==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-JUL-05 2AC4 . COMPND 2 MOLECULE: FERROCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.SHIPOVSKOV,T.KARLBERG,M.FODJE,M.D.HANSSON,G.C.FERREIRA, . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 72.8 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 . 15 4.9 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 . 122 39.5 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 2 0 0 0 1 1 1 0 1 1 1 1 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 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 2 A S 0 0 173 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -17.4 9.4 59.6 33.8 2 3 A R - 0 0 97 75,-0.1 2,-0.4 1,-0.0 75,-0.2 -0.518 360.0-125.2 -81.3 145.1 8.9 56.7 31.5 3 4 A K E -a 77 0A 74 73,-2.4 75,-2.7 -2,-0.2 2,-0.5 -0.740 24.9-129.3 -88.2 133.6 7.8 57.0 27.9 4 5 A K E +a 78 0A 101 -2,-0.4 2,-0.3 73,-0.2 102,-0.3 -0.723 33.8 173.4 -86.3 127.1 4.7 54.9 27.1 5 6 A M E -a 79 0A 1 73,-2.1 75,-1.7 -2,-0.5 2,-0.3 -0.982 28.4-126.3-135.1 147.6 5.0 52.7 24.0 6 7 A G E -ab 80 107A 0 100,-2.5 102,-2.1 -2,-0.3 2,-0.6 -0.670 14.6-148.7 -90.4 147.2 2.8 50.0 22.5 7 8 A L E -ab 81 108A 0 73,-2.9 75,-2.4 -2,-0.3 2,-0.8 -0.956 11.1-159.8-116.2 106.3 4.3 46.6 21.8 8 9 A L E -ab 82 109A 0 100,-2.5 102,-2.3 -2,-0.6 2,-0.7 -0.797 8.1-172.5 -91.8 111.1 2.6 45.1 18.7 9 10 A V E -ab 83 110A 0 73,-3.0 75,-2.2 -2,-0.8 2,-0.3 -0.902 8.3-172.1-108.1 109.8 3.1 41.3 18.8 10 11 A M E +ab 84 111A 0 100,-2.1 102,-3.1 -2,-0.7 2,-0.3 -0.728 11.3 157.1-105.3 151.9 1.9 39.7 15.6 11 12 A A E -a 85 0A 9 73,-1.5 75,-1.5 -2,-0.3 76,-0.2 -0.963 53.1 -96.0-159.4 171.2 1.5 36.1 14.6 12 13 A Y - 0 0 89 -2,-0.3 75,-2.4 100,-0.2 74,-0.4 0.910 65.8-134.0 -59.8 -47.5 -0.3 33.6 12.3 13 14 A G - 0 0 5 73,-0.2 -1,-0.1 72,-0.2 76,-0.0 -0.145 14.9-135.6 105.3 157.7 -3.0 32.9 14.9 14 15 A T - 0 0 8 -2,-0.1 71,-0.0 -3,-0.1 38,-0.0 -0.986 28.1 -94.2-146.2 153.2 -4.5 29.7 16.2 15 16 A P - 0 0 0 0, 0.0 41,-0.5 0, 0.0 3,-0.1 -0.331 22.8-148.8 -67.3 156.6 -8.1 28.5 17.0 16 17 A Y S S+ 0 0 88 1,-0.3 2,-0.3 39,-0.1 41,-0.1 0.705 77.5 4.5 -94.8 -26.6 -9.1 28.9 20.7 17 18 A K S >> S- 0 0 101 35,-0.1 3,-2.1 1,-0.0 4,-0.5 -0.948 83.4 -94.4-151.3 167.8 -11.5 25.9 20.6 18 19 A E G >4 S+ 0 0 94 -2,-0.3 3,-1.1 1,-0.3 4,-0.4 0.829 118.7 63.4 -55.9 -36.6 -12.6 23.1 18.3 19 20 A E G 34 S+ 0 0 137 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.598 96.8 59.4 -68.0 -9.0 -15.6 25.1 17.1 20 21 A D G <> S+ 0 0 3 -3,-2.1 4,-2.6 1,-0.1 -1,-0.2 0.671 78.6 87.7 -91.0 -20.5 -13.2 27.7 15.6 21 22 A I H S+ 0 0 80 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.959 114.8 35.9 -54.5 -58.8 -14.0 25.9 10.5 23 24 A R H > S+ 0 0 109 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.822 114.7 58.7 -67.0 -30.6 -13.7 29.7 10.3 24 25 A Y H X S+ 0 0 3 