==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-APR-13 4K5S . COMPND 2 MOLECULE: OXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ARGILLACEUS; . AUTHOR N.NOINAJ,M.A.BOSSERMAN,J.ROHR,S.K.BUCHANAN . 490 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 17.6 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 2 1 0 0 1 0 0 5 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 3 4 2 2 2 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 1 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 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 10 A A 0 0 42 0, 0.0 150,-0.2 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 -28.1 4.7 38.1 34.6 2 11 A L + 0 0 140 148,-0.1 148,-0.1 1,-0.1 3,-0.1 0.776 360.0 47.7 -91.3 -30.0 5.6 41.8 34.4 3 12 A T S S- 0 0 68 146,-1.0 2,-0.3 1,-0.3 147,-0.2 0.963 127.8 -31.4 -73.3 -51.4 7.3 42.3 31.0 4 13 A T E -a 150 0A 20 145,-1.7 147,-0.5 1,-0.1 -1,-0.3 -0.962 50.6-114.2-156.9 170.7 4.7 40.4 29.0 5 14 A D E S+ 0 0 51 1,-0.3 146,-1.8 -2,-0.3 147,-1.5 0.953 101.0 13.5 -76.0 -54.5 2.2 37.5 29.3 6 15 A V E -ab 152 29A 0 22,-1.6 24,-2.2 145,-0.2 2,-0.6 -0.983 64.5-153.0-127.9 128.0 3.9 35.2 26.8 7 16 A V E -ab 153 30A 0 145,-2.5 147,-2.4 -2,-0.4 2,-0.7 -0.884 12.6-156.5 -96.9 120.5 7.4 35.5 25.2 8 17 A V E -ab 154 31A 0 22,-2.9 24,-2.8 -2,-0.6 2,-0.7 -0.874 6.5-151.8 -97.4 114.7 7.6 33.8 21.8 9 18 A V E +ab 155 32A 8 145,-2.7 147,-2.9 -2,-0.7 24,-0.2 -0.805 67.4 27.8 -92.2 113.6 11.1 32.8 21.0 10 19 A G - 0 0 7 22,-2.8 23,-0.2 -2,-0.7 22,-0.1 0.357 62.8-142.4 105.6 118.8 11.7 32.8 17.3 11 20 A G + 0 0 4 4,-0.1 22,-0.1 20,-0.1 -1,-0.1 -0.296 57.6 125.2-106.1 44.6 9.9 35.0 14.7 12 21 A G S > S- 0 0 22 144,-0.5 4,-2.5 26,-0.0 5,-0.2 -0.225 86.4 -77.7 -77.1-173.3 9.7 32.4 11.9 13 22 A P H > S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.893 133.7 49.7 -59.4 -40.7 6.2 31.6 10.5 14 23 A V H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.936 112.3 46.0 -64.4 -46.4 5.3 29.4 13.5 15 24 A G H > S+ 0 0 0 141,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.895 114.6 48.8 -60.9 -38.9 6.3 32.0 16.1 16 25 A L H X S+ 0 0 3 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.919 110.8 49.6 -70.1 -42.1 4.5 34.7 14.1 17 26 A M H X S+ 0 0 4 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.920 111.2 50.4 -58.9 -46.3 1.3 32.6 13.8 18 27 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.895 107.4 52.8 -61.1 -43.2 1.4 31.9 17.5 19 28 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.894 108.7 50.6 -59.6 -41.1 1.7 35.6 18.4 20 29 A G H X S+ 0 0 3 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.924 111.3 49.1 -61.5 -43.5 -1.3 36.3 16.3 21 30 A E H X S+ 0 0 6 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.883 109.8 50.3 -64.7 -40.3 -3.2 33.6 18.1 22 31 A L H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 -1,-0.2 0.889 111.1 49.1 -65.8 -39.2 -2.2 34.9 21.5 23 32 A R H ><5S+ 0 0 80 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.903 107.6 53.8 -65.8 -41.3 -3.3 38.4 20.6 24 33 A A H 