==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-MAY-07 2Q3J . COMPND 2 MOLECULE: FERROCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR T.KARLBERG,O.H.THORVALDSEN,S.AL-KARADAGHI . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 4.2 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 2 0 0 0 1 1 1 0 1 1 2 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 1 2 1 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 5 A K 0 0 154 0, 0.0 101,-0.4 0, 0.0 102,-0.4 0.000 360.0 360.0 360.0 103.9 5.9 -12.9 -15.3 2 6 A M E -a 76 0A 21 73,-2.1 75,-1.8 99,-0.1 2,-0.2 -0.797 360.0-118.3-107.1 147.7 4.6 -9.8 -13.5 3 7 A G E -ab 77 104A 0 100,-2.7 102,-3.1 -2,-0.3 2,-0.5 -0.572 15.4-160.4 -83.3 142.4 6.4 -7.6 -11.1 4 8 A L E -ab 78 105A 0 73,-2.9 75,-2.7 -2,-0.2 2,-0.8 -0.901 10.1-167.1-122.5 95.3 5.1 -7.1 -7.5 5 9 A L E -ab 79 106A 0 100,-2.4 102,-2.2 -2,-0.5 2,-0.6 -0.791 3.9-170.5 -89.4 109.3 6.6 -3.9 -6.2 6 10 A V E -ab 80 107A 1 73,-2.3 75,-2.7 -2,-0.8 2,-0.3 -0.896 8.6-171.1-102.6 121.4 6.1 -3.8 -2.4 7 11 A M E +ab 81 108A 0 100,-2.5 102,-3.1 -2,-0.6 2,-0.3 -0.858 13.3 158.0-118.9 150.8 6.9 -0.4 -0.8 8 12 A A E -a 82 0A 11 73,-1.4 75,-1.7 -2,-0.3 76,-0.2 -0.969 52.9 -99.2-157.4 166.4 7.3 0.8 2.7 9 13 A Y - 0 0 90 -2,-0.3 75,-2.0 73,-0.2 76,-0.2 0.912 68.1-135.2 -56.7 -46.0 8.9 3.6 4.7 10 14 A G - 0 0 5 73,-0.2 -1,-0.1 72,-0.1 43,-0.0 0.005 17.5-137.0 103.0 151.0 11.7 1.3 5.8 11 15 A T - 0 0 6 42,-0.1 7,-0.0 -3,-0.0 45,-0.0 -0.991 36.8 -90.0-141.9 144.3 13.6 0.3 8.9 12 16 A P - 0 0 0 0, 0.0 41,-0.5 0, 0.0 3,-0.1 -0.273 23.9-153.3 -57.4 139.7 17.4 -0.3 9.4 13 17 A Y S S+ 0 0 58 1,-0.2 2,-0.3 40,-0.1 41,-0.1 0.720 82.7 26.3 -83.4 -25.5 18.5 -3.9 8.8 14 18 A K S > S- 0 0 121 1,-0.1 3,-2.0 35,-0.0 4,-0.3 -0.971 79.7-121.0-136.9 150.9 21.5 -3.5 11.2 15 19 A E G > S+ 0 0 106 -2,-0.3 3,-1.9 1,-0.3 4,-0.4 0.849 112.0 67.0 -60.1 -32.4 22.1 -1.2 14.1 16 20 A E G 3 S+ 0 0 157 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.631 97.4 56.9 -63.6 -10.6 25.1 0.2 12.2 17 21 A D G <> S+ 0 0 28 -3,-2.0 4,-2.1 1,-0.1 -1,-0.3 0.478 76.8 93.0 -98.8 -5.9 22.6 1.6 9.7 18 22 A I H <> S+ 0 0 1 -3,-1.9 4,-1.9 -4,-0.3 -1,-0.1 0.907 84.8 51.6 -55.6 -45.0 20.6 3.7 12.2 19 23 A E H > S+ 0 0 79 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.943 111.2 43.9 -59.1 -54.1 22.6 6.8 11.6 20 24 A R H > S+ 0 0 92 -4,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.866 110.8 56.5 -60.7 -36.9 22.4 6.9 7.8 21 25 A Y H X S+ 0 0 7 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.919 109.1 47.4 -58.9 -42.0 18.7 6.0 8.0 22 26 A Y H X S+ 0 0 40 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.912 111.0 50.6 -66.0 -44.7 18.3 9.2 10.1 23 27 A T H <>S+ 0 0 25 -4,-2.4 5,-1.6 1,-0.2 6,-0.7 0.947 109.1 51.5 -58.5 -49.7 20.4 11.3 