==== 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 3K7Q . COMPND 2 MOLECULE: 6-HYDROXY-L-NICOTINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER NICOTINOVORANS; . AUTHOR G.P.BOURENKOV,G.S.KACHALOVA,H.D.BARTUNIK . 425 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 39 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 0 0 2 1 2 1 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 1 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 PARALLEL BRIDGES PER LADDER . 2 1 4 1 1 1 0 0 1 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 . 1 1 0 0 1 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 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 X M 0 0 105 0, 0.0 2,-0.2 0, 0.0 247,-0.2 0.000 360.0 360.0 360.0 161.0 -21.5 49.5 60.6 2 2 X Y E -a 248 0A 33 245,-2.6 247,-1.6 1,-0.1 248,-0.2 -0.683 360.0-131.1-113.8 158.6 -22.8 47.2 63.4 3 3 X D E S+ 0 0 53 23,-2.1 247,-1.4 1,-0.3 2,-0.3 0.874 98.9 6.6 -66.9 -40.0 -21.4 45.3 66.4 4 4 X A E -ab 250 27A 1 22,-1.9 24,-2.0 245,-0.2 2,-0.5 -0.996 59.4-155.3-148.0 136.0 -23.3 42.3 65.1 5 5 X I E -ab 251 28A 0 245,-2.4 247,-2.9 -2,-0.3 2,-0.6 -0.973 15.1-158.2-107.1 124.8 -25.4 41.3 62.2 6 6 X V E -ab 252 29A 0 22,-2.9 24,-3.1 -2,-0.5 2,-0.7 -0.913 4.8-155.8-101.9 122.4 -27.9 38.5 62.9 7 7 X V E +ab 253 30A 5 245,-3.2 247,-2.8 -2,-0.6 24,-0.2 -0.893 62.7 31.1-101.4 113.6 -29.1 36.6 59.8 8 8 X G - 0 0 6 22,-3.3 23,-0.2 -2,-0.7 22,-0.1 0.260 63.8-136.5 109.9 128.3 -32.5 35.0 60.2 9 9 X G + 0 0 1 26,-0.2 28,-3.0 4,-0.2 29,-0.2 -0.178 61.4 113.8-113.3 38.6 -35.5 36.0 62.3 10 10 X G B > S-i 37 0B 14 244,-0.5 4,-2.9 26,-0.2 5,-0.2 -0.262 92.4 -74.0 -84.0-172.1 -36.7 32.8 63.9 11 11 X F H > S+ 0 0 9 26,-0.6 4,-2.4 1,-0.2 5,-0.2 0.821 133.8 53.4 -57.2 -34.8 -36.4 32.4 67.7 12 12 X S H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.971 114.0 40.1 -63.4 -55.4 -32.7 31.9 67.5 13 13 X G H > S+ 0 0 0 241,-0.4 4,-3.1 1,-0.2 5,-0.2 0.902 115.7 52.7 -59.8 -44.5 -32.0 35.1 65.6 14 14 X L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.903 112.0 44.0 -59.9 -46.5 -34.6 37.0 67.6 15 15 X K H X S+ 0 0 16 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.928 115.3 49.1 -65.1 -45.2 -33.1 36.0 71.0 16 16 X A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.952 114.6 44.1 -57.6 -52.4 -29.5 36.7 69.7 17 17 X A H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.870 116.6 46.7 -61.6 -41.0 -30.5 40.1 68.3 18 18 X R H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.927 113.5 46.4 -68.2 -47.5 -32.5 41.1 71.5 19 19 X D H X S+ 0 0 31 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.867 113.6 48.4 -68.5 -37.5 -29.9 39.9 74.0 20 20 X L H <>S+ 0 0 0 -4,-2.2 5,-2.5 -5,-0.3 -1,-0.2 0.877 111.4 52.1 -66.6 -37.9 -27.0 41.6 72.2 21 21 X T H ><5S+ 0 0 29 -4,-1.6 3,-1.8 -5,-0.2 -2,-0.2 0.932 