==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-OCT-02 1N0I . COMPND 2 MOLECULE: FERROCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.LECEROF,M.N.FODJE,R.A.LEON,U.OLSSON,A.HANSSON, . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14370.0 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 . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.8 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 0 1 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 0 174 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.4 9.1 59.8 33.8 2 3 A R - 0 0 94 1,-0.1 2,-0.4 75,-0.1 75,-0.3 -0.357 360.0-116.5 -75.1 153.6 9.0 56.8 31.4 3 4 A K E -a 77 0A 98 73,-2.6 75,-2.7 -2,-0.1 2,-0.4 -0.775 29.2-128.9 -90.4 133.1 8.0 57.1 27.7 4 5 A K E +a 78 0A 98 -2,-0.4 2,-0.3 73,-0.2 101,-0.3 -0.684 34.7 169.9 -85.2 130.7 4.8 55.2 26.9 5 6 A M E -a 79 0A 0 73,-2.2 75,-1.5 -2,-0.4 2,-0.4 -0.974 30.4-125.3-139.9 153.2 5.0 52.9 23.9 6 7 A G E -ab 80 107A 0 100,-2.2 102,-2.3 -2,-0.3 2,-0.7 -0.778 14.4-149.5 -97.4 143.5 2.8 50.2 22.4 7 8 A L E -ab 81 108A 0 73,-3.1 75,-2.7 -2,-0.4 2,-0.9 -0.915 12.2-161.7-113.1 100.7 4.3 46.7 21.8 8 9 A L E -ab 82 109A 0 100,-2.2 102,-2.4 -2,-0.7 2,-0.7 -0.754 6.3-171.3 -88.8 106.4 2.5 45.2 18.8 9 10 A V E -ab 83 110A 1 73,-2.6 75,-2.3 -2,-0.9 2,-0.3 -0.860 9.0-171.2 -99.8 109.8 3.0 41.5 18.8 10 11 A M E +ab 84 111A 0 100,-2.4 102,-2.8 -2,-0.7 2,-0.3 -0.721 11.8 156.9-104.7 153.0 1.7 39.9 15.6 11 12 A A E -a 85 0A 9 73,-1.7 75,-1.4 -2,-0.3 76,-0.2 -0.970 53.6 -96.2-160.1 170.7 1.3 36.3 14.6 12 13 A Y - 0 0 77 -2,-0.3 75,-2.3 73,-0.2 74,-0.3 0.898 65.6-137.1 -59.1 -46.5 -0.5 33.9 12.3 13 14 A G - 0 0 5 73,-0.2 -1,-0.1 72,-0.1 76,-0.1 -0.060 13.3-132.1 101.0 156.8 -3.1 33.1 15.0 14 15 A T - 0 0 9 -2,-0.1 7,-0.0 -3,-0.1 38,-0.0 -0.990 26.9 -92.4-145.7 152.5 -4.7 29.9 16.2 15 16 A P - 0 0 0 0, 0.0 41,-0.5 0, 0.0 40,-0.1 -0.276 23.9-149.6 -62.4 151.1 -8.3 28.6 17.1 16 17 A Y S S+ 0 0 88 1,-0.3 2,-0.3 39,-0.1 41,-0.1 0.697 77.3 4.6 -94.4 -22.8 -9.3 29.0 20.7 17 18 A K S > S- 0 0 103 35,-0.1 3,-2.5 1,-0.0 4,-0.4 -0.960 85.4 -92.8-154.3 163.6 -11.6 25.9 20.7 18 19 A E G > S+ 0 0 94 -2,-0.3 3,-1.4 1,-0.3 4,-0.3 0.821 119.7 62.8 -50.3 -37.6 -12.6 23.1 18.4 19 20 A E G 3 S+ 0 0 135 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.563 94.3 62.9 -68.3 -8.4 -15.6 25.0 17.1 20 21 A D G <> S+ 0 0 3 -3,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.622 77.4 89.7 -88.0 -17.6 -13.2 27.7 15.7 21 22 A I H <> S+ 0 0 1 -3,-1.4 4,-2.4 -4,-0.4 5,-0.3 0.883 84.0 52.1 -46.3 -51.3 -11.6 25.2 13.3 22 23 A E H > S+ 0 0 89 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.953 115.6 37.1 -50.3 -63.9 -14.0 25.9 10.4 23 24 A R H > S+ 0 0 103 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.792 114.0 57.1 -62.0 -33.2 -13.8 29.7 10.3 24 25 A Y