7.7 24 28 A H H ><5S+ 0 0 66 -4,-3.1 3,-1.2 1,-0.2 -1,-0.2 0.898 111.3 47.0 -55.1 -43.9 18.3 10.1 4.8 25 29 A I H 3<5S+ 0 0 48 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.870 111.1 52.2 -67.1 -35.5 15.1 11.0 6.7 26 30 A R T 3<5S- 0 0 73 -4,-2.4 3,-0.4 3,-0.2 -1,-0.3 0.339 117.3-119.2 -82.8 9.2 16.7 14.4 7.5 27 31 A R T < 5S- 0 0 205 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.894 80.4 -23.0 55.4 51.7 17.4 14.8 3.8 28 32 A G S - 0 0 105 1,-0.1 4,-3.3 -3,-0.1 5,-0.3 -0.442 41.3-107.9 -67.0 145.7 23.0 15.5 16.2 33 37 A P H > S+ 0 0 95 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.868 120.0 40.7 -40.9 -53.6 25.0 13.1 18.5 34 38 A E H > S+ 0 0 118 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.936 114.0 52.4 -63.8 -48.7 22.3 13.2 21.2 35 39 A M H > S+ 0 0 42 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.906 112.9 46.0 -54.1 -43.6 19.4 13.1 18.7 36 40 A L H >X S+ 0 0 16 -4,-3.3 4,-2.2 1,-0.2 3,-0.7 0.912 111.2 51.6 -66.3 -43.0 21.0 10.0 17.1 37 41 A Q H 3X S+ 0 0 87 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.845 104.9 57.8 -62.9 -34.8 21.7 8.4 20.5 38 42 A D H 3X S+ 0 0 86 -4,-2.7 4,-1.3 2,-0.2 -1,-0.3 0.773 107.0 46.9 -68.1 -26.6 18.0 9.0 21.4 39 43 A L H S+ 0 0 6 -4,-1.9 5,-2.7 2,-0.2 -1,-0.2 0.881 112.9 45.6 -65.3 -37.4 15.4 0.7 19.3 44 48 A E H ><5S+ 0 0 117 -4,-1.6 3,-2.7 3,-0.2 -2,-0.2 0.922 105.1 62.4 -68.6 -45.3 17.1 -0.9 22.3 45 49 A A H 3<5S+ 0 0 70 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.811 105.9 46.2 -49.7 -34.6 14.2 -0.1 24.5 46 50 A I T 3<5S- 0 0 36 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.297 133.1 -84.5 -95.1 9.8 12.0 -2.3 22.3 47 51 A G T < 5S- 0 0 69 -3,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.498 82.1 -52.5 106.1 3.4 14.4 -5.3 22.2 48 52 A G < - 0 0 23 -5,-2.7 4,-0.3 -6,-0.2 -4,-0.1 -0.146 48.2-101.8 110.2 153.2 16.8 -4.3 19.4 49 53 A I S >> S+ 0 0 11 1,-0.2 3,-1.2 2,-0.1 4,-0.6 0.849 95.5 92.3 -79.3 -33.9 16.4 -3.3 15.7 50 54 A S H 3> S+ 0 0 82 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.706 85.2 45.1 -25.6 -59.5 17.3 -6.7 14.3 51 55 A P H >> S+ 0 0 68 0, 0.0 4,-1.1 0, 0.0 3,-0.8 0.852 98.4 72.1 -62.5 -40.4 13.7 -8.2 14.0 52 56 A L H X> S+ 0 0 3 -3,-1.2 4,-0.8 -4,-0.3 3,-0.7 0.855 95.0 47.3 -45.9 -54.5 12.0 -5.2 12.5 53 57 A A H 3X S+ 0 0 2 -4,-0.6 4,-1.2 -41,-0.5 -1,-0.2 0.785 105.0 63.5 -63.7 -26.3 13.4 -5.2 8.9 54 58 A Q H -c 82 0A 64 -7,-0.2 4,-2.3 1,-0.1 3,-0.5 -0.319 30.3-104.6 -72.5 160.9 15.5 2.1 -2.4 89 93 A I H > S+ 0 0 3 -7,-1.5 4,-1.8 1,-0.3 5,-0.2 0.893 123.3 48.3 -49.4 -48.8 12.3 2.4 -4.5 90 94 A E H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.805 109.0 53.8 -67.1 -29.1 14.3 3.5 -7.6 91 95 A D H > S+ 0 0 78 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.889 107.7 50.9 -71.1 -38.4 16.7 0.6 -7.1 92 96 A A H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.878 111.6 46.3 -66.6 -38.1 13.9 -1.9 -7.0 93 97 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.922 110.6 53.5 -69.4 -42.8 12.4 -0.5 -10.3 94 98 A A H X S+ 0 0 38 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.883 110.2 48.3 -57.4 -41.9 15.8 -0.5 -11.9 95 99 A E H X S+ 0 0 98 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.845 108.8 51.7 -69.6 -35.4 16.2 -4.2 -10.9 96 100 A M H <>S+ 0 0 0 -4,-1.7 5,-2.1 2,-0.2 4,-0.3 0.934 112.9 47.2 -65.3 -42.4 12.8 -5.1 -12.3 97 101 A H H ><5S+ 0 0 70 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.916 110.8 50.4 -62.9 -45.6 13.7 -3.4 -15.5 98 102 A K H 3<5S+ 0 0 167 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.877 107.3 56.3 -61.2 -36.2 17.1 -5.2 -15.6 99 103 A D T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.514 120.5-107.0 -75.1 -6.1 15.3 -8.5 -15.0 100 104 A G T < 5 + 0 0 55 -3,-1.4 -3,-0.2 -4,-0.3 2,-0.2 0.486 64.3 153.7 95.0 2.3 13.1 -8.0 -18.1 101 105 A I < + 0 0 10 -5,-2.1 -1,-0.3 -6,-0.2 -99,-0.1 -0.458 15.8 174.8 -66.9 132.5 9.8 -7.3 -16.3 102 106 A T + 0 0 83 -101,-0.4 34,-2.5 1,-0.3 2,-0.4 0.582 65.7 41.3-113.9 -17.5 7.5 -5.1 -18.5 103 107 A E E + d 0 136A 112 -102,-0.4 -100,-2.7 32,-0.2 2,-0.3 -0.997 65.8 168.9-133.1 138.2 4.4 -5.1 -16.3 104 108 A A E -bd 3 137A 3 32,-2.3 34,-3.1 -2,-0.4 2,-0.4 -0.995 24.1-147.3-149.1 152.4 4.2 -4.6 -12.6 105 109 A V E -bd 4 138A 0 -102,-3.1 -100,-2.4 -2,-0.3 2,-0.3 -0.962 21.5-159.7-118.4 135.1 1.7 -4.0 -9.8 106 110 A S E +bd 5 139A 0 32,-2.6 34,-2.3 -2,-0.4 2,-0.3 -0.831 11.9 179.0-117.2 157.6 2.7 -2.0 -6.8 107 111 A I E -b 6 0A 0 -102,-2.2 -100,-2.5 -2,-0.3 2,-0.4 -0.965 20.1-137.3-154.9 137.3 1.3 -1.7 -3.3 108 112 A V E -b 7 0A 4 -2,-0.3 2,-2.0 32,-0.3 -100,-0.2 -0.782 22.6-123.8 -97.4 142.8 2.4 0.3 -0.3 109 113 A L S S+ 0 0 15 -102,-3.1 146,-0.4 -2,-0.4 -100,-0.2 -0.367 90.6 83.9 -84.2 59.6 2.4 -1.2 3.2 110 114 A A - 0 0 22 -2,-2.0 -2,-0.2 144,-0.1 144,-0.1 -0.801 69.7-149.8-160.6 110.6 0.2 1.5 4.6 111 115 A P S S+ 0 0 0 0, 0.0 32,-1.9 0, 0.0 33,-1.8 0.673 74.6 73.2 -60.0 -26.4 -3.6 1.1 4.0 112 116 A H S S- 0 0 3 141,-0.2 2,-0.2 30,-0.2 80,-0.1 -0.772 80.5-125.6 -99.1 140.7 -4.5 4.8 3.8 113 117 A F + 0 0 28 -2,-0.4 2,-0.3 78,-0.1 82,-0.2 -0.536 38.6 158.2 -77.9 147.3 -3.7 7.0 0.9 114 118 A S >> - 0 0 0 -2,-0.2 5,-2.2 27,-0.2 4,-1.4 -0.949 47.6-120.8-161.1 155.8 -1.7 10.2 1.6 115 119 A T T 4>S+ 0 0 29 -2,-0.3 5,-1.7 3,-0.2 6,-0.1 0.935 112.3 43.9 -70.1 -44.0 0.5 12.4 -0.6 116 120 A F T 45S+ 0 0 83 1,-0.2 -1,-0.2 3,-0.2 -3,-0.0 0.824 123.3 32.9 -71.0 -32.8 3.6 11.9 1.5 117 121 A S T 45S+ 0 0 27 3,-0.1 -1,-0.2 -5,-0.0 -2,-0.2 0.534 133.4 10.0-107.6 -6.1 3.3 8.1 2.1 118 122 A V T X5S+ 0 0 1 -4,-1.4 4,-2.5 