==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-AUG-06 2I7G . COMPND 2 MOLECULE: MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR Y.KIM,X.XU,H.ZHENG,A.JOACHIMIAK,A.EDWARDS,A.SAVCHENKO,MIDWES . 689 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 2.8 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 . 2 0.3 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 . 35 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.6 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 0 1 0 0 5 6 0 0 0 4 2 2 0 2 0 0 0 2 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 5 8 3 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 . 4 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 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 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 0 A G 0 0 92 0, 0.0 2,-0.4 0, 0.0 343,-0.1 0.000 360.0 360.0 360.0-125.3 80.5 8.8 63.4 2 1 A X - 0 0 15 341,-0.4 2,-0.5 337,-0.1 307,-0.2 -0.639 360.0-147.5 -85.5 122.5 81.5 9.4 59.7 3 2 A E E -a 309 0A 38 305,-2.7 307,-2.2 -2,-0.4 2,-0.5 -0.773 15.1-160.8 -86.2 130.8 78.9 10.0 57.0 4 3 A L E +a 310 0A 0 -2,-0.5 40,-2.8 305,-0.2 41,-0.8 -0.938 22.9 143.6-116.4 129.2 79.8 8.6 53.6 5 4 A G E -ab 311 45A 0 305,-2.6 307,-2.0 -2,-0.5 2,-0.3 -0.837 36.4-116.6-151.1-169.8 78.2 9.7 50.4 6 5 A L E -ab 312 46A 8 39,-2.2 41,-2.6 305,-0.3 2,-0.3 -0.866 17.6-173.3-130.6 152.7 78.4 10.6 46.7 7 6 A Y E + b 0 47A 13 305,-2.0 307,-0.4 -2,-0.3 308,-0.4 -0.982 7.3 171.9-145.4 157.8 77.9 13.7 44.6 8 7 A T E - b 0 48A 1 39,-1.7 41,-2.0 -2,-0.3 72,-0.1 -0.982 35.4-141.6-156.0 159.1 77.7 14.4 40.9 9 8 A F - 0 0 32 306,-0.6 49,-0.8 -2,-0.3 48,-0.3 0.383 49.8-119.8 -99.7 -2.8 76.9 17.1 38.4 10 9 A A - 0 0 0 305,-0.4 47,-2.3 46,-0.2 48,-0.3 0.977 36.0-153.8 59.5 60.3 75.3 14.6 36.0 11 10 A D B -J 56 0B 7 304,-0.4 2,-0.3 45,-0.2 45,-0.3 -0.307 14.6-174.0 -58.7 144.9 77.6 15.2 33.0 12 11 A V - 0 0 14 43,-2.3 306,-0.1 -2,-0.0 12,-0.1 -0.922 38.9 -84.4-134.5 163.3 76.4 14.6 29.5 13 12 A N - 0 0 52 -2,-0.3 43,-0.1 1,-0.2 10,-0.1 -0.566 34.6-147.7 -62.6 120.8 77.9 14.6 26.0 14 13 A P S S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.669 95.3 36.5 -67.5 -15.7 77.8 18.3 24.9 15 14 A N S S- 0 0 125 4,-0.1 2,-0.1 40,-0.1 40,-0.0 -0.628 81.7-176.7-135.1 71.6 77.3 17.1 21.3 16 15 A P > - 0 0 19 0, 0.0 3,-0.9 0, 0.0 4,-0.1 -0.459 29.2-131.7 -74.3 147.7 75.1 13.9 21.3 17 16 A A T 3 S+ 0 0 115 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 0.823 105.7 40.0 -65.1 -34.9 74.5 12.2 18.0 18 17 A D T 3 S- 0 0 103 1,-0.3 -1,-0.2 2,-0.0 3,-0.1 0.079 123.2 -88.0-110.0 18.9 70.7 12.0 18.6 19 18 A G <> - 0 0 32 -3,-0.9 4,-1.7 1,-0.1 -1,-0.3 0.100 39.0 -80.3 97.4 159.4 70.1 15.4 20.2 20 19 A R H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.790 118.3 59.9 -70.4 -30.2 70.2 16.9 23.6 21 20 A G H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.980 108.3 40.9 -62.1 -60.0 66.7 15.6 24.7 22 21 A P H > S+ 0 0 50 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.912 116.4 52.5 -56.2 -37.8 67.3 11.9 24.4 23 22 A E H X S+ 0 0 41 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.926 111.0 46.2 -62.6 -47.5 70.8 12.4 25.9 24 23 A G H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.887 112.0 51.0 -60.0 -42.6 69.4 14.2 28.9 25 24 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.933 111.5 47.9 -64.8 -46.4 66.6 11.6 29.4 26 25 A R H X S+ 0 0 152 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.946 111.7 50.3 -56.9 -50.6 69.2 8.8 29.3 27 26 A R H X S+ 0 0 20 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.893 110.9 47.7 -58.7 -41.9 71.5 10.6 31.8 28 27 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.874 109.5 54.2 -69.1 -38.9 68.6 11.2 34.3 29 28 A R H X S+ 0 0 124 