==== 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 11-OCT-07 2RIL . COMPND 2 MOLECULE: ANTIBIOTIC BIOSYNTHESIS MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA LOIHICA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 95 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 24.2 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 . 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 . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 27.4 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+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 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 136 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.9 27.8 23.9 13.3 2 1 A X - 0 0 184 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.754 360.0-105.9 -91.1 146.5 29.0 22.1 16.4 3 2 A S + 0 0 89 -2,-0.3 61,-0.1 61,-0.1 -1,-0.1 -0.265 43.1 169.2 -63.6 154.4 30.6 18.7 16.3 4 3 A A - 0 0 38 58,-0.0 61,-0.4 0, 0.0 58,-0.1 -0.945 44.4 -72.6-160.6 155.8 28.7 15.7 17.4 5 4 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 58,-0.2 -0.204 52.3-165.5 -53.5 142.2 29.2 11.9 17.1 6 5 A V E -A 62 0A 3 56,-2.3 56,-2.6 58,-0.1 2,-0.5 -0.901 14.6-131.7-129.0 161.4 28.8 10.5 13.6 7 6 A T E -AB 61 91A 20 84,-2.8 84,-2.5 -2,-0.3 2,-0.5 -0.967 9.5-151.2-116.9 126.0 28.4 7.1 12.1 8 7 A L E -AB 60 90A 14 52,-2.8 52,-2.4 -2,-0.5 2,-0.5 -0.852 13.0-170.7 -86.9 128.7 30.4 5.8 9.1 9 8 A I E +AB 59 89A 52 80,-2.6 80,-1.6 -2,-0.5 50,-0.2 -0.995 6.3 178.4-118.4 124.5 28.4 3.2 7.1 10 9 A N E -A 58 0A 24 48,-2.6 48,-2.5 -2,-0.5 2,-0.4 -0.898 9.8-164.2-129.7 96.7 30.5 1.5 4.5 11 10 A P E -A 57 0A 20 0, 0.0 2,-0.4 0, 0.0 76,-0.3 -0.731 13.3-153.2 -82.1 132.4 28.8 -1.2 2.4 12 11 A F E -A 56 0A 17 44,-3.2 44,-1.0 -2,-0.4 2,-0.7 -0.909 14.9-144.4-110.8 134.4 31.2 -3.4 0.5 13 12 A K B -D 85 0B 98 72,-2.8 72,-1.8 -2,-0.4 41,-0.1 -0.857 27.7-159.0 -89.7 113.5 30.7 -5.4 -2.7 14 13 A V - 0 0 17 -2,-0.7 3,-0.1 39,-0.3 5,-0.1 -0.844 16.4-117.7 -99.7 123.9 32.8 -8.5 -2.1 15 14 A P > - 0 0 38 0, 0.0 3,-2.4 0, 0.0 7,-0.1 -0.310 47.2 -80.0 -56.8 147.0 34.0 -10.6 -5.1 16 15 A A T 3 S+ 0 0 89 1,-0.3 35,-0.0 2,-0.1 34,-0.0 -0.170 114.1 2.3 -49.7 132.7 32.7 -14.1 -5.3 17 16 A D T 3 S+ 0 0 146 -3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.488 106.6 99.6 69.1 8.5 34.6 -16.5 -3.0 18 17 A K <> + 0 0 114 -3,-2.4 4,-2.1 1,-0.1 5,-0.2 0.035 35.9 119.1-114.3 27.1 36.8 -13.7 -1.6 19 18 A L H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 76.0 48.7 -60.3 -45.8 35.1 -13.0 1.8 20 19 A E H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 111.0 50.0 -65.6 -41.1 38.0 -13.9 4.0 21 20 A A