3,-0.1 3,-0.3 0.532 123.6 50.4-132.6 -52.7 1.7 6.5 -1.0 119 123 A Q H > S+ 0 0 7 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.944 113.5 45.1 -72.4 -47.8 6.2 6.3 -3.6 122 126 A N H X S+ 0 0 3 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.884 113.6 51.2 -61.1 -40.2 4.2 5.6 -6.7 123 127 A K H X S+ 0 0 114 -4,-2.5 4,-2.6 -5,-0.2 5,-0.3 0.956 111.5 45.4 -62.6 -52.6 5.4 8.8 -8.3 124 128 A R H X S+ 0 0 106 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.888 115.6 49.3 -57.5 -41.9 9.1 8.0 -7.7 125 129 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.926 113.6 43.4 -65.4 -48.1 8.5 4.5 -8.9 126 130 A K H X S+ 0 0 76 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.828 111.6 53.8 -69.2 -33.7 6.7 5.4 -12.1 127 131 A E H X S+ 0 0 97 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.852 109.8 48.1 -69.9 -33.5 9.1 8.2 -13.0 128 132 A E H X S+ 0 0 29 -4,-1.5 4,-1.4 -5,-0.3 -2,-0.2 0.876 110.7 51.4 -72.5 -37.2 12.0 5.8 -12.7 129 133 A A H X S+ 0 0 2 -4,-1.7 4,-3.0 1,-0.2 6,-0.4 0.891 110.6 48.5 -65.8 -40.6 10.2 3.2 -14.8 130 134 A E H < S+ 0 0 151 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.864 108.7 53.0 -67.2 -37.8 9.5 5.8 -17.5 131 135 A K H < S+ 0 0 173 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.807 115.4 41.7 -67.8 -28.9 13.1 7.0 -17.5 132 136 A L H < S- 0 0 58 -4,-1.4 -2,-0.2 3,-0.1 -1,-0.2 0.876 108.0-143.2 -84.5 -40.0 14.2 3.3 -18.0 133 137 A G < + 0 0 31 -4,-3.0 -3,-0.1 2,-0.2 -2,-0.1 0.292 67.2 51.6 88.8 142.3 11.5 2.6 -20.6 134 138 A G S S+ 0 0 64 1,-0.1 2,-0.4 -4,-0.1 -4,-0.1 0.649 80.4 107.2 74.3 17.4 9.3 -0.4 -21.3 135 139 A L - 0 0 10 -6,-0.4 2,-0.6 -9,-0.1 -32,-0.2 -0.940 47.6-168.3-132.6 109.9 8.1 -0.9 -17.7 136 140 A T E -d 103 0A 95 -34,-2.5 -32,-2.3 -2,-0.4 2,-0.5 -0.880 5.9-161.2-102.9 119.8 4.5 -0.1 -16.9 137 141 A I E -d 104 0A 10 -2,-0.6 2,-0.6 -34,-0.2 -32,-0.2 -0.882 5.2-161.0-105.0 121.9 3.6 0.1 -13.2 138 142 A T E -d 105 0A 60 -34,-3.1 -32,-2.6 -2,-0.5 2,-0.4 -0.891 22.1-148.5-100.1 120.2 -0.1 -0.1 -12.0 139 143 A S E -d 106 0A 4 -2,-0.6 2,-0.4 -34,-0.2 -32,-0.2 -0.775 14.4-142.3-104.8 133.4 -0.3 1.2 -8.5 140 144 A V - 0 0 6 -34,-2.3 -32,-0.3 -2,-0.4 3,-0.1 -0.681 20.9-176.5 -78.7 133.2 -2.6 0.4 -5.6 141 145 A E - 0 0 87 1,-0.4 2,-0.3 -2,-0.4 -27,-0.2 0.763 60.8 -0.4-106.6 -30.7 -3.4 3.7 -3.9 142 146 A S + 0 0 42 -29,-0.1 -1,-0.4 -30,-0.1 -30,-0.2 -0.965 46.4 165.8-158.6 142.7 -5.5 2.7 -0.8 143 147 A W > + 0 0 4 -32,-1.9 3,-2.4 -2,-0.3 6,-0.2 0.238 43.2 116.6-143.0 12.7 -6.8 -0.6 0.6 144 148 A Y T 3 S+ 0 0 31 -33,-1.8 -32,-0.1 1,-0.3 6,-0.0 0.741 80.5 55.1 -56.6 -23.5 -8.0 0.3 4.1 145 149 A D T 3 S+ 0 0 88 -34,-0.2 -1,-0.3 4,-0.1 -2,-0.0 0.326 71.4 126.2 -94.6 7.3 -11.5 -0.6 3.0 146 150 A E X> - 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