==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-JUN-13 4L8O . COMPND 2 MOLECULE: BILE ACID 7A-DEHYDRATASE, BAIE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM HYLEMONAE DSM 15053; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 162 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 32.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 1 0 0 0 0 0 0 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 M 0 0 169 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.4 -10.0 5.6 5.0 2 2 A S > - 0 0 45 1,-0.1 4,-1.6 4,-0.0 5,-0.1 -0.099 360.0-114.8 -65.6 165.8 -6.8 5.7 3.0 3 3 A I H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.942 119.3 44.3 -61.5 -51.3 -3.7 3.5 3.5 4 4 A E H > S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.825 112.3 52.0 -68.0 -34.8 -1.6 6.5 4.5 5 5 A E H > S+ 0 0 105 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.865 110.6 48.4 -65.3 -39.9 -4.4 7.9 6.7 6 6 A R H X S+ 0 0 150 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.893 113.0 46.8 -69.9 -42.9 -4.7 4.6 8.6 7 7 A L H X S+ 0 0 91 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.848 114.5 48.5 -60.4 -39.5 -0.9 4.4 9.1 8 8 A E H X S+ 0 0 130 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.930 112.2 48.3 -67.5 -47.2 -0.9 8.0 10.2 9 9 A A H X S+ 0 0 53 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.832 114.9 45.6 -60.0 -38.5 -3.8 7.3 12.6 10 10 A L H X S+ 0 0 122 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.868 109.4 55.5 -71.1 -41.1 -2.0 4.2 14.0 11 11 A E H X S+ 0 0 118 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.836 108.6 47.0 -62.0 -36.9 1.3 6.1 14.3 12 12 A K H X S+ 0 0 100 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.834 112.1 51.0 -73.5 -34.2 -0.3 8.8 16.5 13 13 A E H X S+ 0 0 89 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.907 110.2 48.2 -68.3 -44.4 -2.0 6.2 18.7 14 14 A I H X S+ 0 0 110 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.888 111.0 51.8 -61.5 -40.0 1.2 4.2 19.2 15 15 A Q H X S+ 0 0 76 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.926 108.9 50.6 -62.5 -43.8 3.0 7.5 20.1 16 16 A K H X S+ 0 0 85 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.887 111.2 47.7 -59.7 -44.3 0.3 8.3 22.7 17 17 A M H X S+ 0 0 97 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.840 110.5 52.2 -70.2 -31.8 0.6 4.9 24.3 18 18 A K H X S+ 0 0 129 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.898 109.7 50.4 -64.2 -39.6 4.4 5.2 24.4 19 19 A D H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.928 109.2 50.0 -65.6 -48.0 4.0 8.6 26.1 20 20 A I H X S+ 0 0 27 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.903 112.9 47.3 -51.8 -47.6 1.6 7.1 28.7 21 21 A E H X S+ 