==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-APR-03 1P3T . COMPND 2 MOLECULE: HEME OXYGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR J.FRIEDMAN,L.LAD,R.DESHMUKH,H.LI,A.WILKS,T.L.POULOS . 199 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.5 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 0 1 0 0 0 1 0 1 1 0 0 0 0 1 0 0 1 0 0 0 0 0 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 . 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 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 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 8 A A 0 0 79 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.9 28.3 8.2 7.5 2 9 A L + 0 0 166 4,-0.0 2,-0.3 5,-0.0 3,-0.1 0.174 360.0 58.9-100.5 17.1 30.4 11.3 6.7 3 10 A T S > S- 0 0 35 1,-0.1 4,-1.8 0, 0.0 5,-0.1 -0.969 79.4-122.4-142.1 156.7 29.5 13.3 9.9 4 11 A F H > S+ 0 0 12 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.943 111.5 49.6 -64.1 -49.2 29.8 12.7 13.6 5 12 A A H > S+ 0 0 12 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.830 112.7 48.6 -60.2 -34.1 26.1 13.1 14.4 6 13 A K H > S+ 0 0 131 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.842 108.0 52.8 -76.5 -35.0 25.2 10.6 11.7 7 14 A R H X S+ 0 0 63 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.903 107.1 53.6 -67.2 -38.8 27.8 8.0 12.8 8 15 A L H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.974 111.4 44.6 -56.1 -57.4 26.3 8.1 16.3 9 16 A K H >X S+ 0 0 129 -4,-1.6 4,-1.3 1,-0.2 3,-0.7 0.906 113.6 52.1 -53.1 -46.8 22.8 7.4 15.0 10 17 A A H >< S+ 0 0 61 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.938 111.8 43.3 -57.6 -52.0 24.2 4.7 12.7 11 18 A D H 3< S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.2 4,-0.2 0.543 123.1 39.1 -74.6 -6.3 26.1 2.8 15.5 12 19 A T H S+ 0 0 82 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.977 115.7 40.8 -63.7 -54.2 19.8 -1.0 16.7 15 22 A V H > S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.900 114.1 55.7 -62.2 -36.5 20.2 -0.5 20.4 16 23 A H H X S+ 0 0 79 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.928 106.6 49.5 -59.3 -44.4 17.9 2.5 20.2 17 24 A D H X S+ 0 0 53 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.854 106.5 55.6 -63.8 -33.8 15.2 0.4 18.6 18 25 A S H X S+ 0 0 23 -4,-1.9 4,-2.1 2,-0.2 175,-0.3 0.851 108.7 49.3 -67.1 -31.1 15.6 -2.2 21.4 19 26 A V H X S+ 0 0 15 -4,-1.7 4,-2.9 -3,-0.2 5,-0.2 0.951 110.3 48.8 -71.1 -47.7 15.0 0.6 23.8 20 27 A D H X S+ 0 0 54 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.939 114.3 46.8 -54.4 -52.8 11.9 1.9 22.0 21 28 A N H X S+ 0 0 18 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.895 112.9 48.6 -59.5 -43.8 10.5 -1.7 21.8 22 29 A L H X S+ 0 0 3 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.924 111.0 49.5 -65.2 -43.8 11.2 -2.4 25.5 23 30 A V H >< S+ 0 0 10 -4,-2.9 3,-0.7 1,-0.2 4,-0.2 0.957 115.4 43.3 -59.6 -49.6 9.6 0.8 26.7 24 31 A M H >< S+ 0 0 59 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.2 0.915 107.0 63.3 -62.8 -38.8 6.5 0.2 24.7 25 32 A S H 3< S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.797 99.2 53.5 -56.4 -31.1 6.6 -3.5 25.8 26 33 A V T << S- 0 0 19 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.382 107.7-123.0 -88.6 5.8 6.0 -2.5 29.4 27 34 A Q X - 0 0 111 -3,-2.0 3,-1.2 -4,-0.2 4,-0.3 0.961 34.3-178.3 52.9 66.9 2.9 -0.4 28.8 28 35 A P T 3 S+ 0 0 2 0, 0.0 3,-0.3 0, 0.0 10,-0.2 0.774 82.4 41.9 -64.2 -28.5 