3<5S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 106.3 55.6 -60.8 -26.2 -6.6 37.0 19.4 25 34 A G T 3<5S- 0 0 22 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.396 121.0-111.4 -88.8 1.8 -6.8 35.4 22.8 26 35 A G T < 5S+ 0 0 41 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.742 76.4 117.7 77.8 25.6 -6.4 38.8 24.5 27 36 A V < - 0 0 2 -5,-2.2 -1,-0.3 -22,-0.0 -2,-0.1 -0.880 68.8 -95.0-121.8 160.2 -3.0 38.3 26.0 28 37 A G - 0 0 18 -2,-0.3 -22,-1.6 -3,-0.1 2,-0.4 -0.422 37.2-170.6 -70.3 142.1 0.4 40.0 25.5 29 38 A A E -b 6 0A 5 87,-0.3 89,-2.5 -24,-0.2 2,-0.6 -0.967 9.0-173.8-140.3 119.2 2.8 38.5 23.1 30 39 A L E -bc 7 118A 2 -24,-2.2 -22,-2.9 -2,-0.4 2,-0.5 -0.966 11.9-156.7-113.6 115.7 6.4 39.5 22.7 31 40 A V E -bc 8 119A 0 87,-3.4 89,-3.0 -2,-0.6 2,-0.6 -0.821 3.2-163.4 -92.8 124.1 8.3 37.8 19.8 32 41 A L E -bc 9 120A 2 -24,-2.8 -22,-2.8 -2,-0.5 2,-0.5 -0.944 10.1-175.7-109.2 112.5 12.1 37.7 20.1 33 42 A E E - c 0 121A 25 87,-2.9 90,-2.5 -2,-0.6 89,-1.7 -0.941 20.3-151.9-115.4 125.7 13.8 37.0 16.7 34 43 A K S S+ 0 0 113 -2,-0.5 2,-0.2 88,-0.3 90,-0.2 0.868 74.9 75.3 -61.7 -42.5 17.5 36.5 16.5 35 44 A L - 0 0 69 1,-0.1 87,-0.8 87,-0.1 88,-0.2 -0.513 64.8-152.7 -79.3 140.8 17.9 37.7 12.9 36 45 A V S S+ 0 0 101 85,-0.3 -1,-0.1 -2,-0.2 85,-0.1 0.890 87.1 25.5 -72.8 -40.8 17.7 41.3 11.9 37 46 A E S S- 0 0 137 1,-0.0 -1,-0.2 84,-0.0 85,-0.0 -0.933 91.7-103.8-126.1 143.4 16.5 40.4 8.5 38 47 A P - 0 0 72 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.231 37.7-139.5 -57.8 155.2 14.6 37.3 7.2 39 48 A V - 0 0 76 1,-0.1 2,-0.1 -4,-0.0 -4,-0.0 -0.647 26.2 -76.8-114.1 175.5 16.7 34.7 5.2 40 49 A G + 0 0 37 -2,-0.2 2,-0.3 61,-0.0 -1,-0.1 -0.373 44.6 172.6 -77.2 148.7 16.0 32.7 2.1 41 50 A H - 0 0 48 -2,-0.1 61,-0.0 1,-0.1 -1,-0.0 -0.802 51.9 -52.8-137.1 177.6 13.8 29.5 1.9 42 51 A D - 0 0 49 -2,-0.3 59,-0.7 1,-0.2 60,-0.4 -0.361 47.2-141.5 -53.2 134.7 12.6 27.3 -0.8 43 52 A R S S+ 0 0 105 57,-0.1 2,-0.5 58,-0.1 -1,-0.2 0.571 86.8 68.8 -79.8 -11.0 10.8 29.6 -3.3 44 53 A A + 0 0 49 56,-0.1 2,-0.3 55,-0.1 57,-0.1 -0.941 68.9 172.4-106.4 131.1 8.1 27.0 -3.8 45 54 A G - 0 0 18 -2,-0.5 2,-0.3 55,-0.1 -2,-0.0 -0.866 18.6-153.1-133.2 168.8 5.8 26.4 -0.9 46 55 A A - 0 0 28 -2,-0.3 2,-0.5 52,-0.2 245,-0.3 -0.958 8.4-173.6-149.9 124.7 2.6 24.5 -0.1 47 56 A L B -H 97 0B 3 50,-2.4 50,-2.7 -2,-0.3 241,-0.1 -0.984 27.6-150.0-115.8 118.8 -0.1 25.0 2.4 48 57 A H >> - 0 0 3 -2,-0.5 4,-2.8 48,-0.2 3,-0.8 -0.220 30.4 -77.7 -90.3 179.5 -2.5 22.1 2.3 49 58 A I H 3> S+ 0 0 0 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.801 124.9 44.6 -42.8 -56.1 -6.2 21.7 3.0 50 59 A R H 3> S+ 0 0 11 324,-2.0 4,-1.9 2,-0.2 -1,-0.3 0.835 115.4 49.6 -70.1 -29.3 -6.3 21.7 6.8 51 60 A T H <> S+ 0 0 2 -3,-0.8 4,-3.1 323,-0.4 5,-0.2 0.947 112.1 48.3 -67.4 -48.6 -3.9 24.6 6.9 52 61 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.912 112.4 48.7 -54.0 -45.3 -6.1 26.5 4.4 53 62 A E H X S+ 0 0 6 -4,-3.1 4,-1.7 -5,-0.2 -1,-0.2 0.895 111.6 50.8 -63.6 -39.2 -9.2 25.6 6.5 54 63 A T H X S+ 0 0 8 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.926 