==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTOHEME FERRO-LYASE 28-MAY-97 1AK1 . COMPND 2 MOLECULE: FERROCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.AL-KARADAGHI,M.HANSSON,S.NIKONOV,B.JONSSON,L.HEDERSTEDT . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.9 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 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 1 2 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 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 3 A R 0 0 157 0, 0.0 2,-0.3 0, 0.0 75,-0.3 0.000 360.0 360.0 360.0 105.4 9.0 56.5 31.9 2 4 A K E -a 76 0A 93 73,-3.0 75,-3.1 1,-0.0 2,-0.5 -0.632 360.0-126.8 -74.9 133.1 8.0 57.1 28.3 3 5 A K E +a 77 0A 101 -2,-0.3 2,-0.3 73,-0.2 101,-0.3 -0.722 36.2 172.3 -85.7 126.2 4.8 55.1 27.4 4 6 A M E -a 78 0A 9 73,-2.4 75,-1.6 -2,-0.5 2,-0.3 -0.989 28.5-127.5-135.5 145.2 5.3 52.9 24.3 5 7 A G E -ab 79 106A 0 100,-2.7 102,-2.3 -2,-0.3 2,-0.6 -0.680 13.8-152.3 -90.0 144.1 3.1 50.2 22.7 6 8 A L E -ab 80 107A 0 73,-3.2 75,-3.0 -2,-0.3 2,-0.8 -0.951 9.6-162.1-118.5 105.3 4.6 46.8 22.0 7 9 A L E -ab 81 108A 0 100,-2.5 102,-2.5 -2,-0.6 2,-0.6 -0.814 6.1-171.7 -94.2 107.8 2.8 45.2 19.0 8 10 A V E -ab 82 109A 1 73,-2.7 75,-2.5 -2,-0.8 2,-0.3 -0.887 8.8-168.8-101.0 118.8 3.5 41.5 19.0 9 11 A M E +ab 83 110A 0 100,-2.8 102,-2.7 -2,-0.6 2,-0.3 -0.859 12.3 161.1-113.4 149.9 2.2 39.9 15.8 10 12 A A E -a 84 0A 11 73,-1.4 75,-1.9 -2,-0.3 76,-0.2 -0.945 50.6 -99.2-154.8 168.2 1.7 36.2 14.9 11 13 A Y - 0 0 78 -2,-0.3 75,-2.3 73,-0.2 76,-0.2 0.923 64.2-132.1 -57.4 -47.9 -0.1 33.9 12.5 12 14 A G - 0 0 6 73,-0.2 -1,-0.1 74,-0.1 76,-0.0 -0.237 15.8-137.8 107.1 158.8 -2.8 33.0 15.0 13 15 A T - 0 0 7 -2,-0.1 38,-0.0 -3,-0.1 71,-0.0 -0.973 30.2 -93.6-148.5 151.3 -4.3 29.7 16.3 14 16 A P - 0 0 0 0, 0.0 41,-0.3 0, 0.0 3,-0.1 -0.288 24.5-149.0 -63.7 159.8 -7.9 28.7 17.0 15 17 A Y S S+ 0 0 72 1,-0.3 2,-0.3 39,-0.1 40,-0.1 0.640 77.2 5.4-101.7 -24.3 -9.0 29.1 20.7 16 18 A K S > S- 0 0 105 35,-0.1 3,-2.3 34,-0.0 4,-0.4 -0.956 85.6 -94.1-152.9 164.0 -11.4 26.2 20.7 17 19 A E G > S+ 0 0 90 -2,-0.3 3,-1.2 1,-0.3 4,-0.3 0.801 118.7 63.8 -53.3 -35.4 -12.5 23.4 18.4 18 20 A E G 3 S+ 0 0 139 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.549 95.7 60.3 -69.7 -7.0 -15.5 25.5 17.1 19 21 A D G <> S+ 0 0 3 -3,-2.3 4,-2.9 1,-0.1 5,-0.2 0.606 78.8 87.9 -93.0 -16.6 -13.0 28.1 15.6 20 22 A I H <> S+ 0 0 0 -3,-1.2 4,-2.7 -4,-0.4 5,-0.2 0.875 85.6 53.2 -51.0 -43.2 -11.3 25.6 13.3 21 23 A E H > S+ 0 0 92 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.961 115.4 36.5 -59.2 -57.2 -13.8 26.2 10.5 22 24 A R H > S+ 0 0 104 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.887 115.6 56.4 -66.2 -35.9 -13.5 30.0 10.3 23 25 A Y H X S+ 0 0 4 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.935 