0 0 112 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.923 111.3 50.1 -64.9 -44.7 4.1 4.3 29.4 22 22 A E H X S+ 0 0 67 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.837 110.5 50.6 -61.2 -38.0 7.1 6.8 29.7 23 23 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.887 110.5 48.1 -68.9 -43.2 5.1 8.9 32.1 24 24 A K H X S+ 0 0 83 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.894 114.1 47.8 -60.5 -40.4 4.2 5.9 34.4 25 25 A K H X S+ 0 0 157 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.914 109.6 53.0 -65.9 -43.1 7.9 4.9 34.2 26 26 A L H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.910 108.9 49.7 -57.3 -47.2 9.0 8.5 35.1 27 27 A K H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.864 109.0 51.6 -62.7 -40.9 6.7 8.5 38.1 28 28 A G H X S+ 0 0 38 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.911 111.4 47.2 -59.6 -44.0 8.1 5.2 39.3 29 29 A Q H X S+ 0 0 44 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.902 110.1 54.7 -62.3 -43.6 11.6 6.5 39.0 30 30 A Y H X S+ 0 0 26 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.941 111.2 42.4 -55.6 -55.2 10.6 9.7 40.8 31 31 A F H X S+ 0 0 26 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.878 114.4 51.3 -62.0 -43.1 9.2 7.8 43.9 32 32 A R H X S+ 0 0 133 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.904 114.0 43.6 -57.9 -46.7 12.2 5.4 43.9 33 33 A C H <>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 4,-0.4 0.846 114.0 51.4 -70.4 -31.7 14.7 8.2 43.9 34 34 A L H ><5S+ 0 0 7 -4,-2.2 3,-0.5 -5,-0.2 -2,-0.2 0.950 117.6 36.5 -67.8 -53.0 12.7 10.3 46.4 35 35 A D H 3<5S+ 0 0 25 -4,-2.4 42,-0.4 1,-0.2 -2,-0.2 0.848 119.9 49.1 -72.0 -35.1 12.5 7.4 49.0 36 36 A G T 3<5S- 0 0 8 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.534 106.0-130.4 -72.9 -10.1 16.0 6.2 48.1 37 37 A K T < 5 + 0 0 26 -3,-0.5 2,-1.2 -4,-0.4 -3,-0.2 0.884 52.8 154.7 54.2 42.1 17.3 9.7 48.5 38 38 A F >< + 0 0 99 -5,-2.4 4,-2.1 -6,-0.2 3,-0.3 -0.706 14.0 171.9 -95.7 77.1 19.0 9.3 45.1 39 39 A W H > + 0 0 30 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.788 65.1 57.6 -70.6 -34.6 19.0 13.0 44.5 40 40 A D H > S+ 0 0 140 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.923 113.7 40.2 -59.6 -45.4 21.2 13.2 41.4 41 41 A E H >4 S+ 0 0 72 -3,-0.3 3,-0.6 2,-0.2 4,-0.4 0.859 111.1 57.4 -75.1 -36.0 18.8 10.9 39.5 42 42 A L H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 4,-0.4 0.875 98.3 61.7 -61.3 -38.5 15.6 12.5 41.0 43 43 A E H >< S+ 0 0 48 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.855 96.0 60.9 -53.5 -36.5 16.8 15.8 39.6 44 44 A T T << S+ 0 0 65 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.640 95.6 61.8 -68.9 -14.8 16.6 14.2 36.1 45 45 A T T < S+ 0 0 0 -3,-1.6 91,-3.1 -4,-0.4 2,-0.4 0.639 90.2 85.3 -80.3 -13.5 12.8 13.6 36.6 46 46 A L B < S-a 136 0A 6 -3,-1.3 91,-0.2 -4,-0.4 81,-0.0 -0.726 85.4-111.0-102.4 135.6 12.0 17.3 36.9 47 47 A S > - 0 0 0 89,-3.2 3,-1.8 -2,-0.4 12,-0.1 -0.295 19.7-127.3 -59.7 143.7 11.4 19.6 34.0 48 48 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 89,-0.0 0.748 113.4 55.9 -57.0 -25.8 14.1 22.3 33.4 49 49 A N T 3 S+ 0 0 100 10,-0.1 -2,-0.1 9,-0.1 88,-0.1 0.327 79.2 135.2 -88.5 2.1 11.2 24.7 33.5 50 50 A I < + 0 0 7 -3,-1.8 9,-3.2 86,-0.1 2,-0.4 -0.320 27.1 177.3 -61.8 128.7 10.0 23.7 37.0 51 51 A V E +E 58 0B 78 86,-0.5 2,-0.3 7,-0.2 7,-0.2 -0.987 9.0 177.2-130.0 130.4 9.1 26.4 39.4 52 52 A T E E 57 0B 48 5,-2.4 5,-3.2 -2,-0.4 86,-0.0 -0.866 360.0 360.0-135.9 155.6 7.8 25.4 42.8 53 53 A S 0 0 126 -2,-0.3 3,-0.2 3,-0.3 -2,-0.0 -0.805 360.0 360.0-121.5 360.0 6.7 27.2 46.1 54 ! 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 55 59 A L 0 0 209 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.5 9.8 31.8 48.6 56 60 A V - 0 0 74 -3,-0.2 2,-0.4 -5,-0.0 -3,-0.3 -0.741 360.0-137.0-110.1 157.9 10.0 29.8 45.4 57 61 A F E -E 52 0B 54 -5,-3.2 -5,-2.4 -2,-0.3 2,-0.5 -0.961 16.8-156.4-111.5 132.1 12.5 27.3 43.9 58 62 A H E > -E 51 0B 106 -2,-0.4 4,-0.5 -7,-0.2 -7,-0.2 -0.958 53.7 -1.2-112.5 123.6 13.5 27.6 40.2 59 63 A G H > S- 0 0 16 -9,-3.2 4,-1.9 -2,-0.5 3,-0.2 0.139 90.5 -70.9 89.3 160.3 14.8 24.6 38.3 60 64 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.789 126.1 53.9 -55.5 -35.2 15.6 20.9 39.1 61 65 A K H > S+ 0 0 143 2,-0.2 4,-2.0 1,-0.2 -2,-0.1 0.900 109.1 45.2 -72.3 -44.6 18.6 21.7 41.3 62 66 A E H X S+ 0 0 91 -4,-0.5 4,-1.9 -3,-0.2 -1,-0.2 0.897 116.9 46.8 -63.7 -40.5 16.9 24.2 43.7 63 67 A V H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.929 115.3 44.3 -66.9 -48.5 13.9 21.8 44.0 64 68 A T H X S+ 0 0 7 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.779 110.2 56.8 -67.9 -30.0 16.0 18.7 44.6 65 69 A D H X S+ 0 0 76 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.895 106.1 50.4 -65.8 -42.5 18.2 20.7 47.0 66 70 A Y H >X S+ 0 0 109 -4,-1.9 4,-2.8 2,-0.2 3,-0.5 0.925 109.2 50.6 -57.1 -48.0 15.1 21.6 49.1 67 71 A F H 3X S+ 0 0 41 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.894 104.2 59.1 -60.6 -39.8 14.1 17.8 49.2 68 72 A K H 3< S+ 0 0 126 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 114.2 36.5 -55.7 -35.7 17.6 16.9 50.4 69 73 A K H << S+ 0 0 150 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.847 118.0 48.7 -87.1 -39.7 17.1 19.2 53.4 70 74 A A H < S+ 0 0 35 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.677 117.8 42.4 -72.7 -18.6 13.4 18.5 54.0 71 75 A M S < S- 0 0 23 -4,-1.9 -1,-0.2 -5,-0.2 6,-0.1 -0.558 83.2-179.9-128.7 