3.9 3.0 30.2 29 36 A F T 3 S+ 0 0 29 1,-0.2 3,-0.1 -5,-0.1 -2,-0.1 0.207 83.0 97.9-106.2 16.4 0.5 4.5 29.4 30 37 A V S < S- 0 0 84 -3,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.709 99.0 -9.6 -76.1 -18.7 -1.7 1.6 30.4 31 38 A S > - 0 0 43 -3,-0.3 4,-2.8 -4,-0.3 -1,-0.2 -0.980 68.0-102.9-169.3 163.3 -2.4 3.3 33.8 32 39 A K H > S+ 0 0 119 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.919 121.3 56.5 -60.3 -41.9 -1.4 6.1 36.1 33 40 A E H > S+ 0 0 134 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.952 111.7 40.0 -54.6 -54.6 0.4 3.4 38.2 34 41 A N H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 112.2 56.2 -64.9 -37.6 2.5 2.3 35.2 35 42 A Y H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.913 104.3 54.1 -60.3 -41.6 3.0 5.9 34.0 36 43 A I H X S+ 0 0 24 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.905 106.4 51.6 -58.7 -41.4 4.4 6.7 37.4 37 44 A K H X S+ 0 0 67 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.897 108.3 52.2 -63.1 -37.4 6.9 3.9 36.9 38 45 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 -10,-0.2 -2,-0.2 0.889 108.1 51.0 -64.1 -39.3 7.8 5.4 33.5 39 46 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.868 107.7 52.9 -65.9 -37.1 8.4 8.8 35.2 40 47 A K H X S+ 0 0 56 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.912 109.8 48.0 -64.3 -42.8 10.7 7.2 37.8 41 48 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.954 114.2 46.8 -60.2 -51.3 12.8 5.6 35.0 42 49 A Q H X S+ 0 0 9 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.933 108.9 55.9 -56.5 -49.1 12.9 8.9 33.2 43 50 A S H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.939 108.6 46.6 -48.7 -56.0 13.8 10.7 36.5 44 51 A V H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.929 112.7 48.8 -54.3 -50.8 16.9 8.4 37.0 45 52 A F H X S+ 0 0 4 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.925 115.2 43.1 -59.2 -46.2 18.2 8.7 33.5 46 53 A H H >< S+ 0 0 3 -4,-2.8 3,-0.6 1,-0.2 4,-0.5 0.817 109.7 56.1 -71.8 -29.2 17.9 12.5 33.4 47 54 A K H >< S+ 0 0 90 -4,-2.4 3,-1.2 -5,-0.3 4,-0.5 0.929 104.6 56.9 -65.1 -39.2 19.3 12.8 36.9 48 55 A A H 3< S+ 0 0 3 -4,-2.3 47,-0.3 1,-0.3 -1,-0.2 0.642 111.7 39.3 -66.1 -18.0 22.3 10.9 35.5 49 56 A V T S+ 0 0 16 -3,-1.2 4,-1.3 -4,-0.5 -2,-0.1 0.859 84.2 49.0 -62.3 -36.0 22.3 16.4 34.8 51 58 A H H 4 S+ 0 0 33 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.780 108.7 54.9 -74.7 -25.6 26.0 17.0 35.5 52 59 A I H >4 S+ 0 0 2 -3,-0.2 3,-1.3 1,-0.2 -2,-0.2 0.884 105.6 50.1 -74.7 -38.5 26.8 16.6 31.8 53 60 A Y H 3< S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.880 114.2 46.1 -65.7 -36.8 24.4 19.4 30.8 54 61 A K T 3< S+ 0 0 117 -4,-1.3 2,-0.7 -5,-0.2 -1,-0.3 0.087 82.5 138.0 -91.9 21.6 25.9 21.7 33.4 55 62 A D <> - 0 0 52 -3,-1.3 4,-2.5 1,-0.2 5,-0.2 -0.604 49.3-146.6 -77.6 113.6 29.4 20.8 32.4 56 63 A A T 4 S+ 0 0 78 -2,-0.7 4,-0.4 1,-0.2 3,-0.2 0.878 97.0 45.1 -39.0 -62.0 31.6 24.0 32.3 57 64 A E T >> S+ 0 0 149 1,-0.2 3,-1.6 2,-0.2 4,-0.9 0.913 114.2 49.4 -54.0 -47.8 33.8 22.8 29.4 58 65 A L H 3> S+ 0 0 18 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.829 102.6 61.0 -63.9 -32.5 30.8 21.6 27.4 59 66 A N H 3< S+ 0 0 29 -4,-2.5 -1,-0.3 -3,-0.2 5,-0.3 0.549 100.4 57.8 -72.3 -3.6 29.0 24.8 27.9 60 67 A K H <4 S+ 0 0 191 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.782 111.9 37.7 -91.9 -33.0 31.9 26.5 26.1 61 68 A A H < S+ 0 0 46 -4,-0.9 -2,-0.2 -3,-0.4 -3,-0.1 0.648 