==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-OCT-09 3K7T . COMPND 2 MOLECULE: 6-HYDROXY-L-NICOTINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER NICOTINOVORANS; . AUTHOR G.P.BOURENKOV,G.S.KACHALOVA,H.D.BARTUNIK . 850 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 75 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 3 0 0 2 4 3 3 0 0 2 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 5 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 0 0 PARALLEL BRIDGES PER LADDER . 5 0 7 3 0 4 0 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 . 2 2 0 0 2 0 1 1 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 2,-0.2 0, 0.0 247,-0.2 0.000 360.0 360.0 360.0 109.3 41.7 89.4 -32.6 2 2 A Y E -a 248 0A 29 245,-1.9 247,-1.5 1,-0.1 25,-0.2 -0.702 360.0-136.1-105.2 159.1 39.2 88.6 -29.8 3 3 A D E S+ 0 0 51 23,-2.5 247,-1.8 1,-0.3 2,-0.3 0.842 92.4 5.2 -77.7 -37.5 35.5 89.0 -29.8 4 4 A A E -ab 250 27A 0 22,-1.7 24,-1.9 245,-0.2 2,-0.5 -0.978 60.6-154.3-150.7 134.5 35.5 90.6 -26.3 5 5 A I E -ab 251 28A 0 245,-1.8 247,-2.9 -2,-0.3 2,-0.7 -0.955 13.9-155.3-109.3 121.4 38.2 91.7 -23.9 6 6 A V E -ab 252 29A 0 22,-2.9 24,-2.7 -2,-0.5 2,-0.7 -0.865 4.9-153.6-100.5 112.4 37.3 91.7 -20.2 7 7 A V E +ab 253 30A 6 245,-3.7 247,-2.8 -2,-0.7 24,-0.2 -0.772 65.3 26.8 -88.0 115.7 39.3 94.2 -18.1 8 8 A G - 0 0 8 22,-2.9 23,-0.2 -2,-0.7 22,-0.2 0.158 66.7-130.4 104.9 137.9 39.4 93.0 -14.5 9 9 A G + 0 0 0 26,-0.2 28,-2.7 4,-0.1 29,-0.1 -0.113 63.9 115.6-114.4 34.7 39.1 89.5 -12.9 10 10 A G B > S-i 37 0B 14 244,-0.4 4,-3.4 26,-0.2 5,-0.3 -0.146 89.5 -73.6 -85.1-170.8 36.5 90.1 -10.2 11 11 A F H > S+ 0 0 12 26,-0.8 4,-1.1 1,-0.2 5,-0.1 0.786 137.0 48.3 -58.8 -31.2 33.1 88.5 -10.0 12 12 A S H > S+ 0 0 7 242,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 116.5 43.3 -70.9 -42.4 31.9 90.8 -12.8 13 13 A G H > S+ 0 0 0 241,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.826 112.5 52.0 -72.5 -35.3 34.9 89.9 -14.9 14 14 A L H X S+ 0 0 0 -4,-3.4 4,-0.8 2,-0.2 -1,-0.2 0.809 115.2 41.6 -72.2 -32.5 34.8 86.2 -14.1 15 15 A K H X S+ 0 0 9 -4,-1.1 4,-2.7 -5,-0.3 5,-0.2 0.889 114.1 50.2 -80.7 -43.6 31.1 85.9 -15.1 16 16 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.904 113.3 45.1 -62.5 -45.1 31.3 88.1 -18.2 17 17 A A H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.829 116.4 47.4 -68.1 -34.2 34.3 86.3 -19.7 18 18 A R H X S+ 0 0 2 -4,-0.8 4,-1.6 -5,-0.2 -2,-0.2 0.925 111.0 48.4 -72.6 -48.5 32.8 82.9 -18.9 19 19 A D H X S+ 0 0 38 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.824 112.1 49.3 -65.0 -35.1 29.3 83.5 -20.3 20 20 A L H X>S+ 0 0 0 -4,-1.5 5,-2.0 -5,-0.2 4,-0.8 0.831 107.5 55.2 -72.9 -34.0 30.6 85.0 -23.6 21 21 A T H ><5S+ 0 0 36 -4,-1.1 3,-0.6 1,-0.2 -2,-0.2 0.869 102.8 56.4 -65.4 -38.8 33.0 82.0 -24.1 22 22 A N H 3<5S+ 0 0 104 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.751 102.4 55.5 -65.8 -26.7 30.1 79.5 -23.8 23 23 A A H 3<5S- 0 0 60 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.746 128.2 -96.5 -76.0 -25.7 28.2 81.3 -26.7 24 24 A G T <<5S+ 0 0 64 -4,-0.8 2,-0.2 -3,-0.6 -3,-0.2 0.422 77.2 140.1 121.8 6.5 31.3 80.8 -28.9 25 25 A K < - 0 0 73 -5,-2.0 2,-0.8 1,-0.1 -1,-0.3 -0.559 56.6-119.9 -83.2 142.8 33.0 84.1 -28.6 26 26 A K - 0 0 105 -2,-0.2 -23,-2.5 -25,-0.1 -22,-1.7 -0.744 42.0-171.9 -82.5 110.2 36.8 84.4 -28.3 27 27 A V E -b 4 0A 5 -2,-0.8 2,-0.4 -24,-0.2 192,-0.3 -0.864 18.4-166.0-116.0 139.2 37.4 86.1 -24.9 28 28 A L E -b 5 0A 0 -24,-1.9 -22,-2.9 -2,-0.4 2,-0.5 -0.988 8.7-155.7-121.7 128.2 40.5 87.5 -23.2 29 29 A L E -bc 6 220A 0 190,-2.8 192,-2.6 -2,-0.4 2,-0.6 -0.891 5.6-165.1-104.0 130.9 40.6 88.3 -19.5 30 30 A L E -bc 7 221A 2 -24,-2.7 -22,-2.9 -2,-0.5 2,-0.5 -0.918 6.9-178.1-121.3 105.4 43.1 90.9 -18.2 31 31 A E - 0 0 19 190,-1.7 193,-3.3 -2,-0.6 192,-0.2 -0.896 17.1-159.0-104.7 127.7 43.7 91.1 -14.5 32 32 A G S S+ 0 0 16 -2,-0.5 193,-0.3 191,-0.3 -1,-0.1 0.623 72.2 65.4 -78.4 -15.6 46.2 93.7 -13.1 33 33 A G S S- 0 0 9 2,-0.3 190,-2.6 191,-0.2 191,-0.3 -0.270 91.6-107.3 -98.9-174.2 46.8 91.8 -9.9 34 34 A E S S+ 0 0 155 188,-0.2 2,-0.3 189,-0.1 188,-0.1 0.433 99.3 40.4 -92.1 -2.3 48.4 88.5 -8.9 35 35 A R S S- 0 0 71 3,-0.0 -2,-0.3 0, 0.0 2,-0.3 -0.946 74.7-122.7-145.0 160.1 45.0 87.0 -8.0 36 36 A L S S+ 0 0 32 -2,-0.3 -26,-0.2 1,-0.1 174,-0.1 -0.731 79.7 56.7-104.7 156.2 41.4 86.8 -9.3 37 37 A G B > S-i 10 0B 3 -28,-2.7 3,-1.0 -2,-0.3 -26,-0.8 -0.237 71.9-155.3 119.8 -43.3 38.2 87.7 -7.4 38 38 A G T 3 S+ 0 0 8 