==== 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 4EIQ . 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 . 1025 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 717 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 15.6 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 . 8 0.8 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 . 1 0.1 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 . 93 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.7 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 7 1 1 4 2 2 1 3 0 0 0 2 0 0 0 0 0 2 0 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 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 . 6 7 4 6 0 2 3 1 1 0 1 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 2 0 0 1 3 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 2 A N 0 0 167 0, 0.0 158,-0.0 0, 0.0 159,-0.0 0.000 360.0 360.0 360.0 -72.2 -16.4 56.8 31.9 2 3 A A - 0 0 81 1,-0.1 158,-0.1 158,-0.0 0, 0.0 -0.750 360.0 -81.5-114.2 161.7 -12.9 56.8 33.2 3 4 A P - 0 0 57 0, 0.0 158,-0.2 0, 0.0 2,-0.2 -0.176 40.0-117.7 -61.9 151.7 -10.3 54.0 34.0 4 5 A I E -a 161 0A 54 156,-2.6 158,-4.0 2,-0.0 2,-0.5 -0.621 28.0-142.5 -85.6 148.3 -10.4 52.0 37.2 5 6 A E E +a 162 0A 150 -2,-0.2 2,-0.3 156,-0.2 158,-0.2 -0.937 35.0 138.2-125.2 117.9 -7.3 52.3 39.4 6 7 A T E -a 163 0A 19 156,-1.6 158,-0.7 -2,-0.5 159,-0.2 -0.975 48.0-130.1-147.2 156.9 -5.7 49.5 41.4 7 8 A D E S+ 0 0 48 23,-0.9 158,-2.6 -2,-0.3 2,-0.5 0.901 94.5 28.6 -76.4 -41.1 -2.2 48.4 42.1 8 9 A V E -ab 165 31A 0 22,-1.7 24,-1.4 156,-0.2 2,-0.7 -0.968 63.6-162.4-130.4 120.9 -2.6 44.7 41.2 9 10 A L E -ab 166 32A 1 156,-2.1 158,-2.2 -2,-0.5 2,-0.6 -0.875 14.3-154.5-101.2 113.2 -5.1 43.2 38.8 10 11 A I E -ab 167 33A 0 22,-2.7 24,-2.4 -2,-0.7 2,-0.7 -0.782 2.5-159.1 -94.5 123.6 -5.5 39.5 39.3 11 12 A L E +ab 168 34A 18 156,-3.4 158,-3.7 -2,-0.6 24,-0.2 -0.878 64.7 39.4-100.8 112.1 -6.6 37.5 36.3 12 13 A G - 0 0 10 22,-2.0 23,-0.2 -2,-0.7 158,-0.1 0.401 61.2-145.5 115.5 108.7 -8.2 34.2 37.4 13 14 A G + 0 0 20 4,-0.1 22,-0.1 20,-0.1 -1,-0.1 -0.052 59.5 116.5 -94.0 33.7 -10.5 33.6 40.3 14 15 A G S > S- 0 0 34 155,-0.3 4,-2.4 1,-0.0 5,-0.3 -0.251 88.9 -74.3 -88.4-176.9 -9.4 30.1 41.2 15 16 A P H > S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.898 132.8 47.5 -44.0 -50.4 -7.8 29.2 44.6 16 17 A V H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.923 110.3 49.7 -61.8 -46.3 -4.4 30.8 43.6 17 18 A G H > S+ 0 0 0 1,-0.2 4,-1.8 152,-0.2 -1,-0.2 0.914 113.9 47.7 -57.8 -41.4 -5.9 34.1 42.4 18 19 A M H X S+ 0 0 6 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.871 108.9 53.6 -66.0 -40.2 -7.9 34.2 45.6 19 20 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 5,-0.3 0.960 108.7 48.0 -60.4 -52.4 -4.8 33.4 47.7 20 21 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.907 113.2 51.2 -53.8 -41.3 -2.9 36.3 46.1 21 22 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.917 110.3 47.2 -62.9 -46.7 -6.0 38.4 46.8 22 23 A L H X S+ 0 0 5 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.924 115.6 44.3 -63.5 -44.5 -6.2 37.4 50.5 23 24 A D H < S+ 0 0 1 -4,-2.9 4,-0.5 2,-0.2 -2,-0.2 0.914 114.2 48.7 -67.7 -42.2 -2.5 38.0 51.1 24 25 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.3 3,-1.3 0.901 109.0 55.1 -62.7 -39.3 -2.4 41.3 49.2 25 26 A A H ><5S+ 0 0 24 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.916 107.2 49.7 -58.4 -43.3 -5.5 42.3 51.2 26 27 A H T 3<5S+ 0 0 100 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.528 109.0 51.7 -74.6 -5.5 -3.5 41.6 54.4 27 28 A R T < 5S- 0 0 19 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.261 117.0-115.8-109.6 6.4 -0.6 43.7 53.2 28 29 A Q T < 5 + 0 0 147 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.876 63.7 149.4 61.3 41.9 -3.1 46.5 52.5 29 30 A V < - 0 0 3 -5,-2.5 2,-0.2 -8,-0.1 -1,-0.2 -0.925 48.7-122.7-108.4 123.2 -2.5 46.5 48.7 30 31 A G + 0 0 30 -2,-0.5 -22,-1.7 -21,-0.0 -23,-0.9 -0.448 45.4 159.0 -66.8 127.5 -5.4 47.5 46.5 31 32 A H E -b 8 0A 6 -2,-0.2 2,-0.3 -24,-0.2 -22,-0.2 -0.802 28.7-151.8-139.0 179.4 -6.3 44.8 44.1 32 33 A L E -b 9 0A 22 -24,-1.4 -22,-2.7 -2,-0.2 2,-0.5 -0.922 10.2-148.5-160.1 129.2 -9.2 43.6 41.9 33 34 A V E -bc 10 130A 0 96,-2.8 98,-3.7 -2,-0.3 2,-0.5 -0.900 9.5-169.8-109.4 126.2 -10.0 40.0 40.8 34 35 A V E +bc 11 131A 3 -24,-2.4 -22,-2.0 -2,-0.5 2,-0.5 -0.959 6.6 176.9-117.6 121.1 -11.7 39.3 37.4 35 36 A D E - c 0 132A 52 96,-1.5 99,-2.1 -2,-0.5 98,-0.9 -0.986 31.6-139.6-123.6 118.8 -12.9 35.8 36.7 36 37 A A - 0 0 42 -2,-0.5 99,-0.1 97,-0.3 -1,-0.1 0.738 30.3-141.2 -47.8 -22.1 -14.7 35.2 33.4 37 38 A G 0 0 27 97,-0.1 -1,-0.2 96,-0.1 95,-0.1 0.238 360.0 360.0 77.4 -15.3 -17.0 33.0 35.6 38 39 A D 0 0 123 0, 0.0 -1,-0.1 0, 0.0 97,-0.0 0.799 360.0 360.0 -98.7 360.0 -17.1 30.7 32.6 39 ! 