H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 110.9 50.6 -59.6 -40.7 40.4 -11.8 2.0 22 21 A A H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.916 109.6 50.6 -64.5 -44.2 38.0 -8.9 2.2 23 22 A I H X S+ 0 0 25 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.936 110.8 48.3 -55.1 -46.5 37.7 -9.3 6.0 24 23 A E H X S+ 0 0 103 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.883 111.1 50.0 -69.8 -35.4 41.5 -9.3 6.4 25 24 A Y H X S+ 0 0 128 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.946 111.7 49.6 -60.1 -47.4 41.9 -6.2 4.2 26 25 A W H X S+ 0 0 27 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.920 108.0 53.7 -60.1 -44.4 39.2 -4.5 6.3 27 26 A E H X S+ 0 0 67 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.880 104.7 53.6 -59.8 -40.6 41.0 -5.5 9.6 28 27 A A H X S+ 0 0 53 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.902 112.4 45.4 -60.6 -40.7 44.3 -4.0 8.4 29 28 A H H X S+ 0 0 25 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.898 110.3 53.2 -67.9 -41.9 42.4 -0.8 7.8 30 29 A R H X S+ 0 0 71 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.873 103.9 57.1 -58.6 -41.6 40.6 -1.0 11.1 31 30 A D H < S+ 0 0 94 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.886 110.7 43.9 -60.6 -36.4 43.9 -1.4 12.9 32 31 A F H >< S+ 0 0 46 -4,-1.2 3,-1.4 -3,-0.2 -2,-0.2 0.956 116.2 45.8 -69.5 -49.4 45.0 1.9 11.4 33 32 A X H >< S+ 0 0 20 -4,-2.7 3,-2.1 1,-0.3 6,-0.2 0.870 102.4 64.8 -65.2 -31.7 41.8 3.8 12.1 34 33 A A T 3< S+ 0 0 37 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.688 99.1 55.6 -68.1 -17.3 41.5 2.5 15.6 35 34 A Q T < S+ 0 0 157 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.415 89.3 100.8 -87.7 -1.8 44.7 4.5 16.5 36 35 A Q S X S- 0 0 25 -3,-2.1 3,-1.8 -4,-0.2 31,-0.0 -0.584 84.4 -96.1 -93.5 144.8 43.3 7.8 15.3 37 36 A P T 3 S+ 0 0 85 0, 0.0 34,-0.2 0, 0.0 -1,-0.1 -0.296 108.2 22.4 -54.7 135.4 41.9 10.5 17.5 38 37 A G T 3 S+ 0 0 20 1,-0.3 25,-2.8 24,-0.1 2,-0.3 0.317 80.9 139.8 92.6 -8.3 38.2 10.4 17.8 39 38 A Y E < +C 62 0A 47 -3,-1.8 -1,-0.3 23,-0.2 23,-0.2 -0.564 18.7 167.3 -69.4 126.3 37.7 6.7 16.9 40 39 A L E - 0 0 87 21,-2.4 2,-0.3 1,-0.4 22,-0.2 0.848 49.2 -38.3-107.2 -52.2 35.1 5.2 19.2 41 40 A S E -C 61 0A 59 20,-1.5 20,-2.8 2,-0.0 -1,-0.4 -0.978 44.6-151.4-167.0 166.8 33.9 1.8 18.0 42 41 A T E -C 60 0A 33 -2,-0.3 2,-0.4 18,-0.3 18,-0.2 -0.992 6.4-162.6-150.3 156.3 33.0 -0.4 15.0 43 42 A Q E -C 59 0A 124 16,-1.9 16,-1.9 -2,-0.3 2,-0.6 -0.902 11.0-158.4-137.9 108.0 30.8 -3.3 14.0 44 43 A L E -C 58 0A 50 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.786 17.9-156.2 -87.7 121.1 31.7 -5.1 10.8 45 44 A H E -C 57 0A 88 12,-2.8 