==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE, FLAVOPROTEIN 09-APR-13 4K2X . COMPND 2 MOLECULE: POLYKETIDE OXYGENASE/HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RIMOSUS; . AUTHOR P.WANG,M.R.SAWAYA,Y.TANG . 978 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 680 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 181 18.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 66 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.4 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 2 4 0 0 2 2 2 6 0 2 0 0 0 0 0 0 2 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 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 PARALLEL BRIDGES PER LADDER . 6 12 1 5 2 2 2 6 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 . 2 6 4 0 4 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 1 A M 0 0 128 0, 0.0 146,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.1 32.9 42.5 19.1 2 2 A R B +a 147 0A 114 144,-0.2 2,-0.3 3,-0.0 146,-0.2 -0.995 360.0 170.6-127.9 129.4 30.0 42.4 16.5 3 3 A Y - 0 0 34 144,-1.9 146,-0.5 -2,-0.4 25,-0.2 -0.804 38.6-124.8-129.6 162.5 29.1 39.4 14.2 4 4 A D S S+ 0 0 40 23,-2.0 146,-1.7 1,-0.3 145,-1.7 0.941 95.6 14.8 -77.0 -50.0 26.1 38.9 12.0 5 5 A V E -de 28 150B 0 22,-1.9 24,-2.6 144,-0.2 2,-0.4 -0.983 62.5-158.5-128.7 139.1 25.2 35.5 13.6 6 6 A V E -de 29 151B 0 144,-2.1 146,-3.0 -2,-0.4 2,-0.5 -0.950 11.7-161.1-113.6 129.4 26.2 33.8 16.8 7 7 A I E -de 30 152B 0 22,-3.4 24,-2.8 -2,-0.4 2,-0.7 -0.974 6.8-151.6-112.2 124.1 25.8 30.0 17.0 8 8 A A E +de 31 153B 4 144,-2.8 146,-2.3 -2,-0.5 24,-0.2 -0.877 68.3 28.5 -95.4 110.9 25.7 28.3 20.5 9 9 A G - 0 0 9 22,-3.5 23,-0.2 -2,-0.7 22,-0.1 0.393 58.2-141.6 108.5 126.8 27.0 24.7 20.0 10 10 A A + 0 0 3 4,-0.1 22,-0.1 20,-0.1 -1,-0.1 -0.173 58.8 124.1-108.4 36.7 29.5 23.0 17.7 11 11 A G S > S- 0 0 22 143,-0.6 4,-2.2 1,-0.0 5,-0.2 -0.132 88.0 -77.0 -76.3-175.5 27.6 19.7 17.3 12 12 A P H > S+ 0 0 12 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.812 132.9 51.7 -59.9 -26.9 26.7 18.6 13.7 13 13 A T H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.939 112.2 43.5 -71.8 -50.4 23.7 21.1 13.5 14 14 A G H > S+ 0 0 0 140,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.877 114.6 50.7 -60.0 -43.9 25.8 24.1 14.6 15 15 A L H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.905 112.6 44.6 -65.2 -44.1 28.7 23.2 12.3 16 16 A M H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.904 112.9 52.5 -67.2 -42.3 26.5 22.7 9.2 17 17 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.920 107.3 52.0 -58.8 -44.5 24.7 26.0 10.0 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.916 110.2 49.2 -56.6 -45.8 28.1 27.8 10.2 19 19 A C H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.927 113.4 46.5 -58.4 -47.1 29.0 26.4 6.8 20 20 A E H X S+ 0 0 2 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.889 110.6 51.1 -65.9 -44.1 25.7 27.5 5.2 21 21 A L H <>S+ 0 0 0 -4,-3.0 5,-2.7 2,-0.2 -1,-0.2 0.847 109.2 51.3 -63.8 -36.3 