113.9 39.0 -61.7 -46.0 -9.8 29.9 11.1 24 26 A Y H X S+ 0 0 34 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.800 111.3 57.7 -76.2 -28.4 -9.2 27.6 8.1 25 27 A T H <>S+ 0 0 30 -4,-2.2 5,-2.6 -5,-0.2 6,-0.5 0.937 108.3 48.5 -64.6 -43.2 -11.7 29.5 5.8 26 28 A H H ><5S+ 0 0 60 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.924 111.3 48.6 -62.6 -46.9 -9.7 32.6 6.5 27 29 A I H 3<5S+ 0 0 36 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.873 109.8 54.1 -61.9 -35.4 -6.4 30.9 5.7 28 30 A R T ><5S- 0 0 67 -4,-2.1 3,-1.1 3,-0.2 -1,-0.3 0.154 118.3-108.5 -88.6 19.8 -7.9 29.5 2.5 29 31 A R T < 5S- 0 0 144 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.817 82.3 -39.9 60.7 36.0 -9.0 32.9 1.1 30 32 A G T 3 > - 0 0 119 1,-0.1 4,-2.7 -3,-0.1 3,-0.8 -0.338 36.9-107.8 -62.0 149.2 -15.0 20.3 3.0 35 37 A P H 3> S+ 0 0 65 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.885 123.1 52.0 -48.3 -38.9 -16.8 18.6 6.0 36 38 A E H 3> S+ 0 0 116 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.855 109.2 47.9 -67.7 -35.8 -14.2 15.8 5.6 37 39 A M H <> S+ 0 0 68 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.926 111.0 51.6 -68.0 -45.6 -11.3 18.2 5.8 38 40 A L H X S+ 0 0 24 -4,-2.7 4,-1.9 1,-0.2 3,-0.4 0.950 107.1 54.4 -54.6 -49.6 -12.8 19.9 8.8 39 41 A Q H X S+ 0 0 113 -4,-2.6 4,-1.4 1,-0.3 -1,-0.2 0.873 110.4 42.8 -56.3 -45.1 -13.2 16.6 10.6 40 42 A D H X S+ 0 0 58 -4,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.755 105.7 62.7 -79.4 -18.6 -9.6 15.4 10.3 41 43 A L H X S+ 0 0 15 -4,-1.6 4,-1.9 -3,-0.4 -1,-0.2 0.938 105.6 48.4 -67.0 -41.3 -8.3 18.9 11.2 42 44 A K H X S+ 0 0 71 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.896 108.4 54.0 -61.4 -42.2 -10.0 18.3 14.5 43 45 A D H X S+ 0 0 94 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.903 106.8 51.8 -59.7 -40.7 -8.4 14.8 14.7 44 46 A R H X S+ 0 0 70 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.907 109.6 48.5 -63.9 -43.4 -5.0 16.4 14.2 45 47 A Y H <>S+ 0 0 3 -4,-1.9 5,-2.6 1,-0.2 -1,-0.2 0.827 112.5 49.3 -66.5 -33.2 -5.5 18.9 17.0 46 48 A E H ><5S+ 0 0 135 -4,-1.9 3,-1.5 3,-0.2 -2,-0.2 0.897 107.4 54.0 -72.9 -40.8 -6.7 16.1 19.3 47 49 A A H 3<5S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.892 106.3 53.6 -60.8 -38.6 -3.7 13.9 18.5 48 50 A I T 3<5S- 0 0 31 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.459 129.8 -90.7 -78.5 0.4 -1.3 16.8 19.4 49 51 A G T < 5S- 0 0 63 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.434 76.6 -56.3 108.8 -0.9 -2.9 17.2 22.9 50 52 A G < - 0 0 22 -5,-2.6 4,-0.3 -6,-0.2 -4,-0.1 -0.304 43.8-100.0 116.3 162.2 -5.6 19.8 22.3 51 53 A I S >> S+ 0 0 16 2,-0.1 3,-1.4 1,-0.1 4,-0.8 0.916 100.1 67.3 -88.1 -50.0 -6.2 23.3 21.0 52 54 A S H 3> S+ 0 0 79 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.747 