12,-2.3 -2,-0.6 2,-0.4 -0.828 5.9-157.9-101.8 137.3 28.5 -6.9 9.7 46 45 A Q E -C 56 0A 113 -2,-0.4 10,-0.2 10,-0.2 9,-0.1 -0.945 24.7-114.9-113.3 135.3 28.5 -10.0 7.4 47 46 A S - 0 0 24 8,-2.3 8,-0.1 -2,-0.4 5,-0.0 -0.346 8.1-143.2 -66.4 142.2 25.4 -10.9 5.4 48 47 A I S S+ 0 0 183 1,-0.1 2,-0.6 -2,-0.0 -1,-0.1 0.822 93.2 61.2 -71.1 -31.1 23.7 -14.2 6.3 49 48 A D S > S- 0 0 111 1,-0.1 3,-1.9 2,-0.0 -2,-0.1 -0.870 75.9-150.8 -97.4 120.1 23.0 -14.7 2.5 50 49 A E T 3 S+ 0 0 128 -2,-0.6 -1,-0.1 1,-0.3 5,-0.1 0.718 95.3 62.6 -63.6 -17.1 26.2 -14.9 0.5 51 50 A G T 3 S+ 0 0 61 3,-0.1 -1,-0.3 4,-0.0 4,-0.1 0.393 73.7 124.1 -90.2 2.0 24.2 -13.5 -2.5 52 51 A A S < S- 0 0 36 -3,-1.9 3,-0.3 1,-0.1 -5,-0.1 -0.265 72.7-120.4 -55.9 149.8 23.4 -10.2 -0.8 53 52 A T S S+ 0 0 97 1,-0.3 2,-0.7 -40,-0.1 -39,-0.3 0.930 109.2 35.1 -54.9 -46.2 24.6 -7.1 -2.7 54 53 A Y + 0 0 80 -41,-0.1 -1,-0.3 1,-0.1 -41,-0.2 -0.882 64.3 179.1-115.4 97.6 26.8 -6.1 0.2 55 54 A Q S S+ 0 0 13 -2,-0.7 -8,-2.3 -43,-0.5 2,-0.4 0.735 79.2 36.7 -72.1 -20.0 28.3 -9.2 1.9 56 55 A L E +AC 12 46A 3 -44,-1.0 -44,-3.2 -10,-0.2 2,-0.4 -0.998 63.1 174.3-128.9 135.9 30.1 -6.8 4.3 57 56 A I E -AC 11 45A 56 -12,-2.3 -12,-2.8 -2,-0.4 2,-0.4 -0.956 16.5-153.8-136.8 117.9 28.9 -3.6 5.8 58 57 A N E -AC 10 44A 11 -48,-2.5 -48,-2.6 -2,-0.4 2,-0.4 -0.771 7.0-169.6 -90.4 141.2 30.9 -1.7 8.4 59 58 A V E +AC 9 43A 34 -16,-1.9 -16,-1.9 -2,-0.4 2,-0.3 -0.957 15.6 174.8-129.3 108.8 29.2 0.6 10.9 60 59 A A E -AC 8 42A 1 -52,-2.4 -52,-2.8 -2,-0.4 2,-0.4 -0.883 22.5-140.5-120.1 149.7 31.7 2.7 12.9 61 60 A I E -AC 7 41A 52 -20,-2.8 -21,-2.4 -2,-0.3 -20,-1.5 -0.921 18.7-175.3-113.5 131.3 31.2 5.5 15.4 62 61 A W E -AC 6 39A 3 -56,-2.6 -56,-2.3 -2,-0.4 -23,-0.2 -0.935 33.3-124.7-122.5 150.4 33.5 8.6 15.5 63 62 A Q S S- 0 0 94 -25,-2.8 2,-0.3 -2,-0.3 -24,-0.1 0.793 88.7 -9.1 -65.3 -28.9 33.5 11.4 18.0 64 63 A S > - 0 0 8 -26,-0.2 4,-2.1 -59,-0.1 -1,-0.2 -0.985 63.7-108.7-160.7 161.8 33.1 14.0 15.2 65 64 A E H > S+ 0 0 75 -61,-0.4 4,-2.9 -2,-0.3 5,-0.2 0.897 118.6 56.0 -57.3 -47.0 33.1 14.6 11.5 66 65 A A H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 106.5 49.7 -55.2 -46.8 36.4 16.4 11.8 67 66 A D H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 112.4 46.9 -60.3 -45.5 38.0 13.4 13.5 68 67 A F H X S+ 0 0 24 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.949 113.5 47.0 -60.0 -47.5 36.8 11.1 10.8 69 68 A Y H X S+ 0 0 120 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.883 111.7 51.4 -63.3 -39.7 37.9 13.3 7.9 70 69 A Q H X S+ 0 0 110 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.915 112.8 46.0 -60.0 -43.1 41.3 13.9 9.5 71 70 