==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 05-APR-12 4EIP . COMPND 2 MOLECULE: PUTATIVE FAD-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LECHEVALIERIA AEROCOLONIGENES; . AUTHOR P.J.GOLDMAN,K.S.RYAN,A.R.HOWARD-JONES,M.J.HAMILL,S.J.ELLIOTT . 1031 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 689 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 94 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.3 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 8 0 2 3 4 1 0 5 0 0 1 0 1 0 0 0 1 1 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 4 0 2 2 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 . 5 8 4 6 0 2 4 0 2 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 2 2 0 0 2 2 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 4 A P 0 0 131 0, 0.0 2,-0.3 0, 0.0 159,-0.2 0.000 360.0 360.0 360.0 108.2 -10.1 55.7 34.0 2 5 A I E -a 160 0A 114 157,-1.6 159,-3.3 1,-0.0 2,-0.4 -0.593 360.0-153.2 -85.8 141.7 -10.3 54.0 37.4 3 6 A E E +a 161 0A 150 -2,-0.3 2,-0.3 157,-0.2 159,-0.2 -0.927 19.8 162.8-123.4 142.1 -7.2 53.7 39.5 4 7 A T E -a 162 0A 28 157,-1.9 159,-1.0 -2,-0.4 160,-0.2 -0.955 43.0-118.7-145.6 159.8 -6.0 51.3 42.2 5 8 A D E S+ 0 0 62 -2,-0.3 159,-1.5 1,-0.2 158,-0.6 0.937 100.5 18.6 -67.9 -46.5 -2.6 50.4 43.8 6 9 A V E -ab 164 29A 0 22,-1.3 24,-1.3 157,-0.2 2,-0.6 -0.990 65.1-158.1-130.7 130.6 -2.7 46.8 42.7 7 10 A L E -ab 165 30A 3 157,-2.6 159,-2.7 -2,-0.4 2,-0.6 -0.933 13.6-154.8-106.3 122.1 -4.7 45.1 39.9 8 11 A I E -ab 166 31A 0 22,-3.5 24,-2.6 -2,-0.6 2,-0.9 -0.855 2.1-156.3-102.6 120.9 -5.2 41.4 40.4 9 12 A L E +ab 167 32A 17 157,-2.9 159,-3.1 -2,-0.6 24,-0.2 -0.822 66.6 34.1 -98.1 102.5 -5.9 39.3 37.3 10 13 A G - 0 0 8 22,-2.6 23,-0.2 -2,-0.9 22,-0.1 -0.005 56.9-147.1 122.4 130.5 -7.6 36.1 38.3 11 14 A G + 0 0 19 4,-0.1 22,-0.1 20,-0.1 158,-0.1 -0.055 58.6 116.7-118.0 29.4 -10.1 35.3 41.1 12 15 A G S > S- 0 0 33 156,-0.4 4,-2.4 1,-0.0 5,-0.2 -0.186 89.3 -75.1 -79.4-175.4 -9.0 31.7 41.9 13 16 A P H > S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.866 132.0 49.2 -51.2 -45.2 -7.7 30.7 45.3 14 17 A V H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.947 111.9 46.2 -62.7 -51.9 -4.2 32.3 44.7 15 18 A G H > S+ 0 0 1 153,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.874 114.0 49.9 -58.0 -38.8 -5.6 35.7 43.5 16 19 A M H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.853 107.3 54.2 -69.4 -36.2 -8.0 35.7 46.4 17 20 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.918 108.8 48.6 -61.6 -43.8 -5.2 34.9 48.9 18 21 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.897 109.9 52.5 -64.1 -39.9 -3.2 37.9 47.5 19 22 A A H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.908 109.5 49.0 -60.2 -43.2 -6.3 40.1 47.9 20 23 A L H X S+ 0 0 13 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.859 111.5 49.2 -66.2 -35.9 -6.7 39.0 51.5 21 24 A D H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.906 111.7 48.5 -71.0 -40.7 -3.1 39.7 52.3 22 25 A L H <>S+ 0 0 0 -4,-2.5 5,-3.0 2,-0.2 -2,-0.2 0.903 111.3 49.9 -64.5 -41.1 -3.3 43.2 50.7 23 26 A A H ><5S+ 0 0 34 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.884 108.6 53.7 -62.6 -39.7 -6.5 43.9 52.7 24 27 A H H 3<5S+ 0 0 62 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.821 112.8 43.5 -61.2 -33.4 -4.7 42.8 55.8 25 28 A R T 3<5S- 0 0 21 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.208 115.7-115.8 -99.9 12.6 -1.9 45.3 55.0 26 29 A Q T < 5 + 0 0 148 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.866 61.9 152.4 51.3 44.6 -4.3 48.1 54.0 27 30 A V < - 0 0 1 -5,-3.0 -1,-0.2 -6,-0.1 2,-0.2 -0.913 48.3-119.2-104.6 127.1 -3.2 48.1 50.4 28 31 A G + 0 0 25 -2,-0.5 -22,-1.3 -5,-0.0 2,-0.3 -0.437 49.5 154.5 -66.0 130.3 -5.7 49.3 47.8 29 32 A H E -b 6 0A 5 -24,-0.2 2,-0.3 -2,-0.2 -22,-0.2 -0.909 32.2-148.7-151.2 177.1 -6.4 46.6 45.3 30 33 A L E -b 7 0A 41 -24,-1.3 -22,-3.5 -2,-0.3 2,-0.5 -0.972 8.4-151.5-155.9 132.0 -8.9 45.2 42.8 31 34 A V E -bc 8 129A 0 97,-3.2 99,-3.0 -2,-0.3 2,-0.4 -0.937 10.7-171.3-110.9 129.5 -9.6 41.6 41.6 32 35 A V E +bc 9 130A 4 -24,-2.6 -22,-2.6 -2,-0.5 2,-0.3 -0.964 10.7 170.4-118.4 137.4 -11.0 40.9 38.2 33 36 A D - 0 0 40 97,-2.3 100,-2.5 -2,-0.4 2,-1.6 -0.994 37.8-127.7-149.7 136.9 -12.2 37.4 37.1 34 37 A A S S+ 0 0 59 -2,-0.3 2,-0.3 98,-0.3 97,-0.1 -0.620 85.6 43.8 -83.5 81.6 -14.0 35.9 34.2 35 38 A G S S- 0 0 12 -2,-1.6 97,-2.5 1,-0.1 98,-0.2 -0.936 84.3-104.2 164.8 178.6 -16.7 34.1 36.1 36 39 A D - 0 0 90 -2,-0.3 95,-0.1 2,-0.2 3,-0.1 0.661 62.1 -98.7-101.6 -21.6 -19.2 34.4 39.0 37 40 A G S S+ 0 0 28 1,-0.2 2,-0.6 -3,-0.1 85,-0.1 0.658 85.1 126.2 101.1 26.7 -17.4 32.3 41.6 38 41 A T - 0 0 95 80,-0.1 2,-0.5 81,-0.0 -1,-0.2 -0.934 49.3-152.3-118.6 105.0 -19.4 29.2 41.0 39 42 A I - 0 0 55 -2,-0.6 76,-0.0 1,-0.2 -4,-0.0 -0.662 12.3-174.6 -78.6 