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 40 42 A I 0 0 141 0, 0.0 2,-1.5 0, 0.0 131,-0.0 0.000 360.0 360.0 360.0 73.8 -11.2 24.8 33.4 41 43 A T + 0 0 75 0, 0.0 231,-0.3 0, 0.0 0, 0.0 -0.580 360.0 132.0 -75.4 90.6 -11.0 21.1 32.5 42 44 A H - 0 0 43 -2,-1.5 231,-0.1 1,-0.2 153,-0.0 -0.905 62.3 -71.3-139.9 166.2 -8.6 19.9 35.2 43 45 A P - 0 0 36 0, 0.0 -1,-0.2 0, 0.0 152,-0.0 0.089 53.3-108.4 -46.5 173.0 -8.1 17.2 37.9 44 46 A K - 0 0 73 70,-0.0 71,-0.4 193,-0.0 -2,-0.0 0.829 40.1-169.0 -82.8 -42.7 -10.5 17.4 40.8 45 47 A V + 0 0 82 69,-0.1 70,-0.1 1,-0.1 68,-0.0 0.895 21.9 158.5 62.8 67.5 -8.2 18.5 43.7 46 48 A S + 0 0 3 68,-0.1 67,-2.6 66,-0.1 2,-0.3 0.721 45.7 89.9 -94.3 -18.7 -9.7 18.4 47.2 47 49 A T E -H 112 0B 41 65,-0.2 2,-0.5 63,-0.0 65,-0.2 -0.590 52.5-161.9 -87.1 141.0 -6.7 18.3 49.5 48 50 A I E -H 111 0B 1 63,-2.7 63,-1.8 -2,-0.3 5,-0.1 -0.946 25.4-127.6-120.3 106.3 -5.0 21.4 51.0 49 51 A G >> - 0 0 2 -2,-0.5 4,-2.1 252,-0.3 3,-0.6 0.012 22.9-107.1 -50.3 156.4 -1.5 20.7 52.2 50 52 A P H 3> S+ 0 0 15 0, 0.0 4,-0.8 0, 0.0 58,-0.2 0.746 120.1 55.1 -59.6 -22.7 -0.4 21.7 55.8 51 53 A R H 3> S+ 0 0 30 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.862 108.7 46.0 -78.7 -34.6 1.7 24.5 54.4 52 54 A S H <> S+ 0 0 0 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.805 109.4 56.1 -74.7 -30.9 -1.3 26.0 52.5 53 55 A M H X S+ 0 0 0 -4,-2.1 4,-0.8 55,-0.2 -1,-0.2 0.767 104.4 53.5 -71.5 -24.2 -3.3 25.6 55.6 54 56 A E H X S+ 0 0 7 -4,-0.8 4,-1.8 -5,-0.2 -2,-0.2 0.890 107.7 50.2 -75.7 -37.5 -0.7 27.6 57.5 55 57 A L H X S+ 0 0 3 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.898 110.5 49.1 -65.4 -39.8 -1.1 30.4 54.9 56 58 A F H <>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 6,-1.3 0.731 105.5 58.9 -70.9 -21.9 -4.9 30.4 55.3 57 59 A R H ><5S+ 0 0 58 -4,-0.8 3,-1.4 4,-0.2 -1,-0.2 0.922 104.1 50.8 -70.6 -42.6 -4.3 30.5 59.0 58 60 A R H 3<5S+ 0 0 52 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.913 112.7 47.1 -55.7 -45.9 -2.4 33.8 58.5 59 61 A W T 3<5S- 0 0 8 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.309 114.0-116.8 -82.3 5.2 -5.4 35.0 56.4 60 62 A G T < 5S+ 0 0 48 -3,-1.4 -3,-0.2 -5,-0.1 -2,-0.1 0.834 89.4 98.3 63.8 37.0 -8.0 34.0 58.9 61 63 A V >< + 0 0 7 -5,-2.8 4,-1.9 -8,-0.1 -4,-0.2 0.403 46.2 97.1-130.5 -2.4 -9.8 31.5 56.8 62 64 A A H > S+ 0 0 6 -6,-1.3 4,-1.7 1,-0.2 5,-0.2 0.908 86.8 49.6 -55.2 -46.0 -8.4 28.2 58.0 63 65 A K H > S+ 0 0 170 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 107.4 53.6 -60.6 -45.1 -11.3 27.6 60.4 64 66 A Q H 4 S+ 0 0 