H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.963 114.7 37.3 -65.1 -47.3 -10.1 29.7 11.1 25 26 A Y H X S+ 0 0 35 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.772 111.2 59.1 -77.5 -25.2 -9.3 27.5 8.0 26 27 A T H <>S+ 0 0 30 -4,-2.0 5,-2.0 -5,-0.3 6,-0.6 0.958 109.4 45.9 -65.0 -46.7 -12.0 29.1 5.9 27 28 A H H ><5S+ 0 0 70 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.940 113.3 48.5 -59.3 -49.1 -10.0 32.4 6.5 28 29 A I H 3<5S+ 0 0 40 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.877 109.6 53.2 -59.2 -38.0 -6.7 30.6 5.7 29 30 A R T ><5S- 0 0 87 -4,-2.6 3,-0.6 3,-0.2 -1,-0.3 0.254 120.2-111.9 -82.2 12.6 -8.3 29.1 2.6 30 31 A R T < 5S- 0 0 174 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.924 80.9 -34.1 57.5 51.0 -9.3 32.6 1.5 31 32 A G T 3 - 0 0 130 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.193 35.4 -98.3 -67.7 165.7 -15.4 20.1 3.1 36 37 A P H > S+ 0 0 97 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.888 123.0 50.2 -53.3 -45.6 -17.0 17.9 5.8 37 38 A E H > S+ 0 0 157 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.897 110.9 48.8 -62.9 -41.8 -14.3 15.2 5.6 38 39 A M H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 108.6 53.4 -64.5 -44.1 -11.5 17.8 5.9 39 40 A L H X S+ 0 0 28 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.866 109.7 49.1 -57.1 -38.7 -13.1 19.4 8.9 40 41 A Q H X S+ 0 0 94 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.903 110.4 49.8 -69.0 -42.1 -13.3 16.0 10.7 41 42 A D H X S+ 0 0 63 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.893 108.5 52.6 -63.5 -42.2 -9.7 15.3 9.9 42 43 A L H X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.902 107.8 51.8 -61.5 -40.8 -8.5 18.6 11.3 43 44 A K H X S+ 0 0 70 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.914 109.5 50.3 -61.7 -42.6 -10.4 18.0 14.5 44 45 A D H X S+ 0 0 74 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.873 108.8 51.9 -63.8 -37.8 -8.7 14.6 14.8 45 46 A R H X S+ 0 0 65 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.946 110.5 47.1 -64.4 -47.8 -5.3 16.2 14.3 46 47 A Y H <>S+ 0 0 5 -4,-2.4 5,-2.5 1,-0.2 -2,-0.2 0.874 112.4 49.8 -62.7 -37.0 -5.8 18.7 17.0 47 48 A E H ><5S+ 0 0 142 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.911 108.4 54.7 -66.1 -40.1 -7.1 16.1 19.4 48 49 A A H 3<5S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.812 104.2 53.9 -62.7 -33.0 -4.0 14.0 18.5 49 50 A I T 3<5S- 0 0 27 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.219 130.5 -88.2 -88.7 15.4 -1.6 16.8 19.5 50 51 A G T < 5S- 0 0 65 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.463 78.1 -62.7 97.2 -0.8 -3.1 17.3 22.9 51 52 A G < - 0 0 23 -5,-2.5 4,-0.2 -6,-0.2 -4,-0.1 -0.209 43.3 -97.2 109.3 160.5 -5.9 19.7 22.2 52 53 A I S >> S+ 0 0 11 1,-0.1 3,-2.4 2,-0.1 4,-0.5 0.888 98.8 78.5 -85.3 -44.9 -6.4 23.3 20.9 53 