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.961 113.4 36.4 -62.8 -51.9 -10.0 29.6 11.0 25 26 A Y H X S+ 0 0 30 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.792 111.9 59.2 -73.7 -27.5 -9.2 27.4 8.0 26 27 A T H <>S+ 0 0 31 -4,-2.0 5,-2.5 -5,-0.3 6,-0.5 0.935 108.4 47.2 -64.0 -42.8 -11.8 29.1 5.8 27 28 A H H ><5S+ 0 0 76 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.876 113.1 47.6 -65.4 -37.8 -9.9 32.3 6.4 28 29 A I H 3<5S+ 0 0 39 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 110.1 53.0 -71.7 -33.4 -6.7 30.6 5.6 29 30 A R T ><5S- 0 0 100 -4,-2.7 3,-1.2 3,-0.1 -1,-0.3 0.177 118.6-114.4 -87.1 17.7 -8.2 29.1 2.5 30 31 A R T < 5S- 0 0 167 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.891 81.1 -32.4 52.3 49.5 -9.3 32.6 1.5 31 32 A G T 3 - 0 0 136 1,-0.1 4,-2.5 -3,-0.1 3,-0.2 -0.253 35.0-100.6 -68.0 163.1 -15.3 20.1 3.1 36 37 A P H > S+ 0 0 91 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.923 121.6 52.1 -52.0 -50.6 -16.8 18.0 5.9 37 38 A E H > S+ 0 0 159 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.883 111.6 45.9 -55.6 -43.3 -14.2 15.2 5.6 38 39 A M H > S+ 0 0 79 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.925 109.6 55.2 -66.1 -43.5 -11.3 17.7 5.9 39 40 A L H X S+ 0 0 27 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.920 110.9 45.1 -54.0 -46.3 -13.0 19.4 8.8 40 41 A Q H X S+ 0 0 90 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.912 111.1 52.5 -66.2 -42.8 -13.2 16.1 10.6 41 42 A D H X S+ 0 0 61 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.934 109.7 50.4 -57.7 -46.0 -9.6 15.2 9.7 42 43 A L H X S+ 0 0 13 -4,-3.2 4,-2.4 2,-0.2 5,-0.2 0.944 108.7 50.4 -57.7 -51.9 -8.5 18.6 11.1 43 44 A K H X S+ 0 0 67 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.933 110.6 50.6 -52.1 -49.5 -10.4 18.0 14.4 44 45 A D H X S+ 0 0 74 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.887 108.1 53.1 -57.7 -40.8 -8.7 14.6 14.7 45 46 A R H X S+ 0 0 62 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.949 109.9 46.5 -61.0 -49.3 -5.3 16.1 14.2 46 47 A Y H <>S+ 0 0 4 -4,-2.4 5,-2.2 1,-0.2 3,-0.4 0.917 112.5 50.6 -59.9 -42.7 -5.7 18.7 16.9 47 48 A E H ><5S+ 0 0 139 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.911 107.6 54.8 -60.2 -43.6 -7.0 16.1 19.3 48 49 A A H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.785 103.7 54.2 -62.1 -31.3 -4.1 13.8 18.5 49 50 A I T 3<5S- 0 0 30 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.332 132.8 -84.1 -88.0 10.3 -1.5 16.5 19.4 50 51 A G T < 5S- 0 0 61 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.2 0.577 78.4 -61.0 104.7 8.9 -3.0 17.1 22.9 51 52 A G < - 0 0 24 -5,-2.2 4,-0.3 -6,-0.2 -4,-0.1 -0.142 46.6 -99.0 102.3 161.0 -5.9 19.5 22.3 52 53 A I S >> S+ 0 0 14 1,-0.1 3,-1.8 2,-0.1 4,-0.7 0.899 98.7 74.3 -87.7 -47.1 -6.3 23.0 21.0 