109.6 47.6 -61.4 -47.8 -29.2 44.8 72.0 22 22 X N H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.705 104.3 61.8 -70.1 -18.9 -29.9 44.8 75.7 23 23 X A T 3<5S- 0 0 52 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.380 126.5-102.6 -83.3 2.3 -26.2 44.2 76.3 24 24 X G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.466 75.9 140.1 93.2 4.3 -25.6 47.6 74.6 25 25 X K < - 0 0 73 -5,-2.5 2,-0.8 -6,-0.2 -1,-0.3 -0.386 57.9-118.1 -79.1 156.0 -24.4 46.3 71.2 26 26 X K - 0 0 115 -2,-0.1 -23,-2.1 2,-0.0 -22,-1.9 -0.874 45.4-179.6 -94.6 110.1 -25.4 47.8 67.9 27 27 X V E -b 4 0A 5 -2,-0.8 2,-0.4 -24,-0.2 192,-0.3 -0.878 23.6-163.9-119.9 141.6 -27.3 45.0 66.1 28 28 X L E -b 5 0A 0 -24,-2.0 -22,-2.9 -2,-0.4 2,-0.6 -0.996 11.2-153.4-120.8 128.3 -29.0 44.6 62.8 29 29 X L E -bc 6 220A 0 190,-2.5 192,-3.1 -2,-0.4 2,-0.6 -0.896 7.9-163.5-101.2 116.1 -31.4 41.7 62.2 30 30 X L E -bc 7 221A 1 -24,-3.1 -22,-3.3 -2,-0.6 2,-0.5 -0.899 7.0-174.3-101.7 115.7 -31.7 40.6 58.5 31 31 X E - 0 0 16 190,-3.2 193,-2.9 -2,-0.6 194,-0.1 -0.947 17.3-155.8-112.9 125.3 -34.7 38.4 57.8 32 32 X G S S+ 0 0 17 -2,-0.5 193,-0.2 191,-0.3 -1,-0.1 0.791 73.2 57.5 -67.7 -32.3 -35.1 36.9 54.3 33 33 X G S S- 0 0 11 2,-0.3 190,-2.9 191,-0.2 191,-0.3 -0.149 91.7-103.2 -95.0-172.2 -38.9 36.6 54.4 34 34 X E S S+ 0 0 153 188,-0.2 2,-0.3 189,-0.1 188,-0.1 0.337 100.1 41.2 -94.1 4.4 -42.0 38.8 54.9 35 35 X R S S- 0 0 66 6,-0.0 -2,-0.3 0, 0.0 2,-0.3 -0.958 75.2-122.8-146.2 160.3 -42.5 37.7 58.5 36 36 X L S S+ 0 0 33 -2,-0.3 -26,-0.2 1,-0.1 174,-0.1 -0.724 79.5 65.2 -99.6 157.8 -40.5 36.9 61.7 37 37 X G B > -i 10 0B 1 -28,-3.0 3,-1.9 -2,-0.3 -26,-0.6 -0.067 66.9-159.4 123.3 -32.2 -40.8 33.5 63.5 38 38 X G T 3 S+ 0 0 7 1,-0.3 329,-0.0 -3,-0.2 -28,-0.0 -0.391 79.4 5.1 61.9-122.7 -39.3 31.1 60.9 39 39 X R T 3 S+ 0 0 56 -2,-0.2 18,-3.2 17,-0.1 2,-0.7 0.420 120.1 80.4 -79.4 0.9 -40.4 27.6 61.6 40 40 X A < + 0 0 7 -3,-1.9 2,-0.4 16,-0.3 18,-0.1 -0.946 67.0 162.1 -99.4 106.2 -42.6 28.9 64.4 41 41 X Y + 0 0 52 -2,-0.7 14,-3.0 16,-0.2 15,-0.7 -0.834 17.5 176.3-139.6 91.6 -45.4 30.1 62.1 42 42 X S E +J 54 0C 17 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.822 22.3 141.0 -94.2 137.9 -48.9 30.8 63.5 43 43 X R E -J 53 0C 42 10,-2.2 10,-3.4 -2,-0.4 2,-0.2 -0.934 54.7 -59.6-158.8 177.5 -51.4 32.1 61.0 44 44 X E E -J 52 0C 116 -2,-0.3 8,-0.2 8,-0.2 2,-0.1 -0.471 61.7-103.4 -69.0 138.6 -55.1 31.9 59.9 45 45 X S - 0 0 8 6,-3.5 6,-0.2 3,-0.5 5,-0.2 -0.364 15.4-143.0 -57.8 137.4 -56.3 28.4 59.0 46 46 X R S S+ 0 0 145 1,-0.1 -1,-0.1 3,-0.1 310,-0.1 0.632 103.2 38.1 -71.3 -16.8 -56.7 27.8 55.2 47 47 X N S S+ 0 0 44 1,-0.2 -1,-0.1 4,-0.1 310,-0.0 0.733 116.8 44.7-106.7 -32.5 -59.7 25.7 56.0 48 48 X V S > S- 0 0 22 3,-0.2 3,-2.0 0, 0.0 -3,-0.5 -0.889 80.3-134.7-124.8 99.1 -61.5 27.5 58.9 49 49 X P T 3 