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.979 113.1 43.3 -48.6 -58.7 67.6 7.5 34.0 30 29 A E H X S+ 0 0 29 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.861 110.9 55.7 -59.1 -41.4 71.1 6.5 34.9 31 30 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.925 106.3 48.8 -61.5 -47.1 71.4 9.1 37.6 32 31 A L H X S+ 0 0 8 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.946 109.5 54.3 -57.8 -43.1 68.3 7.8 39.4 33 32 A E H X S+ 0 0 84 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.887 107.7 50.5 -56.7 -39.8 69.8 4.3 39.1 34 33 A E H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.932 113.0 45.0 -61.2 -46.7 73.0 5.6 40.8 35 34 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.912 112.7 50.4 -68.0 -42.9 71.0 7.1 43.7 36 35 A E H X S+ 0 0 53 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.896 112.8 46.9 -61.3 -41.1 68.7 4.0 44.1 37 36 A L H X S+ 0 0 39 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.936 110.1 53.1 -67.9 -42.8 71.8 1.7 44.3 38 37 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 -2,-0.2 0.899 110.9 47.0 -59.2 -44.0 73.6 4.1 46.7 39 38 A D H ><5S+ 0 0 10 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.922 112.1 51.4 -59.2 -45.5 70.5 3.9 49.0 40 39 A Q H 3<5S+ 0 0 142 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.799 109.1 48.0 -67.1 -34.1 70.4 0.1 48.7 41 40 A V T 3<5S- 0 0 28 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.274 121.4-106.5 -93.3 10.6 74.0 -0.4 49.6 42 41 A G T < 5 + 0 0 36 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.660 58.4 161.5 82.6 18.5 73.6 1.9 52.6 43 42 A L < - 0 0 4 -5,-2.3 -1,-0.2 -6,-0.2 -38,-0.2 -0.401 33.9-139.4 -69.1 150.4 75.4 5.1 51.6 44 43 A D + 0 0 47 -40,-2.8 32,-2.6 1,-0.2 2,-0.3 0.783 69.4 19.3 -91.5 -28.7 74.5 8.1 53.7 45 44 A V E -bc 5 76A 0 -41,-0.8 -39,-2.2 30,-0.2 2,-0.4 -0.997 49.7-165.4-147.0 143.4 74.2 11.1 51.4 46 45 A F E -bc 6 77A 1 30,-2.5 32,-2.3 -2,-0.3 2,-0.3 -0.991 15.5-166.3-133.2 125.0 73.8 11.8 47.7 47 46 A G E -bc 7 78A 0 -41,-2.6 -39,-1.7 -2,-0.4 2,-0.4 -0.853 7.5-164.3-111.1 144.8 74.4 15.3 46.4 48 47 A L E -bc 8 79A 0 30,-2.0 32,-1.8 -2,-0.3 33,-0.2 -0.992 15.7-141.8-128.3 129.4 73.6 16.9 43.0 49 48 A G - 0 0 0 -41,-2.0 2,-0.4 -2,-0.4 32,-0.2 -0.585 13.6-122.2 -94.0 152.5 75.2 20.1 41.8 50 49 A E + 0 0 9 31,-2.1 2,-0.3 -2,-0.2 9,-0.2 -0.758 37.4 165.3 -93.9 126.1 73.5 22.9 39.8 51 50 A H - 0 0 14 7,-2.2 460,-0.1 -2,-0.4 2,-0.1 -0.944 31.2-153.2-138.1 164.5 75.0 23.9 36.4 52 51 A H + 0 0 11 -2,-0.3 457,-0.2 458,-0.1 7,-0.1 -0.536 59.5 98.5-137.9 59.5 73.8 26.0 33.4 53 52 A R S > S- 0 0 21 3,-0.3 3,-1.5 -2,-0.1 -2,-0.1 -0.971 80.2-108.7-149.2 156.2 75.7 24.5 30.4 54 53 A P T 3 S+ 0 0 43 0, 0.0 459,-0.1 0, 0.0 -1,-0.0 0.690 112.9 61.2 -65.2 -16.2 75.2 22.0 27.6 55 54 A D T 3 S+ 0 0 13 -44,-0.1 -43,-2.3 -41,-0.1 2,-0.4 0.348 100.2 58.6 -93.8 11.3 77.5 19.4 29.2 56 55 A Y B < -J 11 0B 7 -3,-1.5 -3,-0.3 -45,-0.3 -45,-0.2 -0.996 59.0-161.5-137.6 138.6 75.4 19.0 32.4 57 56 A V S S+ 0 0 2 -47,-2.3 2,-1.0 -2,-0.4 3,-0.2 0.613 71.3 82.3 -92.8 -13.6 71.8 17.9 32.7 58 57 A V + 0 0 1 -49,-0.8 -7,-2.2 -48,-0.3 -1,-0.1 -0.773 32.6 140.5-102.0 95.3 71.1 19.2 36.3 59 58 A S S S+ 0 0 2 -2,-1.0 -1,-0.2 -9,-0.2 -9,-0.1 0.441 81.7 43.5 -97.1 -10.1 70.2 23.0 36.4 60 59 A S >> + 0 0 10 -3,-0.2 4,-1.4 379,-0.2 3,-0.5 -0.714 64.7 177.0-135.9 81.5 67.6 22.3 39.0 61 60 A P H 3> S+ 0 0 6 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.872 80.7 57.9 -53.4 -40.7 68.9 19.9 41.7 62 61 A S H 3> S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.881 102.9 53.9 -62.0 -36.7 65.7 20.1 43.8 63 62 A T H <> S+ 0 0 0 -3,-0.5 4,-1.0 2,-0.2 -1,-0.2 0.943 113.5 41.3 -62.4 -47.0 63.6 18.9 40.9 64 63 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 