1,-0.3 18,-0.1 -28,-0.2 329,-0.0 -0.619 77.4 10.3 79.6-118.2 39.0 91.3 -6.5 39 39 A R T 3 S+ 0 0 58 -2,-0.5 2,-1.9 1,-0.2 -1,-0.3 0.641 112.5 84.2 -72.5 -16.0 37.2 92.6 -3.4 40 40 A A < + 0 0 12 -3,-1.0 2,-0.7 16,-0.2 -1,-0.2 -0.521 69.6 171.1 -80.7 67.8 36.1 89.0 -2.7 41 41 A Y + 0 0 49 -2,-1.9 14,-2.4 -4,-0.1 15,-1.5 -0.756 12.2 172.9 -94.0 111.7 39.4 88.5 -1.0 42 42 A S E +J 54 0C 24 -2,-0.7 2,-0.2 12,-0.2 12,-0.2 -0.927 17.1 142.7-123.5 105.4 39.8 85.2 0.9 43 43 A R E -J 53 0C 48 10,-1.2 10,-2.4 -2,-0.5 2,-0.2 -0.774 54.7 -76.9-130.8 173.9 43.2 84.4 2.3 44 44 A E E -J 52 0C 123 -2,-0.2 8,-0.2 8,-0.2 2,-0.1 -0.510 61.6 -95.0 -71.4 144.5 44.8 82.8 5.4 45 45 A S - 0 0 7 6,-2.7 6,-0.2 3,-0.4 5,-0.1 -0.347 17.9-147.9 -66.8 137.7 44.8 85.0 8.5 46 46 A R S S+ 0 0 165 1,-0.1 -1,-0.1 -2,-0.1 311,-0.1 0.761 102.1 43.9 -71.9 -27.4 47.9 87.2 9.2 47 47 A N S S+ 0 0 41 1,-0.2 -1,-0.1 4,-0.1 310,-0.0 0.911 118.3 37.2 -81.6 -48.9 47.1 86.7 12.9 48 48 A V S > S- 0 0 19 3,-0.2 3,-1.0 0, 0.0 -3,-0.4 -0.927 77.7-129.8-117.0 126.3 46.3 83.0 13.1 49 49 A P T 3 S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.531 92.8 15.4 -70.6 135.9 48.0 80.1 11.1 50 50 A G T 3 S+ 0 0 62 -2,-0.2 2,-0.6 1,-0.2 -6,-0.0 0.693 93.3 126.1 74.9 21.7 45.6 77.8 9.3 51 51 A L < - 0 0 31 -3,-1.0 -6,-2.7 -6,-0.2 2,-0.6 -0.929 50.8-149.6-117.3 108.5 42.6 80.2 9.7 52 52 A R E -J 44 0C 127 -2,-0.6 2,-0.3 -8,-0.2 -8,-0.2 -0.659 25.2-178.1 -78.0 115.8 40.8 81.1 6.4 53 53 A V E -J 43 0C 0 -10,-2.4 -10,-1.2 -2,-0.6 2,-0.9 -0.877 28.5-123.0-120.1 149.0 39.3 84.6 6.8 54 54 A E E +J 42 0C 10 -2,-0.3 -12,-0.2 -12,-0.2 4,-0.1 -0.836 25.5 174.4 -95.2 110.4 37.2 86.8 4.6 55 55 A I S S+ 0 0 7 -14,-2.4 -1,-0.2 -2,-0.9 304,-0.2 0.876 81.8 28.9 -77.2 -44.0 38.9 90.0 4.0 56 56 A G S S- 0 0 20 -15,-1.5 2,-0.3 1,-0.1 -16,-0.2 0.800 117.2 -65.0 -76.8-105.9 36.3 91.2 1.5 57 57 A G + 0 0 31 -18,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.995 37.1 173.9-156.3 149.8 32.8 89.7 2.2 58 58 A A + 0 0 8 -2,-0.3 -1,-0.1 -4,-0.1 145,-0.1 0.622 46.5 114.5-121.6 -30.6 30.9 86.4 2.2 59 59 A Y + 0 0 64 142,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.029 37.8 161.7 -63.0 153.1 27.5 87.1 3.6 60 60 A L B -K 200 0D 2 140,-2.6 140,-2.8 347,-0.1 139,-0.8 -0.968 36.4-128.0-162.6 163.9 24.5 86.7 1.4 61 61 A H > - 0 0 21 -2,-0.3 4,-2.6 138,-0.2 8,-0.2 -0.984 14.1-152.2-131.5 121.1 20.7 86.3 1.2 62 62 A R T 4 S+ 0 0 78 -2,-0.4 7,-0.2 1,-0.2 -1,-0.1 0.873 96.9 36.3 -62.4 -45.0 19.3 83.3 -0.9 63 63 A K T 4 S+ 0 0 172 1,-0.2 -1,-0.2 6,-0.0 -2,-0.0 0.756 118.3 52.7 -80.3 -26.5 15.9 84.9 -1.9 64 64 A H T 4 S+ 0 0 23 1,-0.2 -2,-0.2 133,-0.1 -1,-0.2 0.869 116.4 39.1 -69.9 -40.4 17.5 88.4 -2.2 65 65 A H X + 0 0 4 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 -0.816 60.3 163.2-120.9 88.2 20.2 87.1 -4.6 66 66 A P H > S+ 0 0 70 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.837 79.3 52.4 -73.3 -34.2 18.9 84.4 -7.1 67 67 A R H > S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.876 110.8 47.1 -69.2 -40.5 21.9 84.8 -9.4 68 68 A L H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.882 113.6 48.6 -66.5 -39.9 24.4 84.2 -6.6 69 69 A A H X S+ 0 0 15 -4,-1.6 4,-1.7 -7,-0.2 -2,-0.2 0.780 107.5 56.4 -68.7 -29.5 22.4 81.3 -5.4 70 70 A A H X S+ 0 0 53 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.823 107.7 47.6 -70.1 -33.8 22.3 79.9 -9.0 71 71 A E H X S+ 0 0 12 -4,-1.4 4,-1.9 2,-0.2 6,-0.3 0.807 111.7 50.3 -75.8 -32.6 26.2 80.0 -9.0 72 72 A L H X>S+ 0 0 3 -4,-1.5 5,-1.5 2,-0.2 4,-0.8 0.840 113.0 46.1 -70.5 -36.4 26.3 78.2 -5.6 73 73 A D H <5S+ 0 0 123 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.773 112.3 52.7 -76.4 -29.0 23.9 75.6 -6.9 74 74 A R H <5S+ 0 0 110 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.963 119.2 29.7 -71.3 -55.9 25.8 75.2 -10.2 75 75 A Y H <5S- 0 0 56 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.597 110.5-116.1 -82.9 -12.7 29.3 74.6 -8.8 76 76 A G T <5 + 0 0 56 -4,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.816 52.0 165.9 81.0 33.8 28.0 72.9 -5.6 77 77 A I < - 0 0 18 -5,-1.5 -1,-0.2 -6,-0.3 2,-0.1 -0.744 30.2-135.5 -84.5 117.0 29.3 75.5 -3.1 78 78 A P - 0 0 74 0, 0.0 125,-1.3 0, 0.0 126,-0.5 -0.428 15.8-159.1 -78.4 146.7 27.6 75.0 0.2 79 79 A T E -L 202 0D 30 123,-0.2 2,-0.3 124,-0.1 123,-0.2 -0.990 1.8-161.0-127.4 133.5 26.1 77.8 2.4 80 80 A A E -L 201 0D 48 121,-1.2 121,-3.1 -2,-0.4 3,-0.1 -0.795 35.1 -89.5-109.2 154.2 25.4 77.8 6.1 81 81 A A E -L 200 0D 79 -2,-0.3 119,-0.3 