S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.197 90.3 15.7 -47.5 132.5 -61.8 31.4 58.7 50 50 X G T 3 S+ 0 0 72 1,-0.2 2,-0.6 -5,-0.2 -6,-0.0 0.383 96.2 120.8 82.2 -3.7 -60.9 33.2 61.9 51 51 X L < - 0 0 36 -3,-2.0 -6,-3.5 -6,-0.2 2,-0.4 -0.848 54.0-147.2 -98.0 120.7 -59.1 30.2 63.3 52 52 X R E +J 44 0C 147 -2,-0.6 2,-0.3 -8,-0.2 -8,-0.2 -0.720 24.0 179.0 -85.4 131.6 -55.4 30.7 64.2 53 53 X V E -J 43 0C 2 -10,-3.4 -10,-2.2 -2,-0.4 2,-0.6 -0.889 32.3-116.8-129.7 162.1 -53.3 27.6 63.7 54 54 X E E +J 42 0C 10 -2,-0.3 -12,-0.2 -12,-0.2 4,-0.1 -0.899 26.7 176.2 -99.2 116.9 -49.6 26.6 64.1 55 55 X I S S+ 0 0 3 -14,-3.0 304,-0.5 -2,-0.6 232,-0.2 0.645 76.6 18.2 -95.0 -20.0 -48.2 25.5 60.7 56 56 X G S S+ 0 0 12 -15,-0.7 -16,-0.3 1,-0.3 -17,-0.1 0.004 124.0 4.4-113.4-130.7 -44.7 25.0 62.1 57 57 X G + 0 0 31 -18,-3.2 -1,-0.3 1,-0.1 149,-0.2 -0.318 61.0 148.5 -64.7 134.5 -43.7 24.5 65.7 58 58 X A + 0 0 5 1,-0.1 144,-0.6 -4,-0.1 2,-0.3 0.626 41.1 79.1-134.0 -39.7 -46.5 24.3 68.3 59 59 X Y E +K 201 0D 38 142,-0.1 2,-0.3 140,-0.0 142,-0.2 -0.612 45.9 170.0 -98.8 144.6 -45.7 22.2 71.3 60 60 X L E -K 200 0D 2 140,-2.5 140,-2.8 -2,-0.3 139,-0.8 -0.933 22.6-154.2-142.5 161.9 -43.6 22.9 74.4 61 61 X H > - 0 0 16 -2,-0.3 4,-2.3 138,-0.2 3,-0.3 -0.894 10.9-153.1-141.9 112.2 -42.8 21.5 77.8 62 62 X R T 4 S+ 0 0 86 -2,-0.3 7,-0.3 1,-0.2 8,-0.1 0.794 95.7 48.6 -55.0 -36.0 -41.7 23.9 80.5 63 63 X K T 4 S+ 0 0 167 1,-0.2 -1,-0.2 2,-0.1 134,-0.0 0.869 118.3 39.3 -75.4 -37.6 -39.6 21.3 82.4 64 64 X H T 4 S+ 0 0 27 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.711 122.7 46.0 -78.5 -21.3 -37.8 20.1 79.3 65 65 X H X + 0 0 7 -4,-2.3 4,-2.3 1,-0.1 -1,-0.2 -0.650 61.3 161.2-127.6 75.8 -37.5 23.6 78.0 66 66 X P H > S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.785 77.3 51.3 -68.9 -33.8 -36.3 26.1 80.7 67 67 X R H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.930 113.0 46.6 -68.0 -43.9 -35.2 28.9 78.4 68 68 X L H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.913 109.9 54.3 -61.6 -42.3 -38.5 28.8 76.6 69 69 X A H X S+ 0 0 10 -4,-2.3 4,-2.1 -7,-0.3 -1,-0.2 0.889 107.4 50.8 -56.0 -42.3 -40.2 28.8 80.0 70 70 X A H X S+ 0 0 52 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.876 108.1 52.0 -64.9 -39.8 -38.3 31.9 81.0 71 71 X E H X S+ 0 0 8 -4,-1.9 4,-2.1 2,-0.2 6,-0.2 0.917 110.1 48.3 -62.5 -45.9 -39.4 33.7 77.8 72 72 X L H X>S+ 0 0 3 -4,-2.3 5,-2.3 1,-0.2 4,-0.7 0.910 115.0 45.1 -60.4 -44.0 -43.1 32.9 78.4 73 73 X D H <5S+ 0 0 100 -4,-2.1 3,-0.4 3,-0.2 -2,-0.2 0.897 110.1 56.5 -66.7 -40.7 -42.8 34.1 82.0 74 74 X R H <5S+ 0 0 115 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.907 119.4 28.6 -57.1 -47.9 -40.9 37.2 80.9 75 75 X Y H <5S- 0 0 55 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.392 107.0-118.2 -98.4 3.3 -43.6 38.5 78.5 76 76 X G T <5 + 0 0 62 