54 A S H 3> S+ 0 0 90 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.743 91.4 55.4 -38.0 -39.1 -6.8 25.3 24.1 54 55 A P H 3> S+ 0 0 65 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.788 94.2 71.4 -70.9 -24.6 -3.1 25.4 24.8 55 56 A L H X> S+ 0 0 3 -3,-2.4 4,-1.0 1,-0.2 3,-0.9 0.951 100.1 39.3 -54.1 -63.9 -2.2 26.9 21.4 56 57 A A H 3X S+ 0 0 16 -4,-0.5 4,-2.0 -41,-0.5 -1,-0.2 0.772 109.4 64.9 -60.7 -27.4 -3.4 30.5 21.8 57 58 A Q H 3X S+ 0 0 96 -4,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.851 95.5 56.8 -65.2 -35.8 -2.2 30.5 25.4 58 59 A I H X S+ 0 0 46 -4,-3.0 4,-2.1 1,-0.2 3,-1.1 0.935 109.3 50.1 -61.6 -49.7 10.6 41.6 30.7 70 71 A L H 3X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.3 -1,-0.2 0.883 110.0 52.6 -55.8 -38.7 11.2 44.6 28.5 71 72 A N H 3< S+ 0 0 34 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.692 112.6 45.7 -71.2 -19.6 9.8 46.8 31.2 72 73 A E H << S+ 0 0 124 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.771 107.8 53.1 -94.6 -29.4 12.2 45.2 33.8 73 74 A I H < S+ 0 0 74 -4,-2.1 2,-0.3 -5,-0.1 -2,-0.2 0.509 115.1 32.3 -86.7 -5.8 15.5 45.4 31.8 74 75 A Q < - 0 0 18 -4,-0.7 -1,-0.0 -5,-0.2 0, 0.0 -0.964 59.4-154.5-143.7 159.5 15.4 49.1 30.9 75 76 A D S S+ 0 0 122 -2,-0.3 3,-0.1 1,-0.1 -4,-0.1 0.195 78.7 74.4-124.2 18.4 14.0 52.1 32.7 76 77 A E S S+ 0 0 106 1,-0.1 -73,-2.6 -74,-0.1 2,-0.3 0.777 95.4 40.0 -97.5 -35.5 13.3 54.6 29.9 77 78 A I E -a 3 0A 7 -75,-0.3 2,-0.5 -7,-0.2 -73,-0.2 -0.876 58.7-150.9-122.6 150.6 10.2 53.1 28.4 78 79 A T E -a 4 0A 49 -75,-2.7 -73,-2.2 -2,-0.3 2,-0.3 -0.975 24.6-155.4-119.2 112.7 7.0 51.4 29.6 79 80 A F E -a 5 0A 3 -2,-0.5 2,-0.5 -12,-0.3 -73,-0.2 -0.668 10.0-163.7 -91.7 144.0 5.7 49.0 27.1 80 81 A K E -a 6 0A 99 -75,-1.5 -73,-3.1 -2,-0.3 2,-0.2 -0.987 21.2-135.0-127.4 117.1 2.0 47.8 26.7 81 82 A A E -a 7 0A 22 -2,-0.5 2,-0.4 -75,-0.2 -73,-0.2 -0.501 22.2-179.7 -79.9 139.3 1.5 44.7 24.7 82 83 A Y E -a 8 0A 13 -75,-2.7 -73,-2.6 -2,-0.2 2,-0.5 -0.995 19.4-140.6-136.1 127.2 -1.2 44.3 22.0 83 84 A I E -a 9 0A 22 -2,-0.4 2,-0.5 -75,-0.2 -73,-0.2 -0.783 17.8-175.0 -94.0 128.2 -1.7 41.0 20.1 84 85 A G E -a 10 0A 0 -75,-2.3 -73,-1.7 -2,-0.5 2,-0.3 -0.984 6.9-168.9-124.3 123.5 -2.6 41.3 16.4 85 86 A L E -ac 11 91A 5 5,-2.4 7,-2.0 -2,-0.5 -73,-0.2 -0.752 23.0-148.9-115.0 160.4 -3.4 38.2 14.3 86 87 A K S S+ 0 0 39 -75,-1.4 -73,-0.2 -74,-0.3 -74,-0.1 0.862 93.7 28.8 -89.9 -43.4 -3.8 37.4 10.6 87 88 A H S S+ 0 0 15 -75,-2.3 2,-0.3 -76,-0.2 -60,-0.2 0.407 122.2 20.9-106.2 5.1 -6.4 34.6 10.6 88 89 A I S S- 0 0 3 -76,-0.2 -3,-0.2 2,-0.2 -1,-0.1 -0.979 92.7 -43.5-163.5 156.3 -8.5 35.1 13.7 89 90 A E S S+ 0 0 64 -2,-0.3 -3,-0.1 1,-0.1 -5,-0.1 -0.382 107.6 55.8 -71.4 149.5 -9.5 37.8 16.2 90 91 A P S S- 0 0 48 0, 0.0 -5,-2.4 0, 0.0 -2,-0.2 0.361 88.8-161.0 -72.2 127.6 -8.1 40.0 17.5 91 92 A F B > -c 85 