126.4 40.3 -89.9 -19.1 31.5 24.4 23.0 62 69 A I S >< S- 0 0 2 -4,-1.8 3,-1.2 -5,-0.2 -1,-0.3 -0.940 84.5-133.4-137.1 113.7 27.7 24.5 23.2 63 70 A P T 3 S- 0 0 75 0, 0.0 -3,-0.1 0, 0.0 89,-0.0 -0.349 84.8 -0.6 -66.8 139.0 25.7 27.6 24.2 64 71 A E T > S+ 0 0 122 -5,-0.3 3,-1.1 1,-0.1 4,-0.3 0.622 84.2 143.0 58.1 15.5 22.9 27.4 26.8 65 72 A L G X + 0 0 0 -3,-1.2 3,-2.9 1,-0.3 4,-0.3 0.928 64.8 58.8 -48.1 -53.8 23.6 23.6 27.1 66 73 A E G > S+ 0 0 81 1,-0.3 3,-1.1 -4,-0.2 -1,-0.3 0.799 99.7 57.9 -47.4 -36.0 22.9 23.7 30.8 67 74 A Y G < S+ 0 0 159 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.486 90.0 73.5 -78.2 -1.3 19.4 25.0 30.2 68 75 A M G < + 0 0 31 -3,-2.9 -1,-0.2 -4,-0.3 -2,-0.2 0.490 69.2 121.4 -88.9 -3.3 18.5 22.1 28.0 69 76 A A < - 0 0 28 -3,-1.1 4,-0.2 -4,-0.3 3,-0.1 -0.350 44.6-166.9 -65.5 137.7 18.2 19.7 31.0 70 77 A R > + 0 0 23 1,-0.1 4,-1.9 2,-0.1 5,-0.2 0.432 60.6 101.8-103.4 -1.8 14.9 18.0 31.6 71 78 A Y H > S+ 0 0 43 -25,-0.3 4,-2.0 1,-0.2 5,-0.2 0.887 83.3 47.6 -50.3 -47.6 15.5 16.6 35.1 72 79 A D H > S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.940 108.7 54.0 -60.9 -47.9 13.4 19.4 36.8 73 80 A A H > S+ 0 0 29 -4,-0.2 4,-1.8 1,-0.2 61,-0.4 0.855 110.3 48.3 -54.5 -37.5 10.5 19.0 34.4 74 81 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.889 110.1 49.4 -71.9 -41.6 10.4 15.2 35.2 75 82 A T H X S+ 0 0 27 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.880 112.7 49.3 -64.2 -35.9 10.5 15.8 38.9 76 83 A Q H X S+ 0 0 63 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.853 107.2 54.3 -70.9 -34.8 7.7 18.3 38.4 77 84 A D H X S+ 0 0 0 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.915 109.1 49.2 -63.8 -39.6 5.8 15.7 36.4 78 85 A L H <>S+ 0 0 1 -4,-2.3 5,-2.9 2,-0.2 3,-0.3 0.896 109.4 52.4 -63.6 -40.1 6.2 13.4 39.4 79 86 A K H ><5S+ 0 0 141 -4,-1.9 3,-2.9 1,-0.2 -2,-0.2 0.969 104.9 54.2 -59.6 -53.1 4.9 16.2 41.6 80 87 A D H 3<5S+ 0 0 40 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.777 107.7 52.4 -51.7 -29.8 1.8 16.7 39.4 81 88 A L T 3<5S- 0 0 8 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.342 124.0-101.9 -90.7 5.9 1.1 13.0 39.9 82 89 A G T < 5S+ 0 0 63 -3,-2.9 2,-0.4 1,-0.3 -3,-0.2 0.684 80.6 131.6 83.1 18.0 1.3 13.1 43.7 83 90 A E < - 0 0 59 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.855 52.8-133.4-108.4 140.6 4.8 11.6 43.8 84 91 A E - 0 0 155 -2,-0.4 -3,-0.0 1,-0.2 -1,-0.0 -0.430 55.0 -64.1 -81.0 162.3 7.8 13.0 45.8 85 92 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.162 58.5-128.3 -48.5 138.3 11.1 13.2 44.0 86 93 A Y - 0 0 52 -3,-0.1 2,-0.4 -47,-0.1 -8,-0.0 -0.729 21.3-165.2 -94.9 143.1 12.4 9.8 43.0 87 94 A K - 0 0 171 -2,-0.3 -43,-0.0 -40,-0.0 -47,-0.0 -0.985 22.3-116.9-133.1 125.7 15.9 8.6 43.9 88 95 A F - 0 0 15 -2,-0.4 4,-0.1 1,-0.1 -47,-0.0 -0.185 15.1-137.4 -58.5 145.6 17.7 5.6 42.4 89 96 A D S S+ 0 0 107 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.993 83.1 42.6 -66.2 -65.9 18.7 2.7 44.6 90 97 A K S S- 0 0 115 1,-0.2 2,-0.4 0, 0.0 0, 0.0 0.237 109.3 -64.0 -68.9-165.0 22.2 2.0 43.4 91 98 A E - 0 0 180 1,-0.0 -1,-0.2 3,-0.0 -2,-0.1 -0.717 52.2-124.3 -88.0 135.4 24.9 4.4 42.5 92 99 A L - 0 0 40 -2,-0.4 -47,-0.0 -4,-0.1 -1,-0.0 -0.634 27.5-108.6 -82.7 132.2 24.1 6.7 39.6 93 100 A P - 0 0 43 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.255 29.1-166.2 -55.1 145.8 26.6 6.7 36.7 94 101 A Y - 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