25.8 31.0 6.8 22 22 A R H ><5S+ 0 0 71 -4,-1.8 3,-2.3 3,-0.2 -2,-0.2 0.929 105.8 54.8 -68.1 -41.6 29.4 31.5 5.4 23 23 A L H 3<5S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.854 108.8 50.4 -56.8 -33.9 28.2 30.5 1.9 24 24 A A T 3<5S- 0 0 35 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.187 122.7-109.7 -88.0 11.9 25.6 33.3 2.3 25 25 A G T < 5 + 0 0 53 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.637 65.2 149.3 69.3 21.1 28.3 35.8 3.3 26 26 A A < - 0 0 0 -5,-2.7 2,-0.6 -22,-0.0 -1,-0.2 -0.731 53.1-123.4 -89.8 132.8 27.4 36.2 7.1 27 27 A R - 0 0 166 -2,-0.4 -23,-2.0 88,-0.1 -22,-1.9 -0.632 44.7-164.5 -70.0 110.1 30.2 36.9 9.7 28 28 A T E -d 5 0B 4 -2,-0.6 88,-2.1 86,-0.2 2,-0.5 -0.913 20.9-164.7-111.5 135.9 29.6 33.9 11.9 29 29 A L E -df 6 116B 0 -24,-2.6 -22,-3.4 -2,-0.4 2,-0.5 -0.957 5.6-163.5-119.1 126.5 30.7 33.1 15.5 30 30 A V E -df 7 117B 2 86,-3.3 88,-3.2 -2,-0.5 2,-0.5 -0.965 3.5-166.5-115.1 115.8 30.5 29.5 16.8 31 31 A L E -df 8 118B 4 -24,-2.8 -22,-3.5 -2,-0.5 2,-0.5 -0.945 4.8-171.1-105.1 118.2 30.7 29.1 20.6 32 32 A E E - f 0 119B 28 86,-2.6 88,-2.6 -2,-0.5 89,-1.8 -0.962 20.2-150.8-116.8 124.7 31.3 25.6 21.9 33 33 A R S S+ 0 0 193 -2,-0.5 89,-0.1 87,-0.2 -1,-0.1 0.865 78.6 79.4 -54.9 -47.1 31.1 24.6 25.7 34 34 A L - 0 0 82 1,-0.1 86,-1.0 87,-0.1 87,-0.3 -0.435 69.9-149.3 -72.4 139.8 33.6 21.8 25.3 35 35 A A S S+ 0 0 62 84,-0.3 84,-0.1 85,-0.2 -1,-0.1 0.803 86.2 20.5 -74.0 -33.0 37.3 22.6 25.2 36 36 A E S S- 0 0 153 84,-0.0 -1,-0.2 83,-0.0 3,-0.1 -0.962 98.9 -90.1-133.1 150.5 38.1 19.6 23.0 37 37 A P - 0 0 78 0, 0.0 -2,-0.0 0, 0.0 63,-0.0 -0.291 51.8 -94.0 -64.0 147.6 35.8 17.6 20.7 38 38 A V - 0 0 35 1,-0.1 -4,-0.0 2,-0.1 0, 0.0 -0.185 24.1-144.7 -54.8 143.2 34.1 14.5 22.2 39 39 A D S S+ 0 0 133 -3,-0.1 2,-0.3 212,-0.1 -1,-0.1 0.332 74.7 66.6 -98.3 -0.5 35.8 11.1 21.7 40 40 A F S S- 0 0 50 60,-0.0 2,-0.5 59,-0.0 -2,-0.1 -0.867 74.3-127.6-118.6 159.3 32.7 8.9 21.3 41 41 A S + 0 0 13 -2,-0.3 3,-0.0 1,-0.2 -2,-0.0 -0.932 20.5 177.6-114.8 127.2 30.0 8.7 18.6 42 42 A K S S+ 0 0 98 -2,-0.5 -1,-0.2 2,-0.0 2,-0.1 0.943 78.9 51.1 -81.4 -65.2 26.2 8.9 19.3 43 43 A A - 0 0 23 1,-0.1 56,-2.2 55,-0.0 57,-0.2 -0.389 64.9-168.5 -71.9 144.7 25.2 8.8 15.6 44 44 A L - 0 0 29 54,-0.2 53,-0.5 1,-0.1 2,-0.3 0.377 64.1 -0.1-116.5 -0.1 26.7 5.9 13.6 45 45 A G - 0 0 22 51,-0.3 2,-0.3 49,-0.0 51,-0.2 -0.956 61.2-113.9-169.5-178.7 25.7 7.0 10.1 46 46 A V B -I 95 0C 2 49,-1.7 49,-2.7 -2,-0.3 2,-0.1 -0.972 33.0-124.3-133.0 139.1 24.0 9.5 7.8 47 47 A H >> - 0 0 16 -2,-0.3 4,-1.7 47,-0.2 3,-0.5 -0.333 34.9 -91.5 -82.8 168.8 20.9 8.8 5.7 48 48 A A H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 325,-0.1 0.779 121.8 54.5 -50.9 -39.9 20.5 9.2 1.9 49 49 A R H 3> S+ 0 0 2 323,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.902 107.0 50.2 -67.0 -39.2 19.1 12.8 2.0 50 50 A T H <> S+ 0 0 1 -3,-0.5 4,-2.8 322,-0.2 5,-0.2 0.913 108.9 53.2 -62.1 -44.3 22.1 14.1 4.1 51 51 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.911 