78 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.869 108.9 51.2 -59.0 -34.6 -13.9 28.2 57.7 65 67 A I H < S+ 0 0 0 -4,-1.9 3,-0.4 1,-0.2 5,-0.3 0.860 109.8 48.2 -71.3 -35.6 -12.1 25.6 55.5 66 68 A R H < S+ 0 0 81 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.790 118.4 39.7 -75.6 -26.5 -12.2 23.0 58.2 67 69 A T S < S+ 0 0 116 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.312 85.2 107.3-103.6 7.7 -15.8 23.5 59.0 68 70 A A S S- 0 0 29 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.772 104.3 -74.9 -57.1 -31.9 -16.8 24.0 55.3 69 71 A G S S+ 0 0 13 1,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.316 83.6 133.9 154.4 -15.2 -18.5 20.6 55.1 70 72 A W - 0 0 23 42,-0.3 -1,-0.3 -5,-0.3 2,-0.1 -0.472 64.7-113.3 -62.4 127.3 -16.0 17.7 55.0 71 73 A P > - 0 0 23 0, 0.0 3,-1.0 0, 0.0 26,-0.4 -0.422 17.0-145.4 -66.7 135.6 -17.4 15.2 57.5 72 74 A G T 3 S+ 0 0 17 1,-0.2 26,-2.1 -2,-0.1 27,-0.4 0.661 94.9 52.8 -76.6 -16.8 -15.2 14.8 60.5 73 75 A D T 3 S+ 0 0 108 23,-0.2 -1,-0.2 24,-0.1 22,-0.0 0.181 84.5 108.9-103.1 15.3 -15.9 11.1 61.0 74 76 A H S < S- 0 0 3 -3,-1.0 23,-0.6 1,-0.1 24,-0.1 -0.763 75.4-106.1 -94.3 137.3 -15.0 10.1 57.5 75 77 A P B -I 96 0C 22 0, 0.0 21,-0.2 0, 0.0 137,-0.1 -0.113 17.8-161.9 -57.3 155.5 -11.8 8.1 56.8 76 78 A L + 0 0 14 19,-1.5 20,-0.1 136,-0.1 136,-0.1 0.243 47.3 135.1-119.6 5.4 -8.7 9.7 55.3 77 79 A D - 0 0 23 18,-0.3 137,-1.6 134,-0.2 136,-1.3 -0.109 51.1-141.3 -56.4 152.2 -7.2 6.3 54.4 78 80 A A E -Jk 92 214D 1 14,-1.1 14,-1.8 135,-0.2 2,-0.4 -0.985 26.7-167.9-115.7 114.1 -5.7 5.7 51.0 79 81 A A E -Jk 91 215D 0 135,-2.8 137,-3.4 -2,-0.6 2,-0.6 -0.912 18.0-151.1-115.7 136.4 -6.6 2.2 49.9 80 82 A W E +Jk 90 216D 0 10,-3.0 9,-3.0 -2,-0.4 10,-1.4 -0.889 34.9 160.2-100.0 119.9 -5.3 0.0 47.1 81 83 A V E -Jk 88 217D 6 135,-2.6 137,-1.5 -2,-0.6 7,-0.2 -0.804 54.5-127.9-136.4 176.2 -7.9 -2.4 45.8 82 84 A T S S- 0 0 2 5,-1.7 2,-0.3 1,-0.5 6,-0.1 0.722 101.5 -13.4 -90.9 -29.6 -9.1 -4.7 42.9 83 85 A R S > S- 0 0 84 4,-0.4 3,-2.2 134,-0.1 2,-2.1 -0.947 81.1 -93.0-165.4 153.8 -12.4 -2.9 43.1 84 86 A V B 3 S+q 257 0E 0 172,-3.1 174,-1.3 1,-0.3 175,-0.4 -0.562 128.0 18.5 -77.7 86.1 -14.2 -0.7 45.5 85 87 A G T 3 S+ 0 0 37 -2,-2.1 -1,-0.3 172,-0.2 3,-0.1 0.234 114.1 92.1 132.0 -3.5 -15.9 -3.5 47.3 86 88 A G S < S- 0 0 35 -3,-2.2 2,-0.3 1,-0.2 -1,-0.1 0.160 93.2 -35.4 -92.9-146.0 -13.5 -6.2 46.0 87 89 A H - 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