53 54 A S H 3> S+ 0 0 86 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.731 92.1 57.1 -42.8 -37.0 -6.6 25.3 24.0 54 55 A P H 3> S+ 0 0 65 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.872 98.2 65.7 -66.2 -33.2 -2.9 25.2 25.0 55 56 A L H X> S+ 0 0 6 -3,-1.8 3,-1.0 -4,-0.3 4,-0.8 0.939 103.1 39.4 -51.7 -63.3 -1.9 26.4 21.5 56 57 A A H 3X S+ 0 0 12 -4,-0.7 4,-1.4 -41,-0.5 -1,-0.2 0.803 107.8 66.7 -61.5 -29.6 -3.4 30.0 21.6 57 58 A Q H 3X S+ 0 0 96 -4,-1.0 4,-2.3 1,-0.2 -1,-0.3 0.851 92.6 61.8 -60.5 -34.6 -2.3 30.3 25.2 58 59 A I H X S+ 0 0 36 -4,-3.0 4,-1.9 -5,-0.2 3,-0.5 0.917 110.0 47.8 -67.3 -43.2 10.6 41.4 30.8 70 71 A L H 3X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.900 110.9 53.0 -62.2 -40.5 11.3 44.5 28.6 71 72 A N H 3< S+ 0 0 34 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.692 112.1 47.3 -67.4 -19.4 9.7 46.6 31.4 72 73 A E H << S+ 0 0 129 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.787 107.4 51.3 -93.5 -31.1 12.1 45.0 33.9 73 74 A I H < S+ 0 0 71 -4,-1.9 2,-0.3 -5,-0.1 -2,-0.2 0.556 115.9 30.5 -88.0 -8.4 15.5 45.2 32.0 74 75 A Q < - 0 0 22 -4,-0.9 235,-0.0 3,-0.2 -1,-0.0 -0.951 61.2-153.5-142.1 159.3 15.5 48.9 31.1 75 76 A D S S+ 0 0 117 -2,-0.3 3,-0.1 1,-0.1 -4,-0.1 0.201 78.1 75.6-123.5 16.8 13.9 51.9 32.9 76 77 A E S S+ 0 0 114 1,-0.2 -73,-2.4 -74,-0.1 2,-0.4 0.800 94.8 43.0 -94.9 -35.5 13.3 54.4 30.1 77 78 A I E -a 3 0A 0 -75,-0.2 2,-0.6 -7,-0.2 -73,-0.2 -0.888 59.3-154.2-119.5 144.5 10.2 52.8 28.5 78 79 A T E -a 4 0A 47 -75,-2.7 -73,-2.1 -2,-0.4 2,-0.3 -0.957 24.9-155.0-114.8 111.2 7.1 51.2 29.8 79 80 A F E -a 5 0A 3 -2,-0.6 2,-0.5 -12,-0.3 -73,-0.2 -0.649 11.8-163.8 -91.2 144.2 5.7 48.8 27.2 80 81 A K E -a 6 0A 91 -75,-1.7 -73,-2.9 -2,-0.3 2,-0.1 -0.984 21.9-135.2-125.9 116.0 2.1 47.6 26.8 81 82 A A E -a 7 0A 10 -2,-0.5 2,-0.3 -75,-0.2 -73,-0.2 -0.418 21.7-178.1 -74.9 146.3 1.6 44.5 24.7 82 83 A Y E -a 8 0A 13 -75,-2.4 -73,-3.0 -2,-0.1 2,-0.5 -0.974 17.8-141.1-144.0 126.2 -1.1 44.1 22.0 83 84 A I E -a 9 0A 22 -2,-0.3 2,-0.5 -75,-0.2 -73,-0.2 -0.780 16.8-176.6 -95.8 127.8 -1.6 40.9 20.0 84 85 A G E -a 10 0A 0 -75,-2.2 -73,-1.5 -2,-0.5 7,-0.2 -0.977 9.4-168.0-124.1 118.1 -2.5 41.2 16.3 85 86 A L E -ac 11 91A 8 5,-3.1 7,-1.5 -2,-0.5 -73,-0.2 -0.664 21.2-146.0-106.8 161.2 -3.2 38.0 14.5 86 87 A K S S+ 0 0 46 -75,-1.5 -73,-0.2 -74,-0.4 -74,-0.2 0.881 93.7 26.7 -90.4 -43.0 -3.6 37.1 10.8 87 88 A H S S+ 0 0 21 -75,-2.4 2,-0.3 -76,-0.2 -60,-0.2 0.315 123.1 23.9-108.9 9.4 -6.2 34.4 10.7 88 89 A I S S- 0 0 3 -76,-0.2 -3,-0.3 2,-0.2 -1,-0.1 -0.972 92.5 -47.6-164.6 155.3 -8.3 34.9 13.8 89 90 A E S S+ 0 0 67 -2,-0.3 -5,-0.1 1,-0.2 -3,-0.1 -0.399 106.7 59.4 -71.2 151.2 -9.3 37.8 16.1 90 91 A P S S- 0 0 50 0, 0.0 -5,-3.1 0, 0.0 -1,-0.2 0.336 87.9-164.8 -73.1 125.1 -7.8 39.8 17.6 91 92 A F B > -c 85 0A 52 -7,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.289 32.7-105.3 -75.5 163.9 -6.8 40.8 14.1 92 93 A I H > S+ 0 0 0 -7,-1.5 4,-2.3 1,-0.2 5,-0.2 0.947 122.7 51.0 -52.7 -53.7 -3.9 43.1 13.3 93 94 A E H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 110.4 51.1 -53.1 -39.7 -6.2 45.9 12.4 94 95 A D H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 107.2 51.5 -65.1 -47.1 -8.0 45.4 15.7 95 96 A A H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.911 112.7 47.1 -57.2 -42.4 -4.8 45.4 17.8 96 97 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.912 110.2 50.5 -67.1 -44.0 -3.8 48.7 16.2 97 98 A A H X S+ 0 0 38 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.882 111.0 50.5 -63.1 -37.3 -7.2 50.4 16.6 98 99 A E H X S+ 0 0 103 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.889 107.5 52.1 -68.8 -38.0 -7.2 49.4 20.3 99 100 A M H <>S+ 0 0 0 -4,-1.8 5,-2.4 1,-0.2 -2,-0.2 0.925 110.4 50.2 -61.2 -41.8 -3.7 50.9 20.8 100 101 A H H ><5S+ 0 0 68 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.906 111.1 48.5 -62.0 -41.2 -5.0 54.1 19.3 101 102 A K H 3<5S+ 0 0 177 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.856 105.4 56.8 -69.0 -34.7 -8.0 54.0 21.6 102 103 A D T 3<5S- 0 0 74 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.419 123.6-104.4 -76.4 3.1 -5.8 53.4 24.7 103 104 A G T < 5 + 0 0 50 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.483 66.1 156.4 89.6 2.4 -3.9 56.6 23.8 104 105 A I < + 0 0 5 -5,-2.4 -1,-0.3 -6,-0.2 3,-0.1 -0.408 11.2 169.0 -63.3 135.5 -0.8 54.9 22.4 105 106 A T + 0 0 89 -101,-0.3 34,-2.2 1,-0.3 2,-0.4 0.568 63.7 43.9-119.7 -21.8 1.0 57.2 20.0 106 107 A E E + d 0 139A 69 -102,-0.3 -100,-2.5 32,-0.2 2,-0.3 -0.985 67.6 169.8-129.7 137.5 4.2 55.4 19.5 107 108 A A E -bd 6 140A 1 32,-1.5 34,-2.2 -2,-0.4 2,-0.4 -0.976 25.7-150.7-147.8 160.4 4.8 51.7 19.0 108 109 A V E -bd 7 141A 0 -102,-2.1 -100,-2.5 -2,-0.3 2,-0.3 -0.998 21.8-160.6-129.3 131.7 7.3 49.0 18.1 109 110 A S E -bd 8 142A 0 32,-2.5 34,-2.5 -2,-0.4 2,-0.3 -0.828 11.1-179.8-116.3 155.4 6.1 45.8 16.3 110 111 A I E -b 9 0A 0 -102,-2.3 -100,-2.1 -2,-0.3 2,-0.4 -0.979 21.6-134.4-151.9 137.1 7.6 42.3 15.9 111 112 A V E -b 10 0A 4 -2,-0.3 2,-2.6 32,-0.3 -100,-0.2 -0.817 21.7-124.9 -97.4 135.0 6.3 39.2 14.2 112 113 A L S S+ 0 0 16 -102,-3.1 146,-0.3 -2,-0.4 -100,-0.2 -0.344 90.4 82.4 -76.7 59.9 6.6 35.9 15.9 113 114 A A S S- 0 0 25 -2,-2.6 -2,-0.2 144,-0.1 144,-0.1 -0.825 72.3-145.6-162.2 118.1 8.5 34.4 13.0 114 115 A P S S+ 0 0 0 0, 0.0 32,-2.5 0, 0.0 33,-1.6 0.748 75.2 70.4 -62.3 -31.8 12.3 35.0 12.8 115 116 A H S S- 0 0 3 141,-0.2 6,-0.3 30,-0.2 30,-0.1 -0.763 77.7-127.1 -98.9 136.0 12.7 35.2 9.0 116 117 A F + 0 0 26 -2,-0.4 2,-0.3 78,-0.1 82,-0.2 -0.392 32.9 168.1 -73.2 151.9 11.4 38.0 6.8 117 118 A S > - 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