119,-0.2 3,-0.1 -0.361 52.4-101.6 -62.7 136.7 23.1 80.1 8.1 82 82 A A - 0 0 22 117,-3.0 -1,-0.1 -22,-0.2 118,-0.0 -0.218 42.1 -95.9 -62.7 148.2 24.9 83.2 9.4 83 83 A S - 0 0 66 230,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.283 38.0-137.6 -65.8 142.7 25.9 83.4 13.1 84 84 A E - 0 0 176 -3,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.616 12.6-115.8-101.3 167.4 23.7 85.1 15.6 85 85 A F + 0 0 55 -2,-0.2 214,-0.2 1,-0.1 213,-0.1 -0.856 34.7 160.4-106.4 134.4 24.4 87.4 18.5 86 86 A T + 0 0 108 212,-1.7 2,-0.3 -2,-0.4 213,-0.2 0.711 62.0 61.9-116.6 -43.8 23.8 86.6 22.1 87 87 A S E -m 299 0E 18 211,-2.2 213,-1.3 210,-0.3 2,-0.4 -0.674 63.5-167.9 -90.1 144.0 26.0 89.0 24.1 88 88 A F E +m 300 0E 34 -2,-0.3 213,-0.2 211,-0.2 2,-0.1 -0.985 19.2 166.4-139.6 125.3 25.5 92.8 23.8 89 89 A R + 0 0 78 211,-1.9 2,-0.1 -2,-0.4 9,-0.1 -0.565 20.3 169.4-136.8 69.6 27.8 95.6 25.1 90 90 A H - 0 0 11 211,-0.2 213,-0.2 -2,-0.1 211,-0.1 -0.329 30.2-153.5 -79.3 162.4 26.6 98.9 23.5 91 91 A R + 0 0 105 211,-0.4 2,-0.4 -2,-0.1 213,-0.1 -0.294 49.3 130.6-127.8 47.0 27.8 102.4 24.4 92 92 A L S S- 0 0 7 1,-0.3 3,-0.2 210,-0.2 67,-0.1 -0.252 78.7 -73.3 -97.5 45.0 24.6 104.3 23.3 93 93 A G - 0 0 50 -2,-0.4 3,-0.4 1,-0.1 -1,-0.3 -0.235 58.0 -71.1 91.4 177.2 24.2 106.3 26.5 94 94 A P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.690 125.3 56.1 -82.8 -20.7 23.0 105.4 30.0 95 95 A T S S+ 0 0 83 -3,-0.2 2,-0.3 2,-0.1 -2,-0.1 0.439 84.5 106.4 -92.0 -1.1 19.3 104.9 29.1 96 96 A A - 0 0 20 -3,-0.4 2,-0.3 7,-0.1 7,-0.2 -0.608 65.9-134.3 -83.1 136.4 20.0 102.3 26.4 97 97 A V - 0 0 71 5,-1.2 2,-1.4 -2,-0.3 -2,-0.1 -0.694 19.1-122.3 -87.9 140.8 19.3 98.6 27.1 98 98 A D S S+ 0 0 80 -2,-0.3 2,-0.2 -10,-0.1 -10,-0.2 -0.632 71.3 90.2 -89.8 83.3 22.0 96.1 26.1 99 99 A Q S S- 0 0 86 -2,-1.4 -13,-0.1 -12,-0.1 -12,-0.1 -0.858 94.1 -64.5-152.6-172.4 20.2 93.7 23.6 100 100 A A S S+ 0 0 56 1,-0.3 -14,-0.0 -2,-0.2 -13,-0.0 0.865 131.1 33.2 -49.5 -45.8 19.4 93.2 19.9 101 101 A F S S- 0 0 86 1,-0.1 -1,-0.3 2,-0.1 -4,-0.1 -0.878 73.2-172.6-116.5 96.8 17.4 96.4 19.8 102 102 A P + 0 0 0 0, 0.0 -5,-1.2 0, 0.0 -1,-0.1 0.409 45.6 119.3 -73.1 1.7 18.9 98.9 22.2 103 103 A I - 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