0A 53 -7,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.344 31.4-102.7 -76.4 160.5 -7.0 40.9 14.0 92 93 A I H > S+ 0 0 0 -7,-2.0 4,-1.9 1,-0.3 5,-0.1 0.881 124.2 48.0 -47.4 -48.0 -4.0 43.1 13.2 93 94 A E H > S+ 0 0 54 1,-0.2 4,-2.6 -8,-0.2 -1,-0.3 0.890 107.5 56.5 -62.9 -40.5 -6.3 46.1 12.6 94 95 A D H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.898 107.7 47.5 -58.7 -42.6 -8.2 45.5 15.8 95 96 A A H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.924 111.9 49.7 -66.2 -42.7 -5.1 45.7 17.9 96 97 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.906 110.0 50.6 -62.5 -42.4 -3.9 48.9 16.2 97 98 A A H X S+ 0 0 39 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.853 109.7 52.1 -64.6 -33.8 -7.4 50.5 16.7 98 99 A E H X S+ 0 0 90 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.921 106.1 51.9 -70.3 -43.5 -7.2 49.6 20.4 99 100 A M H X>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-0.6 0.931 111.5 49.2 -56.5 -44.8 -3.8 51.1 20.9 100 101 A H H ><5S+ 0 0 69 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.925 111.3 47.7 -60.5 -46.6 -5.1 54.3 19.3 101 102 A K H 3<5S+ 0 0 163 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.866 109.3 54.2 -63.8 -37.2 -8.2 54.3 21.6 102 103 A D H 3<5S- 0 0 80 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.582 124.4-104.0 -73.7 -9.6 -6.1 53.7 24.7 103 104 A G T <<5 + 0 0 51 -3,-1.1 -3,-0.2 -4,-0.6 2,-0.1 0.580 65.2 154.6 99.6 9.1 -4.0 56.7 23.8 104 105 A I < + 0 0 4 -5,-2.9 -1,-0.3 -6,-0.2 3,-0.1 -0.481 11.0 169.2 -68.9 140.7 -0.9 55.1 22.4 105 106 A T + 0 0 88 1,-0.3 34,-2.0 -101,-0.3 2,-0.4 0.496 64.9 42.5-127.0 -17.7 0.9 57.4 19.9 106 107 A E E + d 0 139A 53 -102,-0.2 -100,-2.2 32,-0.2 -1,-0.3 -0.996 67.2 166.3-136.8 128.0 4.2 55.5 19.5 107 108 A A E -bd 6 140A 0 32,-2.1 34,-2.2 -2,-0.4 2,-0.4 -0.935 25.2-149.0-140.8 164.0 4.6 51.8 19.0 108 109 A V E -bd 7 141A 0 -102,-2.3 -100,-2.2 -2,-0.3 2,-0.3 -0.997 21.7-154.9-130.9 133.9 7.1 49.1 17.9 109 110 A S E -bd 8 142A 0 32,-3.1 34,-2.8 -2,-0.4 2,-0.3 -0.820 12.6-178.1-116.3 154.7 6.0 45.9 16.3 110 111 A I E -b 9 0A 0 -102,-2.4 -100,-2.4 -2,-0.3 2,-0.4 -0.992 19.1-138.0-147.4 138.1 7.4 42.4 16.0 111 112 A V E -b 10 0A 4 -2,-0.3 2,-2.6 32,-0.3 -100,-0.2 -0.854 20.5-127.5-100.3 134.7 6.2 39.3 14.2 112 113 A L S S+ 0 0 17 -102,-2.8 146,-0.3 -2,-0.4 -100,-0.2 -0.310 90.1 83.3 -76.7 56.7 6.4 35.9 15.9 113 114 A A S S- 0 0 26 -2,-2.6 -2,-0.2 144,-0.1 144,-0.1 -0.866 72.0-147.6-157.8 117.0 8.2 34.5 12.8 114 115 A P S S+ 0 0 0 0, 0.0 32,-2.4 0, 0.0 33,-1.6 0.744 74.1 71.0 -65.5 -27.2 12.0 35.1 12.6 115 116 A H S S- 0 0 3 30,-0.2 6,-0.3 141,-0.2 2,-0.2 -0.774 78.0-126.8-101.7 137.9 12.4 35.4 8.8 116 117 A F + 0 0 32 -2,-0.4 2,-0.3 5,-0.1 82,-0.2 -0.505 34.2 167.1 -75.5 143.7 11.2 38.2 6.7 117 118 A S > - 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