95.5 55.7 -48.3 -37.0 -6.4 25.6 24.1 53 55 A P H 3> S+ 0 0 66 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.872 99.9 65.6 -66.8 -30.3 -2.8 25.3 25.2 54 56 A L H X> S+ 0 0 7 -3,-1.4 4,-0.7 -4,-0.3 3,-0.6 0.911 102.1 42.2 -55.5 -53.7 -1.7 26.5 21.7 55 57 A A H 3X S+ 0 0 7 -4,-0.8 4,-1.5 -41,-0.3 -1,-0.2 0.784 105.1 67.3 -67.7 -27.1 -3.1 30.0 21.9 56 58 A Q H 3X S+ 0 0 105 -4,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.843 91.3 62.1 -61.7 -35.4 -1.9 30.4 25.4 57 59 A I H X S+ 0 0 50 -4,-2.3 4,-1.8 1,-0.2 3,-0.8 0.908 109.3 50.4 -70.2 -43.6 10.8 41.6 31.1 69 71 A L H 3X S+ 0 0 0 -4,-3.0 4,-0.6 1,-0.2 -2,-0.2 0.893 108.8 52.6 -59.9 -42.6 11.3 44.8 29.0 70 72 A N H 3< S+ 0 0 31 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.616 111.6 47.4 -69.6 -14.9 9.9 47.0 31.8 71 73 A E H << S+ 0 0 158 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.784 107.1 52.6 -96.4 -34.0 12.2 45.4 34.4 72 74 A I H < S+ 0 0 74 -4,-1.8 2,-0.3 2,-0.0 -2,-0.2 0.500 115.7 31.6 -83.2 -6.5 15.6 45.6 32.5 73 75 A Q < - 0 0 16 -4,-0.6 -1,-0.0 3,-0.2 235,-0.0 -0.974 59.2-153.6-147.2 155.7 15.4 49.3 31.7 74 76 A D S S+ 0 0 124 -2,-0.3 3,-0.1 1,-0.1 -4,-0.1 0.271 80.3 73.3-115.3 8.6 14.0 52.4 33.4 75 77 A E S S+ 0 0 113 1,-0.1 -73,-3.0 -74,-0.1 2,-0.3 0.810 95.2 39.5 -94.2 -31.9 13.3 54.8 30.5 76 78 A I E -a 2 0A 1 -75,-0.3 2,-0.6 -7,-0.2 -73,-0.2 -0.916 58.5-151.7-126.6 144.8 10.3 53.2 28.9 77 79 A T E -a 3 0A 48 -75,-3.1 -73,-2.4 -2,-0.3 2,-0.3 -0.967 24.6-155.8-113.4 110.7 7.1 51.5 30.0 78 80 A F E -a 4 0A 2 -2,-0.6 2,-0.5 -12,-0.3 -73,-0.2 -0.660 10.9-164.4 -89.6 145.2 5.9 49.0 27.4 79 81 A K E -a 5 0A 86 -75,-1.6 -73,-3.2 -2,-0.3 2,-0.4 -0.992 20.1-136.6-128.5 119.4 2.3 47.8 27.0 80 82 A A E -a 6 0A 9 -2,-0.5 2,-0.4 -75,-0.2 -73,-0.2 -0.637 21.0-178.7 -85.6 135.4 1.9 44.6 24.9 81 83 A Y E -a 7 0A 19 -75,-3.0 -73,-2.7 -2,-0.4 2,-0.5 -0.997 18.6-141.2-130.2 129.9 -0.8 44.3 22.3 82 84 A I E -a 8 0A 29 -2,-0.4 2,-0.5 -75,-0.2 -73,-0.2 -0.823 16.7-174.9 -97.0 126.9 -1.3 41.1 20.2 83 85 A G E -a 9 0A 0 -75,-2.5 -73,-1.4 -2,-0.5 2,-0.3 -0.979 9.1-165.4-123.3 119.0 -2.2 41.4 16.5 84 86 A L E -ac 10 90A 8 5,-3.0 7,-1.2 -2,-0.5 -73,-0.2 -0.724 21.4-145.5-107.9 156.9 -2.9 38.2 14.6 85 87 A K S S+ 0 0 30 -75,-1.9 -73,-0.2 -2,-0.3 -74,-0.2 0.847 93.7 25.0 -86.1 -35.2 -3.2 37.4 10.9 86 88 A H S S+ 0 0 16 -75,-2.3 2,-0.3 -76,-0.2 -60,-0.2 0.503 121.5 27.3-115.1 -0.6 -5.9 34.7 10.9 87 89 A I S S- 0 0 0 -76,-0.2 -3,-0.3 2,-0.2 -1,-0.1 -0.973 94.2 -49.0-154.3 153.7 -8.1 35.1 13.9 88 90 A E S S+ 0 0 67 -2,-0.3 -3,-0.1 1,-0.2 -5,-0.1 -0.401 109.4 58.1 -68.4 150.8 -9.1 38.0 16.2 89 91 A P S S- 0 0 49 0, 0.0 -5,-3.0 0, 0.0 -1,-0.2 0.322 86.6-168.4 -73.7 120.9 -7.6 40.1 17.6 90 92 A F B > -c 84 0A 47 -7,-0.2 4,-2.0 -4,-0.1 -5,-0.2 -0.205 37.2 -97.4 -70.7 171.3 -6.5 40.9 14.1 91 93 A I H > S+ 0 0 0 -7,-1.2 4,-2.2 -8,-0.3 5,-0.2 0.917 125.1 51.2 -56.4 -45.0 -3.7 43.3 13.4 92 94 A E H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 108.5 53.1 -61.8 -37.4 -6.1 46.2 12.7 93 95 A D H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 108.5 48.3 -65.5 -44.5 -7.9 45.5 16.0 94 96 A A H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.928 112.4 49.1 -63.3 -43.5 -4.7 45.6 18.1 95 97 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.903 111.0 50.1 -63.0 -40.5 -3.6 48.9 16.4 96 98 A A H X S+ 0 0 40 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.876 109.1 53.2 -64.8 -37.2 -7.1 50.4 17.1 97 99 A E H X S+ 0 0 95 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.949 108.5 48.4 -62.8 -48.5 -6.8 49.3 20.7 98 100 A M H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-0.4 0.915 111.9 49.1 -57.7 -47.9 -3.4 51.1 21.1 99 101 A H H ><5S+ 0 0 70 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.918 108.9 54.2 -59.2 -41.5 -4.8 54.2 19.6 100 102 A K H 3<5S+ 0 0 173 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.834 106.2 51.8 -61.8 -36.2 -7.8 54.0 21.9 101 103 A D T 3<5S- 0 0 74 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.456 122.8-102.4 -82.4 -1.0 -5.5 53.8 25.0 102 104 A G T < 5 + 0 0 54 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.698 66.0 155.2 89.6 19.4 -3.6 56.9 24.0 103 105 A I < + 0 0 2 -5,-2.4 -1,-0.3 -6,-0.2 3,-0.1 -0.653 11.5 168.5 -80.4 133.1 -0.5 55.2 22.6 104 106 A T + 0 0 82 -2,-0.3 34,-2.3 -101,-0.3 2,-0.4 0.496 64.5 49.0-119.1 -17.3 1.3 57.5 20.1 105 107 A E E + d 0 138A 86 -102,-0.3 -100,-2.7 32,-0.2 2,-0.3 -0.995 66.2 168.3-129.3 130.9 4.6 55.5 19.8 106 108 A A E -bd 5 139A 3 32,-2.2 34,-2.7 -2,-0.4 2,-0.4 -0.976 23.9-154.0-143.9 151.6 4.9 51.8 19.1 107 109 A V E -bd 6 140A 0 -102,-2.3 -100,-2.5 -2,-0.3 2,-0.3 -0.980 21.7-154.4-123.0 134.4 7.5 49.2 18.2 108 110 A S E -bd 7 141A 0 32,-2.6 34,-2.3 -2,-0.4 2,-0.3 -0.817 13.5-179.0-112.9 155.1 6.3 46.0 16.4 109 111 A I E -b 8 0A 0 -102,-2.5 -100,-2.8 -2,-0.3 2,-0.4 -0.964 17.9-144.0-152.9 130.9 7.7 42.5 16.2 110 112 A V E -b 9 0A 7 -2,-0.3 2,-2.1 32,-0.3 -100,-0.2 -0.840 25.5-123.9 -93.6 136.7 6.5 39.4 14.4 111 113 A L S S+ 0 0 16 -102,-2.7 146,-0.3 -2,-0.4 -100,-0.2 -0.403 87.6 86.7 -81.2 62.6 7.1 36.1 16.2 112 114 A A S S- 0 0 27 -2,-2.1 -2,-0.2 144,-0.1 144,-0.1 -0.848 71.4-144.3-158.3 116.7 9.0 34.5 13.2 113 115 A P S S+ 0 0 0 0, 0.0 32,-2.4 0, 0.0 33,-1.8 0.662 75.8 70.8 -62.8 -21.1 12.8 35.2 13.1 114 116 A H S S- 0 0 4 30,-0.2 6,-0.3 141,-0.2 2,-0.2 -0.790 76.8-125.6-106.6 146.6 13.1 35.5 9.3 115 117 A F + 0 0 22 -2,-0.3 2,-0.3 4,-0.1 82,-0.2 -0.569 31.1 166.2 -85.6 150.3 11.9 38.2 7.0 116 118 A S > - 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