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.896 47.7 177.1 60.7 42.1 -46.5 36.9 80.3 77 77 X I < - 0 0 15 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.1 -0.688 25.6-128.1 -83.7 119.9 -47.4 34.8 77.3 78 78 X P - 0 0 55 0, 0.0 125,-2.2 0, 0.0 126,-0.5 -0.421 25.8-171.0 -71.0 138.1 -50.3 32.5 78.1 79 79 X T E -L 202 0D 39 123,-0.3 2,-0.3 124,-0.1 123,-0.2 -0.882 3.5-160.5-120.2 159.7 -50.0 28.7 77.5 80 80 X A E -L 201 0D 41 121,-2.1 121,-2.4 -2,-0.3 3,-0.1 -0.954 33.0 -90.0-134.7 154.3 -52.6 26.0 77.5 81 81 X A E -L 200 0D 84 -2,-0.3 119,-0.3 119,-0.2 3,-0.1 -0.357 49.3-111.1 -56.8 139.2 -52.5 22.2 77.9 82 82 X A - 0 0 18 117,-2.3 -1,-0.1 1,-0.2 231,-0.1 -0.365 57.5 -63.8 -67.0 156.9 -52.3 20.5 74.5 83 83 X S - 0 0 47 230,-0.3 2,-0.2 229,-0.1 -1,-0.2 -0.149 59.4-120.8 -46.3 129.1 -55.4 18.6 73.4 84 84 X E - 0 0 149 -3,-0.1 2,-0.6 1,-0.0 -1,-0.1 -0.502 16.3-132.2 -74.3 140.9 -56.0 15.7 75.8 85 85 X F + 0 0 57 -2,-0.2 214,-0.2 1,-0.1 15,-0.1 -0.877 46.0 143.7 -96.9 119.3 -56.1 12.2 74.4 86 86 X T + 0 0 84 212,-2.4 2,-0.5 -2,-0.6 213,-0.2 0.488 59.1 59.1-128.1 -17.4 -59.2 10.2 75.6 87 87 X S E -m 299 0E 22 211,-2.8 213,-2.6 209,-0.1 2,-0.5 -0.973 68.0-159.0-124.1 118.1 -60.2 8.1 72.6 88 88 X F E +m 300 0E 35 -2,-0.5 213,-0.2 10,-0.3 211,-0.1 -0.859 18.8 170.0-109.7 124.5 -57.6 5.7 71.2 89 89 X R + 0 0 58 211,-2.5 -1,-0.1 -2,-0.5 212,-0.1 -0.445 22.3 171.5-129.8 54.3 -57.9 4.4 67.7 90 90 X H - 0 0 21 211,-0.2 2,-0.3 210,-0.1 213,-0.2 -0.205 33.6-150.3 -72.2 156.3 -54.6 2.6 67.2 91 91 X R B +r 303 0F 114 211,-2.3 213,-1.5 1,-0.1 214,-0.1 -0.673 58.9 117.6-121.1 73.2 -53.6 0.4 64.2 92 92 X L S S- 0 0 12 1,-0.4 3,-0.2 -2,-0.3 66,-0.1 0.179 80.2 -86.9-125.9 11.1 -51.1 -1.9 66.1 93 93 X G > - 0 0 47 1,-0.2 3,-1.3 -3,-0.1 -1,-0.4 -0.226 54.0 -63.2 99.7 170.1 -52.8 -5.2 65.7 94 94 X P T 3 S+ 0 0 138 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.617 126.3 57.8 -70.6 -14.5 -55.5 -7.1 67.6 95 95 X T T 3 S+ 0 0 75 -3,-0.2 11,-0.1 2,-0.1 -2,-0.1 0.548 80.7 107.0 -93.2 -9.4 -53.5 -7.5 70.8 96 96 X A < - 0 0 20 -3,-1.3 2,-0.4 7,-0.1 7,-0.2 -0.345 67.1-131.7 -66.2 148.4 -53.0 -3.7 71.4 97 97 X V - 0 0 48 5,-2.1 2,-2.2 2,-0.1 -7,-0.1 -0.831 20.7-116.2-101.1 142.5 -54.9 -2.1 74.1 98 98 X D S S+ 0 0 103 -2,-0.4 -10,-0.3 -9,-0.1 2,-0.3 -0.489 78.2 104.3 -82.2 74.0 -56.8 1.2 73.4 99 99 X Q S S- 0 0 113 -2,-2.2 -9,-0.1 -12,-0.1 -2,-0.1 -0.869 89.3 -97.9-136.5 170.5 -54.8 3.4 75.7 100 100 X A S S+ 0 0 53 1,-0.3 -14,-0.0 -2,-0.3 -1,-0.0 0.856 127.6 43.9 -58.5 -37.6 -52.1 6.0 75.3 101 101 X F S S+ 0 0 99 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 -0.867 78.8 180.0-108.5 93.3 -49.6 3.2 76.2 102 102 X P + 0 0 0 0, 0.0 -5,-2.1 0, 0.0 -1,-0.1 0.265 32.5 127.0 -86.1 11.8 -51.1 0.4 74.1 103 103 X I - 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