28 A D H <> S+ 0 0 91 -3,-0.7 4,-1.4 -4,-0.3 -1,-0.2 0.752 111.9 50.9 -83.6 -25.6 -8.2 31.5 7.0 27 29 A L H X S+ 0 0 121 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.923 110.5 46.2 -75.5 -42.3 -7.4 35.0 5.7 28 30 A E H X S+ 0 0 100 -4,-2.8 4,-3.1 -5,-0.3 5,-0.2 0.944 113.4 51.7 -63.5 -38.8 -4.8 35.9 8.3 29 31 A S H X S+ 0 0 70 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.819 108.8 50.0 -64.5 -40.8 -3.3 32.5 7.8 30 32 A V H X S+ 0 0 93 -4,-1.4 4,-2.1 2,-0.2 3,-0.2 0.989 113.2 45.9 -48.9 -81.1 -3.1 33.0 4.1 31 33 A G H >X S+ 0 0 37 -4,-1.6 4,-2.3 1,-0.2 3,-0.9 0.851 114.6 47.7 -22.0 -66.1 -1.4 36.5 4.5 32 34 A K H 3X S+ 0 0 130 -4,-3.1 4,-3.4 1,-0.3 -1,-0.2 0.916 110.2 50.9 -59.7 -48.9 1.1 35.2 7.1 33 35 A G H 3X S+ 0 0 31 -4,-1.9 4,-2.9 -3,-0.2 -1,-0.3 0.797 108.6 55.1 -48.7 -31.9 2.0 32.2 4.9 34 36 A A H < S+ 0 0 90 -4,-0.7 3,-0.7 -3,-0.3 -1,-0.2 0.921 110.0 51.2 -90.9 -46.6 12.4 32.9 -1.3 42 44 A L H 3< S+ 0 0 130 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.483 109.8 62.5 -62.1 2.3 14.2 36.1 -0.6 43 45 A D H >< S+ 0 0 86 -4,-0.5 3,-1.1 -5,-0.2 -1,-0.2 0.784 88.9 57.0 -99.7 -38.1 16.3 33.6 1.5 44 46 A S T << S+ 0 0 106 -4,-0.8 -2,-0.1 -3,-0.7 -1,-0.1 0.375 107.3 61.2 -67.2 9.7 17.7 31.3 -1.2 45 47 A V T 3 0 0 112 -4,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.265 360.0 360.0-135.2 30.8 18.9 34.7 -2.3 46 48 A L < 0 0 178 -3,-1.1 -3,-0.1 0, 0.0 -4,-0.0 -0.504 360.0 360.0 -90.8 360.0 21.1 35.5 0.9 47 !* 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 48 2 B S >> 0 0 109 0, 0.0 3,-1.8 0, 0.0 4,-1.5 0.000 360.0 360.0 360.0 98.2 -35.8 23.9 41.6 49 3 B L H >> + 0 0 169 1,-0.3 4,-3.2 2,-0.2 3,-0.5 0.826 360.0 51.1 -39.9 -51.3 -33.8 20.6 41.5 50 4 B L H 3> S+ 0 0 137 1,-0.3 4,-1.7 2,-0.3 -1,-0.3 0.701 107.7 49.8 -63.9 -31.5 -34.4 20.1 37.8 51 5 B E H <> S+ 0 0 100 -3,-1.8 4,-1.3 2,-0.2 -1,-0.3 0.704 115.1 46.2 -78.1 -21.2 -33.3 23.6 36.9 52 6 B K H X S+ 0 0 112 -4,-1.7 4,-2.0 1,-0.3 3,-0.9 0.902 108.8 50.6 -57.0 -48.5 -29.7 21.0 33.9 55 9 B D H 3X S+ 0 0 45 -4,-1.3 4,-2.8 1,-0.3 -1,-0.3 0.841 104.1 60.2 -62.7 -32.7 -27.3 23.9 34.7 56 10 B G H 3X S+ 0 0 43 -4,-2.2 4,-1.8 -3,-0.3 -1,-0.3 0.858 108.7 45.0 -52.6 -37.6 -25.1 21.2 36.2 57 11 B A H X S+ 0 0 40 -4,-3.8 4,-1.6 2,-0.2 3,-0.8 0.976 117.9 35.7 -51.9 -61.7 -15.7 22.0 25.6 66 20 B K H 3X S+ 0 0 154 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.832 118.0 55.4 -63.3 -26.9 -13.1 24.4 27.0 67 21 B L H 3X S+ 0 0 107 -4,-4.1 4,-1.2 1,-0.2 -1,-0.2 0.694 107.2 48.5 -76.0 -24.6 -11.1 21.4 28.1 68 22 B G H X S+ 