120.5 -17.3 26.2 40.2 40 43 A T S S+ 0 0 127 -2,-0.5 -1,-0.2 1,-0.3 75,-0.0 0.802 85.2 32.6 -81.9 -32.1 -19.2 23.7 38.0 41 44 A H S S- 0 0 31 73,-0.0 -1,-0.3 225,-0.0 2,-0.0 -0.777 85.4-148.9-127.8 88.1 -16.4 21.2 38.3 42 45 A P + 0 0 7 0, 0.0 3,-0.1 0, 0.0 187,-0.0 -0.314 22.2 171.9 -54.7 128.4 -14.7 21.4 41.7 43 46 A K + 0 0 103 1,-0.2 2,-0.2 -2,-0.0 193,-0.0 0.833 53.0 47.1-104.4 -70.2 -11.0 20.4 41.3 44 47 A V + 0 0 43 1,-0.1 70,-1.5 68,-0.0 -1,-0.2 -0.479 46.0 159.6 -82.5 148.7 -9.0 21.0 44.5 45 48 A S + 0 0 7 68,-0.2 67,-2.9 -2,-0.2 2,-0.5 0.549 48.5 81.2-139.2 -21.9 -10.1 20.0 48.0 46 49 A T E -H 111 0B 42 65,-0.2 2,-0.6 63,-0.0 65,-0.2 -0.832 52.5-163.7-103.5 125.3 -7.1 19.8 50.4 47 50 A I E -H 110 0B 0 63,-3.2 63,-2.4 -2,-0.5 5,-0.0 -0.928 22.4-130.0-108.4 120.3 -5.7 22.9 52.0 48 51 A G > - 0 0 2 -2,-0.6 4,-2.0 251,-0.2 5,-0.1 -0.172 20.6-109.3 -68.0 162.6 -2.2 22.4 53.5 49 52 A P H > S+ 0 0 13 0, 0.0 4,-1.6 0, 0.0 58,-0.1 0.766 117.0 52.2 -66.1 -30.3 -1.2 23.4 57.0 50 53 A R H > S+ 0 0 38 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.896 109.7 50.0 -71.0 -42.3 1.0 26.4 56.0 51 54 A S H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 110.0 51.4 -58.6 -41.4 -1.9 27.7 53.9 52 55 A M H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.849 105.0 55.3 -65.8 -34.7 -4.1 27.3 56.9 53 56 A E H X S+ 0 0 9 -4,-1.6 4,-1.5 54,-0.2 -1,-0.2 0.864 110.9 46.2 -63.5 -35.1 -1.6 29.2 59.1 54 57 A L H X S+ 0 0 4 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.881 110.2 51.4 -74.4 -39.8 -1.9 32.0 56.5 55 58 A F H <>S+ 0 0 2 -4,-2.5 5,-2.8 2,-0.2 6,-0.8 0.800 106.8 56.1 -65.3 -28.0 -5.7 31.8 56.5 56 59 A R H ><5S+ 0 0 64 -4,-1.8 3,-0.8 4,-0.2 -2,-0.2 0.914 105.9 50.7 -67.4 -44.2 -5.6 32.1 60.3 57 60 A R H 3<5S+ 0 0 40 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.894 112.6 45.8 -56.1 -44.4 -3.6 35.3 59.9 58 61 A W T 3<5S- 0 0 25 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.470 116.5-114.8 -85.2 -3.0 -6.3 36.7 57.5 59 62 A G T < 5S+ 0 0 49 -3,-0.8 -3,-0.2 -4,-0.5 4,-0.2 0.742 89.3 98.7 81.3 27.3 -9.1 35.6 59.8 60 63 A V >< + 0 0 4 -5,-2.8 4,-1.4 -8,-0.1 -4,-0.2 0.263 47.7 97.6-126.4 10.9 -10.8 32.9 57.6 61 64 A A H > S+ 0 0 7 -6,-0.8 4,-2.1 2,-0.2 5,-0.2 0.922 82.9 52.0 -67.4 -44.4 -9.4 29.7 59.0 62 65 A K H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 109.4 47.7 -60.0 -48.4 -12.4 29.0 61.3 63 66 A Q H 4 S+ 0 0 86 