65.1 13.9 14.6 53.8 72 76 A P > - 0 0 38 0, 0.0 3,-2.4 0, 0.0 -3,-0.1 -0.111 46.4 -93.4 -68.5 166.4 17.2 13.9 55.8 73 77 A R T 3 S+ 0 0 86 1,-0.3 89,-0.1 -5,-0.1 37,-0.1 0.742 121.9 64.9 -40.4 -36.9 18.8 10.5 56.3 74 78 A E T 3 S+ 0 0 70 35,-0.1 33,-2.7 33,-0.1 2,-0.6 0.374 89.0 77.1 -77.7 -2.1 16.9 10.2 59.6 75 79 A E E < -B 106 0A 23 -3,-2.4 2,-0.6 31,-0.2 31,-0.2 -0.963 65.0-158.9-114.4 113.5 13.5 10.0 57.9 76 80 A I E -B 105 0A 31 29,-2.5 29,-2.6 -2,-0.6 2,-0.4 -0.824 21.7-173.4 -83.6 124.6 12.5 6.8 56.2 77 81 A S E -B 104 0A 4 -2,-0.6 2,-0.4 -42,-0.4 27,-0.2 -0.935 18.9-170.5-122.5 143.9 9.8 7.7 53.7 78 82 A M E -B 103 0A 90 25,-2.3 25,-2.2 -2,-0.4 2,-0.6 -0.967 1.5-175.9-130.3 120.2 7.5 5.6 51.5 79 83 A H E -B 102 0A 43 -2,-0.4 2,-0.6 23,-0.2 23,-0.2 -0.950 13.7-170.5-115.3 106.1 5.5 7.3 48.8 80 84 A M E -B 101 0A 46 21,-3.0 21,-2.3 -2,-0.6 2,-0.3 -0.877 5.1-157.2-113.6 109.8 3.4 4.6 47.3 81 85 A G E -B 100 0A 32 -2,-0.6 2,-0.3 19,-0.2 19,-0.2 -0.722 12.1-173.0 -95.5 140.6 1.4 5.4 44.1 82 86 A H E -B 99 0A 82 17,-1.6 17,-2.4 -2,-0.3 -2,-0.0 -0.945 49.9 -5.7-132.5 150.2 -1.7 3.5 43.0 83 87 A T E S- 0 0 104 -2,-0.3 -1,-0.2 15,-0.2 14,-0.0 0.811 72.2-150.5 39.9 68.5 -4.1 3.2 40.1 84 88 A P E - 0 0 46 0, 0.0 2,-0.5 0, 0.0 14,-0.2 -0.278 13.3-155.1 -64.1 151.7 -2.9 6.1 37.9 85 89 A E E -B 97 0A 127 12,-2.3 12,-2.6 2,-0.0 2,-0.5 -0.912 20.9-172.4-123.0 100.3 -5.2 8.0 35.5 86 90 A I E -B 96 0A 27 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.826 7.9-175.2 -98.2 129.5 -3.0 9.4 32.7 87 91 A T E -B 95 0A 83 8,-3.3 8,-2.9 -2,-0.5 2,-0.7 -0.990 18.1-146.9-124.2 124.4 -4.3 11.8 30.1 88 92 A I E -B 94 0A 34 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.826 16.7-176.4 -86.8 116.5 -2.2 13.0 27.2 89 93 A D E - 0 0 85 4,-1.6 2,-0.3 -2,-0.7 5,-0.2 0.809 64.7 -20.2 -88.9 -35.2 -3.3 16.6 26.6 90 94 A S E > S-B 93 0A 52 3,-2.0 3,-0.7 0, 0.0 -1,-0.3 -0.894 84.1 -77.8-154.1-176.6 -1.2 17.3 23.6 91 95 A E T 3 S+ 0 0 151 -2,-0.3 3,-0.0 1,-0.2 37,-0.0 0.725 132.0 28.8 -63.2 -22.3 2.0 15.9 22.0 92 96 A T T 3 S+ 0 0 76 36,-0.1 37,-2.0 1,-0.1 2,-0.3 0.284 116.4 60.4-120.6 6.5 4.1 17.7 24.7 93 97 A T E < +BC 90 128A 52 -3,-0.7 -3,-2.0 35,-0.2 -4,-1.6 -0.990 52.0 166.9-139.9 146.3 1.8 18.0 27.7 94 98 A A E -BC 88 127A 1 33,-2.0 33,-2.7 -2,-0.3 2,-0.3 -0.976 21.5-144.6-152.7 162.3 0.0 15.5 30.0 95 99 A T E -BC 87 126A 21 -8,-2.9 -8,-3.3 -2,-0.3 2,-0.4 -0.955 17.4-170.4-127.6 146.0 -1.9 15.2 33.2 96 100 A G E -BC 86 125A 0 29,-2.2 29,-3.1 -2,-0.3 2,-0.4 -0.984 12.7-153.5-144.4 127.6 -1.8 12.3 35.6 97 101 A R E -BC 85 124A 106 -12,-2.6 -12,-2.3 -2,-0.4 2,-0.4 -0.860 18.3-179.6 -97.5 135.3 -3.8 11.3 38.7 98 102 A W E - 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