108.4 49.7 -64.8 -47.4 -7.3 26.9 9.6 55 64 A L H ><>S+ 0 0 4 -4,-3.1 5,-3.0 1,-0.2 6,-0.8 0.878 108.7 56.1 -56.5 -39.1 -6.3 30.2 7.9 56 65 A D H ><5S+ 0 0 11 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.908 103.6 51.2 -60.2 -43.9 -10.0 30.6 6.9 57 66 A L H 3<5S+ 0 0 0 -4,-1.7 361,-0.3 1,-0.3 -1,-0.2 0.580 112.7 47.6 -78.8 -3.6 -11.3 30.3 10.5 58 67 A R T <<5S- 0 0 19 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.320 116.6-114.7-109.8 5.0 -8.8 32.9 11.5 59 68 A G T < 5S+ 0 0 28 -3,-1.4 -3,-0.2 -4,-0.2 4,-0.2 0.726 88.7 108.2 72.1 23.9 -9.8 35.2 8.6 60 69 A L >< + 0 0 2 -5,-3.0 4,-1.5 -6,-0.2 3,-0.3 0.513 46.3 91.1-106.5 -8.7 -6.4 35.0 6.9 61 70 A L H > S+ 0 0 6 -6,-0.8 4,-1.6 1,-0.2 3,-0.4 0.915 81.2 57.3 -57.5 -47.0 -7.3 32.9 3.9 62 71 A D H > S+ 0 0 111 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.894 108.6 44.9 -52.0 -46.7 -8.2 35.8 1.6 63 72 A R H 4 S+ 0 0 80 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.789 112.6 52.8 -72.8 -26.2 -4.7 37.4 1.9 64 73 A F H < S+ 0 0 1 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.705 110.9 46.8 -77.9 -21.4 -3.0 34.0 1.4 65 74 A L H >< S+ 0 0 50 -4,-1.6 3,-2.1 -3,-0.4 2,-0.3 0.710 82.7 109.2 -93.4 -23.6 -5.0 33.3 -1.8 66 75 A E T 3< S- 0 0 125 -4,-1.4 3,-0.1 1,-0.3 -3,-0.0 -0.342 99.6 -3.7 -59.9 114.9 -4.4 36.6 -3.5 67 76 A G T 3 S+ 0 0 88 -2,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.570 105.6 140.0 79.2 5.9 -2.1 36.2 -6.4 68 77 A T < - 0 0 24 -3,-2.1 2,-0.3 31,-0.0 -1,-0.2 -0.664 49.6-139.3 -92.7 132.0 -1.6 32.5 -5.5 69 78 A Q - 0 0 154 29,-0.5 29,-2.5 -2,-0.3 2,-0.3 -0.685 24.6-158.9 -78.6 140.5 -1.3 29.5 -7.7 70 79 A V E -I 97 0B 60 -2,-0.3 2,-0.4 27,-0.2 27,-0.2 -0.913 10.7-138.9-120.1 151.1 -3.2 26.5 -6.3 71 80 A A E -I 96 0B 24 25,-2.6 25,-2.6 -2,-0.3 3,-0.1 -0.920 2.5-159.7-107.3 133.1 -2.8 22.8 -7.0 72 81 A K S S+ 0 0 139 -2,-0.4 14,-0.6 23,-0.2 2,-0.3 0.459 78.5 8.7 -92.3 -1.3 -6.0 20.8 -7.4 73 82 A G E S-J 85 0C 32 12,-0.1 12,-0.1 23,-0.1 23,-0.1 -0.935 70.4-135.4-162.7 176.4 -4.1 17.5 -6.7 74 83 A L E -J 84 0C 27 10,-0.8 10,-3.0 -2,-0.3 2,-0.0 -0.993 15.1-121.3-144.5 148.2 -0.7 16.2 -5.6 75 84 A P E - 0 0 61 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.318 27.6-137.8 -74.9 172.7 1.9 13.6 -6.5 76 85 A F E > S-J 79 0C 4 3,-2.0 3,-1.4 1,-0.1 6,-0.1 -0.950 70.0 -26.1-137.0 120.1 2.8 11.1 -3.9 77 86 A A T 3 S- 0 0 6 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.882 127.2 -47.0 46.8 48.9 6.4 10.0 -3.3 78 87 A G T 3 S+ 0 0 10 1,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.705 108.2 128.5 68.6 20.3 7.4 10.8 -6.9 79 88 A I E < +J 76 0C 9 -3,-1.4 -3,-2.0 1,-0.1 -1,-0.2 -0.957 25.2 167.5-104.3 124.5 4.4 9.0 -8.4 80 89 A F E + 0 0 116 -2,-0.5 3,-0.5 -5,-0.2 -1,-0.1 0.483 58.2 72.9-116.5 -7.9 2.5 11.4 -10.8 81 90 A T E S+ 0 0 101 1,-0.2 2,-0.1 2,-0.0 -1,-0.1 0.699 106.0 33.9 -88.8 -20.9 0.0 9.2 -12.7 82 91 A Q E S- 0 0 76 -6,-0.1 -1,-0.2 -8,-0.0 3,-0.1 -0.523 87.8-168.6-129.2 65.3 -2.5 8.6 -9.8 83 92 A G E - 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