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.892 110.2 53.4 -70.4 -41.7 41.8 10.0 9.9 72 71 A A H X S+ 0 0 18 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.901 108.0 50.3 -62.4 -39.7 40.6 9.3 6.4 73 72 A Q H X S+ 0 0 136 -4,-2.0 4,-1.3 1,-0.2 3,-0.4 0.940 111.8 48.1 -63.7 -45.2 43.2 11.7 4.9 74 73 A K H X S+ 0 0 96 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.889 105.8 58.7 -61.2 -36.8 45.9 10.1 7.0 75 74 A X H X S+ 0 0 48 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.835 100.7 56.3 -61.7 -36.2 44.7 6.6 5.8 76 75 A R H X S+ 0 0 157 -4,-1.5 4,-0.6 -3,-0.4 -1,-0.2 0.860 111.7 43.2 -64.4 -37.6 45.3 7.6 2.1 77 76 A Q H < S+ 0 0 177 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.922 121.8 37.4 -72.1 -47.3 48.9 8.4 3.0 78 77 A A H < S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.866 135.2 15.8 -74.5 -45.4 49.6 5.3 5.2 79 78 A L H < 0 0 73 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.1 0.301 360.0 360.0-113.8 4.6 47.6 2.6 3.3 80 79 A G < 0 0 76 -4,-0.6 -1,-0.2 -5,-0.4 -3,-0.2 0.148 360.0 360.0 88.1 360.0 47.0 4.2 -0.1 81 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 82 84 A E 0 0 141 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.5 41.1 -6.6 -6.6 83 85 A G + 0 0 66 1,-0.3 2,-0.3 -69,-0.1 -70,-0.1 0.252 360.0 134.5 90.0 -13.9 37.5 -5.7 -7.2 84 86 A L - 0 0 44 -70,-0.1 2,-0.4 -69,-0.1 -1,-0.3 -0.584 37.6-167.9 -63.7 128.6 36.4 -5.1 -3.6 85 87 A X B -D 13 0B 94 -72,-1.8 -72,-2.8 -2,-0.3 2,-0.1 -0.964 11.3-174.2-134.4 114.5 34.4 -1.9 -3.6 86 88 A G - 0 0 24 -2,-0.4 -74,-0.2 -74,-0.2 -76,-0.1 -0.411 13.5-161.3 -91.6 175.5 33.3 0.2 -0.7 87 89 A N - 0 0 100 -76,-0.3 2,-0.1 -2,-0.1 -78,-0.1 -0.454 20.3-169.1-154.6 64.7 31.1 3.3 -0.6 88 90 A P + 0 0 78 0, 0.0 2,-0.3 0, 0.0 -78,-0.2 -0.390 13.6 160.5 -71.1 141.9 31.7 5.1 2.7 89 91 A A E -B 9 0A 38 -80,-1.6 -80,-2.6 -2,-0.1 2,-0.3 -0.979 34.4-117.0-150.1 157.6 29.5 7.9 3.9 90 92 A L E +B 8 0A 41 -2,-0.3 2,-0.3 -82,-0.2 -82,-0.2 -0.729 35.0 175.7 -97.9 148.1 28.8 9.6 7.2 91 93 A Y E -B 7 0A 117 -84,-2.5 -84,-2.8 -2,-0.3 2,-0.3 -0.902 22.6-147.7-141.3 160.4 25.4 9.6 8.9 92 94 A R - 0 0 106 -2,-0.3 2,-0.4 -86,-0.2 -86,-0.1 -0.967 34.8-105.9-128.9 154.2 23.5 10.6 12.0 93 95 A V + 0 0 112 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.644 39.4 169.8 -79.6 127.2 20.6 8.7 13.6 94 96 A I + 0 0 136 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.599 60.6 22.1-113.4 -20.4 17.3 10.5 12.9 95 97 A R 0 0 196 1,-0.1 -1,-0.3 0, 0.0 0, 0.0 -0.990 360.0 360.0-146.7 151.2 14.6 8.1 14.0 96 98 A T 0 0 197 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.195 360.0 360.0-132.9 360.0 14.3 5.1 16.3