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.808 108.8 55.9 -68.0 -28.0 -15.0 29.3 58.5 64 67 A I H >< S+ 0 0 2 -4,-1.4 3,-1.1 1,-0.2 -1,-0.2 0.932 110.0 45.7 -63.0 -45.4 -12.9 27.1 56.2 65 68 A R H 3< S+ 0 0 77 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.844 117.0 42.5 -68.2 -34.9 -13.0 24.3 58.9 66 69 A T T 3< S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.157 82.1 109.8 -97.1 18.8 -16.7 24.6 59.7 67 70 A A S < S- 0 0 35 -3,-1.1 -1,-0.2 -5,-0.1 -2,-0.1 0.599 102.5 -73.5 -76.3 -11.4 -17.7 24.9 56.0 68 71 A G S S+ 0 0 20 -3,-0.4 -2,-0.1 1,-0.3 -1,-0.1 0.329 82.0 136.5 141.5 -12.8 -19.3 21.5 55.8 69 72 A W - 0 0 25 42,-0.3 -1,-0.3 -4,-0.2 162,-0.1 -0.516 64.2-109.5 -63.1 125.7 -16.7 18.7 55.8 70 73 A P > - 0 0 10 0, 0.0 3,-1.2 0, 0.0 26,-0.4 -0.370 15.8-141.9 -64.1 130.4 -18.1 16.0 58.2 71 74 A G T 3 S+ 0 0 18 1,-0.2 26,-2.2 25,-0.1 27,-0.3 0.627 99.6 49.4 -67.2 -14.4 -16.1 15.8 61.4 72 75 A D T 3 S+ 0 0 105 24,-0.1 -1,-0.2 23,-0.1 22,-0.0 0.354 80.1 113.0-109.7 4.8 -16.6 12.0 61.5 73 76 A H S < S- 0 0 3 -3,-1.2 23,-0.5 1,-0.1 24,-0.1 -0.656 73.8-112.6 -76.7 128.0 -15.5 11.2 57.9 74 77 A P B -I 95 0C 22 0, 0.0 21,-0.2 0, 0.0 -1,-0.1 -0.252 16.4-154.6 -58.2 147.2 -12.2 9.2 57.8 75 78 A L + 0 0 10 19,-2.5 20,-0.1 136,-0.1 136,-0.1 0.254 48.4 133.9-106.1 9.5 -9.2 11.0 56.4 76 79 A D - 0 0 18 18,-0.3 136,-1.9 134,-0.2 137,-1.6 -0.078 48.8-142.3 -62.4 154.8 -7.4 7.8 55.3 77 80 A A E -Jk 91 213D 0 14,-1.3 14,-3.1 135,-0.2 2,-0.3 -0.946 26.9-178.2-108.1 142.0 -5.7 7.0 52.0 78 81 A A E -Jk 90 214D 0 135,-2.0 137,-2.7 -2,-0.4 2,-0.5 -0.996 25.6-142.0-147.0 139.7 -6.1 3.4 50.8 79 82 A W E +Jk 89 215D 0 10,-3.2 9,-3.0 -2,-0.3 10,-1.6 -0.872 35.3 164.9 -99.4 124.8 -4.9 1.2 47.9 80 83 A V E -Jk 87 216D 6 135,-2.2 137,-1.1 -2,-0.5 7,-0.2 -0.923 48.3-127.1-138.2 159.5 -7.6 -1.2 46.6 81 84 A T S S- 0 0 5 5,-2.5 136,-0.6 1,-0.4 2,-0.3 0.943 99.3 -15.3 -69.7 -50.9 -8.4 -3.4 43.6 82 85 A R S > S- 0 0 77 4,-0.3 3,-2.3 134,-0.1 2,-0.5 -0.941 87.8 -86.2-141.0 162.3 -11.8 -1.7 43.3 83 86 A V B 3 S+p 255 0E 0 171,-3.0 173,-2.8 -2,-0.3 3,-0.1 -0.628 125.4 14.6 -71.4 121.6 -13.8 0.4 45.7 84 87 A G T 3 S+ 0 0 22 -2,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.458 117.2 97.9 85.8 2.8 -15.6 -2.1 47.8 85 88 A G S < S- 0 0 34 -3,-2.3 2,-0.3 1,-0.2 -1,-0.2 0.200 89.0 -34.0 -93.7-143.1 -13.3 -4.8 46.4 86 89 A H - 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