108.0 51.2 -58.1 -41.3 24.5 12.4 1.5 52 52 A E H X S+ 0 0 12 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.890 111.5 47.1 -62.4 -40.0 22.7 14.2 -1.3 53 53 A L H X S+ 0 0 7 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.900 110.7 50.2 -72.0 -37.9 23.1 17.6 0.5 54 54 A L H X>S+ 0 0 1 -4,-2.8 5,-3.4 2,-0.2 6,-0.8 0.900 111.5 50.9 -62.8 -39.4 26.8 16.9 1.2 55 55 A D H ><5S+ 0 0 23 -4,-2.4 3,-1.1 4,-0.3 -2,-0.2 0.919 106.7 53.4 -59.9 -48.5 27.1 16.1 -2.6 56 56 A M H 3<5S+ 0 0 13 -4,-2.3 356,-0.2 1,-0.3 -1,-0.2 0.767 113.5 43.8 -57.4 -29.7 25.4 19.4 -3.4 57 57 A R H 3<5S- 0 0 9 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.515 117.3-111.9 -95.7 -4.9 28.0 21.2 -1.2 58 58 A G T <<5S+ 0 0 46 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.722 93.9 104.3 78.1 27.4 31.0 19.2 -2.6 59 59 A L >>< + 0 0 19 -5,-3.4 3,-1.5 -6,-0.1 4,-0.8 0.558 47.7 93.9-108.0 -19.4 31.6 17.4 0.7 60 60 A G H >> S+ 0 0 1 -6,-0.8 4,-2.2 1,-0.3 3,-0.8 0.805 78.2 58.2 -42.3 -50.3 30.1 14.0 -0.3 61 61 A E H 3> S+ 0 0 182 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.761 102.0 57.0 -56.6 -32.5 33.4 12.4 -1.4 62 62 A G H <4 S+ 0 0 25 -3,-1.5 4,-0.4 2,-0.2 -1,-0.2 0.821 111.0 41.3 -69.1 -36.0 34.8 13.0 2.1 63 63 A F H X< S+ 0 0 2 -4,-0.8 3,-1.4 -3,-0.8 -2,-0.2 0.927 109.0 57.1 -78.8 -46.5 32.1 11.1 3.9 64 64 A Q H 3< S+ 0 0 53 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.639 87.4 78.1 -60.2 -20.8 31.9 8.1 1.4 65 65 A A T 3< S+ 0 0 66 -4,-0.8 2,-2.1 1,-0.3 -1,-0.3 0.894 84.0 65.9 -54.3 -41.1 35.7 7.4 1.9 66 66 A E S < S- 0 0 81 -3,-1.4 -1,-0.3 -4,-0.4 30,-0.2 -0.581 92.6-166.1 -79.5 72.4 34.4 5.7 5.2 67 67 A A + 0 0 57 -2,-2.1 -1,-0.2 28,-0.1 30,-0.1 0.546 37.5 127.1 -41.6 -40.9 32.7 3.2 2.8 68 68 A P - 0 0 69 0, 0.0 28,-3.4 0, 0.0 2,-0.5 -0.040 39.0-164.7 -46.8 118.4 30.1 1.1 4.7 69 69 A K E -J 95 0C 90 26,-0.2 2,-0.7 24,-0.0 26,-0.2 -0.929 10.5-159.9-105.9 124.4 26.7 1.3 2.9 70 70 A L E -J 94 0C 76 24,-3.8 24,-3.1 -2,-0.5 0, 0.0 -0.919 9.5-178.7-105.2 98.5 23.5 0.1 4.7 71 71 A R + 0 0 143 -2,-0.7 13,-1.6 22,-0.3 14,-0.4 0.586 66.5 53.9 -77.4 -12.2 21.0 -0.5 1.8 72 72 A G E S-K 83 0D 34 11,-0.2 2,-0.3 12,-0.1 11,-0.2 -0.925 76.4-139.4-124.3 145.7 18.2 -1.5 4.2 73 73 A G E -K 82 0D 10 9,-1.6 9,-2.2 -2,-0.3 2,-0.4 -0.763 14.7-116.9-107.8 155.9 16.8 0.5 7.1 74 74 A N - 0 0 75 -2,-0.3 2,-0.4 7,-0.2 210,-0.0 -0.711 23.2-178.1 -90.5 132.6 15.7 -0.5 10.6 75 75 A F S > S- 0 0 2 -2,-0.4 3,-1.3 5,-0.2 5,-0.3 -0.901 77.5 -42.7-132.2 99.8 12.0 0.0 11.7 76 76 A A T 3 S- 0 0 5 -2,-0.4 -2,-0.0 1,-0.3 208,-0.0 0.715 98.9 -78.2 49.1 36.0 11.6 -1.0 15.4 77 77 A S T 3 S+ 0 0 97 1,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.880 86.7 146.7 42.5 52.9 13.8 -4.2 14.9 78 78 A L < - 0 0 24 -3,-1.3 -1,-0.1 2,-0.2 -2,-0.1 0.412 64.5-115.2 -94.5 -1.3 10.9 -6.0 13.1 79 79 A G S S+ 0 0 77 1,-0.1 -3,-0.1 -4,-0.1 -5,-0.0 0.390 87.3 106.2 81.4 -2.6 13.1 -8.0 10.7 80 80 A V - 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