0 0 89 -4,-2.1 4,-1.9 2,-0.2 3,-1.4 0.983 112.1 49.6 -62.2 -71.7 -6.2 21.0 20.7 73 27 B E H 3X S+ 0 0 127 -4,-1.7 4,-2.2 1,-0.3 -1,-0.2 0.785 112.8 52.1 -26.5 -48.4 -4.2 24.2 21.2 74 28 B D H 3X S+ 0 0 79 -4,-3.3 4,-2.0 2,-0.2 -1,-0.3 0.884 108.2 50.1 -62.2 -44.4 -1.6 22.0 22.9 75 29 B L H X S+ 0 0 98 -4,-2.0 4,-2.2 -5,-0.2 3,-0.6 0.995 112.4 44.1 -62.6 -55.8 3.3 20.6 19.7 79 33 B G H 3X S+ 0 0 40 -4,-3.3 4,-2.2 1,-0.3 -2,-0.2 0.949 119.1 44.8 -53.2 -46.8 3.1 19.9 16.0 80 34 B K H 3X S+ 0 0 134 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.3 0.747 108.6 58.5 -69.3 -26.3 4.4 23.4 15.3 81 35 B G H X S+ 0 0 86 -4,-2.2 4,-2.2 -5,-0.3 3,-2.1 0.959 111.4 42.5 -46.1 -73.5 8.5 21.7 13.0 84 38 B H H 3X S+ 0 0 103 -4,-1.9 4,-1.5 1,-0.3 -1,-0.2 0.849 113.5 55.8 -40.3 -46.0 10.3 25.0 14.1 85 39 B D H 3X S+ 0 0 101 -4,-2.6 4,-1.5 1,-0.2 -1,-0.3 0.796 109.3 45.5 -59.3 -33.5 12.7 22.8 16.1 86 40 B V H < S+ 0 0 115 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.825 112.2 50.7 -69.0 -33.0 18.4 21.7 9.3 91 45 B D H >< S+ 0 0 89 -4,-1.5 3,-1.4 -5,-0.2 -1,-0.2 0.799 100.2 64.7 -60.9 -41.3 19.5 25.3 9.4 92 46 B S T 3< S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.443 102.4 50.1 -66.9 -0.8 22.4 24.2 11.7 93 47 B V T < 0 0 117 -3,-0.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.386 360.0 360.0-130.8 46.5 23.5 22.3 8.7 94 48 B L < 0 0 158 -3,-1.4 -3,-0.1 0, 0.0 -4,-0.0 -0.549 360.0 360.0 -71.9 360.0 23.2 25.5 6.5 95 !* 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 96 2 C S > 0 0 120 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 143.7 -38.7 44.8 34.8 97 3 C L H > + 0 0 166 1,-0.2 4,-2.0 2,-0.2 5,-0.0 0.821 360.0 64.6 -50.2 -36.0 -35.7 47.0 35.7 98 4 C L H > S+ 0 0 130 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.936 101.1 40.8 -56.3 -61.8 -34.4 43.7 37.2 99 5 C E H > S+ 0 0 113 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.844 120.1 48.0 -61.0 -29.2 -34.0 41.5 34.1 100 6 C K H X S+ 0 0 142 -4,-1.5 4,-1.0 2,-0.2 -1,-0.3 0.768 109.0 54.0 -86.9 -23.8 -32.7 44.5 32.3 101 7 C G H >X S+ 0 0 42 -4,-2.0 4,-1.4 -5,-0.2 3,-1.2 0.995 110.9 45.1 -57.0 -64.4 -30.4 45.1 35.2 102 8 C L H 3X S+ 0 0 99 -4,-2.8 4,-2.9 1,-0.3 -2,-0.2 0.684 110.8 53.2 -56.2 -30.3 -29.0 41.6 35.0 103 9 C D H 3X S+ 0 0 45 -4,-1.4 4,-3.8 2,-0.2 -1,-0.3 0.762 107.5 53.1 -75.4 -33.5 -28.6 41.8 31.2 104 10 C G H X S+ 0 0 161 -4,-3.8 4,-1.9 1,-0.2 3,-0.6 0.953 114.4 45.1 -55.6 -47.5 -23.6 42.7 28.8 108 14 C A H 3X S+ 0 0 53 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.865 107.3 57.8 -63.8 -39.1 -20.8 44.3 31.0 109 15 C V H 3X S+ 0 0 102 -4,-3.5 4,-1.0 1,-0.2 -1,-0.2 0.843 111.1 43.4 -55.9 -34.3 -19.4 40.9 32.0 110 16 C G H X S+ 0 0 44 -4,-1.9 3,-2.5 -5,-0.2 4,-1.9 0.992 110.5 43.1 -59.5 -61.0 -17.5 43.6 27.5 112 18 C L H 3X S+ 0 0 133 -4,-2.4 4,-2.9 1,-0.3 -1,-0.2 0.846 107.0 64.1 -50.9 -35.0 -14.7 43.3 30.1 113 19 C G H 3X S+ 0 0 40 -4,-1.0 4,-1.0 -5,-0.3 -1,-0.3 0.606 105.6 43.1 -73.8 -9.1 -14.2 39.8 28.9 114 20 C K H S+ 0 0 121 -4,-0.5 4,-2.2 -5,-0.2 5,-0.3 0.912 108.2 56.3 -86.4 -47.4 -3.6 38.6 23.1 122 28 C D H X S+ 0 0 93 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.885 109.9 53.1 -41.8 -32.8 -2.1 41.9 22.4 123 29 C L H X S+ 0 0 117 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.908 104.1 51.9 -72.3 -41.2 0.4 40.7 25.1 124 30 C E H X S+ 0 0 103 -4,-1.2 4,-2.2 1,-0.2 5,-0.2 0.858 110.6 49.6 -63.4 -32.5 1.2 37.4 23.5 125 31 C S H X S+ 0 0 75 -4,-2.2 4,-3.6 2,-0.2 5,-0.2 0.953 108.8 50.5 -80.5 -40.0 2.0 39.1 20.3 126 32 C V H X S+ 0 0 97 -4,-1.9 4,-3.6 -5,-0.3 -2,-0.2 0.979 113.1 46.8 -54.8 -58.9 4.3 41.7 21.9 127 33 C G H X S+ 0 0 40 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.853 118.6 40.6 -44.0 -47.4 6.2 38.9 23.7 128 34 C K H X S+ 0 0 143 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.722 115.3 53.1 -81.1 -26.3 6.4 36.8 20.5 129 35 C G H >X S+ 0 0 29 -4,-3.6 4,-2.8 -5,-0.2 3,-0.6 0.956 107.4 51.2 -64.7 -55.1 7.1 40.0 18.4 130 36 C A H 3X S+ 0 0 56 -4,-3.6 4,-1.7 1,-0.2 -2,-0.2 0.952 111.0 47.6 -45.7 -62.0 9.9 40.9 20.7 131 37 C V H 3X S+ 0 0 93 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.711 112.3 48.5 -54.7 -34.2 11.6 37.5 20.4 132 38 C H H X S+ 0 0 79 -4,-1.7 4,-1.6 -5,-0.3 3,-1.1 0.967 108.5 50.2 -71.6 -63.5 15.6 39.9 18.5 135 41 C K H 3< S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.809 102.7 62.7 -40.2 -34.4 16.4 36.8 16.6 136 42 C D H >X S+ 0 0 87 -4,-1.9 3,-1.3 1,-0.2 4,-0.6 0.971 102.9 50.2 -61.3 -42.8 16.3 39.0 13.5 137 43 C V H XX S+ 0 0 85 -3,-1.1 3,-0.8 -4,-1.0 4,-0.6 0.866 99.0 64.0 -63.9 -37.8 19.3 40.9 15.0 138 44 C L H 3< S+ 0 0 117 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.118 99.7 59.7 -72.2 24.8 21.1 37.6 15.6 139 45 C D H <4 S+ 0 0 91 -3,-1.3 3,-0.3 2,-0.1 -1,-0.2 0.615 91.4 56.4-124.5 -25.6 21.1 37.3 11.8 140 46 C S H << S+ 0 0 111 -3,-0.8 -2,-0.1 -4,-0.6 -3,-0.1 0.657 116.1 48.3 -67.7 -13.9 23.1 40.4 10.5 141 47 C V < 0 0 113 -4,-0.6 -1,-0.2 0, 0.0 -2,-0.1 0.419 360.0 360.0-107.8 -11.1 25.6 38.7 12.9 142 48 C L 0 0 149 -3,-0.3 -3,-0.1 -5,-0.1 0, 0.0 -0.146 360.0 360.0 -73.5 360.0 25.3 35.1 11.6