3,-0.5 0.901 110.7 56.6 -67.5 -39.8 65.7 15.8 40.4 65 64 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.804 99.4 61.0 -62.3 -30.3 66.0 15.1 44.2 66 65 A A H X S+ 0 0 0 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.889 106.5 46.5 -60.8 -41.0 62.2 15.0 44.4 67 66 A A H < S+ 0 0 0 -4,-1.0 4,-0.4 -3,-0.5 3,-0.4 0.924 112.5 49.4 -64.8 -43.6 62.3 12.1 42.0 68 67 A A H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 4,-0.4 0.889 102.9 64.1 -60.7 -39.8 65.1 10.4 44.0 69 68 A A H >< S+ 0 0 2 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.855 104.4 43.2 -51.9 -45.5 63.0 11.0 47.2 70 69 A V T 3< S+ 0 0 36 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.468 113.4 52.3 -87.1 -1.6 60.2 8.7 46.1 71 70 A K T < S+ 0 0 85 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.205 109.2 54.2-112.7 8.4 62.6 6.0 44.8 72 71 A T < - 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0 0 31 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.914 24.6-150.3-100.1 114.6 65.4 33.3 45.0 89 88 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.774 96.2 58.5 -56.2 -30.9 65.8 31.9 48.6 90 89 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.952 110.3 42.7 -60.5 -50.0 62.0 31.7 48.9 91 90 A R H > S+ 0 0 12 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.899 113.9 51.5 -61.6 -43.4 61.8 29.3 45.9 92 91 A V H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.959 111.8 46.7 -60.7 -46.4 64.9 27.4 47.1 93 92 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.926 113.3 48.7 -59.6 -48.6 63.3 26.9 50.5 94 93 A Q H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.927 113.2 47.7 -58.2 -44.8 59.9 25.8 49.0 95 94 A Q H X S+ 0 0 6 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.949 116.6 41.1 -62.9 -49.3 61.6 23.4 46.6 96 95 A F H X S+ 0 0 3 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.832 112.5 54.9 -69.9 -33.3 63.8 21.7 49.3 97 96 A S H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 73,-0.3 0.900 108.8 49.7 -61.9 -40.7 61.0 21.8 51.9 98 97 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.918 110.0 49.0 -65.2 -43.7 58.9 19.9 49.3 99 98 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 7,-0.3 0.895 109.2 55.6 -59.5 -40.3 61.8 17.4 48.7 100 99 A D H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 6,-0.4 0.930 110.3 43.5 -59.2 -46.1 61.9 17.1 52.6 101 100 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.921 114.0 49.9 -62.6 -45.8 58.2 16.2 52.7 102 101 A L H 3<5S+ 0 0 13 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.824 117.4 41.8 -63.4 -32.6 58.5 13.7 49.7 103 102 A S T 3<5S- 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.274 111.8-116.4 -98.3 5.2 61.5 12.0 51.4 104 103 A N T < 5S- 0 0 112 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.891 84.8 -30.5 56.5 45.9 60.1 12.0 55.0 105 104 A G S + 0 0 122 -2,-0.3 3,-0.8 1,-0.1 10,-0.1 0.301 59.6 104.4-125.2 8.4 79.9 31.5 36.3 118 117 A E T 3> S+ 0 0 35 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.726 72.2 67.6 -67.2 -23.8 77.1 30.8 33.8 119 118 A S H 3> S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 6,-0.2 0.858 91.3 61.9 -69.6 -31.5 74.3 31.5 36.3 120 119 A Y H <>>S+ 0 0 17 -3,-0.8 5,-2.3 1,-0.2 4,-1.0 0.941 108.1 38.0 -63.3 -51.2 75.1 35.2 36.5 121 120 A P H 45S+ 0 0 54 0, 0.0 385,-0.4 0, 0.0 -1,-0.2 0.824 117.3 54.0 -65.9 -30.0 74.5 36.3 32.9 122 121 A L H <5S+ 0 0 3 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.916 118.0 33.0 -69.2 -42.1 71.6 33.9 32.7 123 122 A F H <5S- 0 0 9 -4,-2.6 -1,-0.2 -5,-0.1 -3,-0.1 0.392 115.1-105.9-101.2 5.8 69.8 35.4 35.8 124 123 A G T <5S+ 0 0 40 -4,-1.0 2,-0.3 1,-0.2 -4,-0.1 0.729 70.4 135.9 85.6 26.0 70.9 39.0 35.4 125 124 A Y < - 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