==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JUN-10 3NK2 . COMPND 2 MOLECULE: 6-HYDROXY-L-NICOTINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER NICOTINOVORANS; . AUTHOR 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) . 17188.0 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 . 56 13.2 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 . 4 0.9 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 . 37 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 25.6 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 1 0 1 1 2 1 1 0 0 2 0 1 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 3 2 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 0 100 0, 0.0 2,-0.3 0, 0.0 247,-0.2 0.000 360.0 360.0 360.0 135.0 61.2 49.5 21.5 2 2 X Y E -a 248 0A 29 245,-2.2 247,-1.7 1,-0.1 248,-0.2 -0.758 360.0-125.9-121.1 160.3 64.0 47.4 22.8 3 3 X D E S+ 0 0 60 23,-2.3 247,-1.5 1,-0.3 2,-0.3 0.880 101.1 3.7 -66.8 -38.2 67.0 45.6 21.4 4 4 X A E -ab 250 27A 1 22,-1.7 24,-2.3 245,-0.2 2,-0.5 -0.995 58.2-152.4-151.2 141.4 65.6 42.6 23.4 5 5 X I E -ab 251 28A 0 245,-2.3 247,-3.0 -2,-0.3 2,-0.6 -0.970 16.4-156.4-108.5 123.2 62.7 41.6 25.5 6 6 X V E -ab 252 29A 0 22,-2.8 24,-3.3 -2,-0.5 2,-0.8 -0.904 4.6-156.9-101.5 119.8 63.4 38.8 28.0 7 7 X V E +ab 253 30A 6 245,-3.6 247,-3.3 -2,-0.6 24,-0.2 -0.858 62.5 32.2-101.4 106.1 60.3 36.9 29.1 8 8 X G - 0 0 6 22,-2.9 23,-0.2 -2,-0.8 22,-0.1 0.151 61.5-139.3 117.1 127.6 60.8 35.3 32.5 9 9 X G + 0 0 0 26,-0.2 28,-2.9 4,-0.2 29,-0.2 -0.122 61.5 112.0-111.7 34.3 62.8 36.2 35.6 10 10 X G B > S-i 37 0B 17 244,-0.5 4,-2.2 26,-0.2 28,-0.2 -0.090 93.9 -73.4 -77.5-164.3 64.3 33.0 36.8 11 11 X F H > S+ 0 0 10 26,-0.5 4,-2.3 1,-0.2 5,-0.2 0.848 131.9 56.0 -65.6 -35.0 68.1 32.5 36.5 12 12 X S H > S+ 0 0 5 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.964 112.9 38.5 -59.5 -57.1 68.0 32.1 32.8 13 13 X G H > S+ 0 0 0 241,-0.4 4,-3.2 1,-0.2 5,-0.3 0.878 114.2 56.1 -65.1 -39.2 66.3 35.4 32.0 14 14 X L H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.903 110.9 42.7 -62.1 -44.6 68.2 37.2 34.7 15 15 X K H X S+ 0 0 16 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.936 116.1 49.2 -66.3 -46.4 71.5 36.3 33.2 16 16 X A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.958 112.9 46.0 -56.8 -54.2 70.4 37.0 29.7 17 17 X A H X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.814 116.5 46.2 -60.2 -35.4 68.9 40.3 30.5 18 18 X R H X S+ 0 0 1 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.897 113.8 45.6 -75.3 -42.9 72.0 41.3 32.5 19 19 X D H X S+ 0 0 35 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.935 113.5 49.2 -71.4 -44.4 74.6 40.2 30.0 20 20 X L H <>S+ 0 0 0 -4,-2.8 5,-2.3 -5,-0.3 3,-0.2 0.908 112.3 50.8 -56.0 -43.3 72.8 41.8 27.1 21 21 X T H ><5S+ 0 0 27 -4,-1.4 3,-2.8 -5,-0.3 -2,-0.2 0.972 109.0 48.6 -57.5 -54.8 72.6 44.9 29.2 22 22 X N H 3<5S+ 0 0 95 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.698 103.6 62.4 -64.1 -17.6 76.3 45.0 30.0 23 23 X A T 3<5S- 0 0 49 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.456 126.9-100.9 -83.5 -1.4 77.0 44.4 26.3 24 24 X G T < 5S+ 0 0 65 -3,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.502 76.5 139.2 97.0 7.6 75.4 47.8 25.7 25 25 X K < - 0 0 85 -5,-2.3 2,-0.7 -6,-0.2 -1,-0.3 -0.389 58.1-116.7 -82.2 160.6 71.9 46.5 24.5 26 26 X K - 0 0 109 -2,-0.1 -23,-2.3 2,-0.0 -22,-1.7 -0.883 45.4-176.3-100.4 110.4 68.6 48.1 25.5 27 27 X V E -b 4 0A 5 -2,-0.7 2,-0.5 -24,-0.2 192,-0.3 -0.884 24.0-165.0-121.9 136.7 66.8 45.4 27.4 28 28 X L E -b 5 0A 0 -24,-2.3 -22,-2.8 -2,-0.4 2,-0.6 -0.976 11.6-155.1-116.8 124.6 63.4 44.9 29.0 29 29 X L E -bc 6 220A 0 190,-2.1 192,-2.8 -2,-0.5 2,-0.6 -0.880 7.6-164.6-100.5 120.0 62.8 42.1 31.5 30 30 X L E -bc 7 221A 1 -24,-3.3 -22,-2.9 -2,-0.6 2,-0.5 -0.917 7.0-177.2-108.1 117.2 59.2 40.9 31.8 31 31 X E - 0 0 17 190,-2.6 193,-2.7 -2,-0.6 194,-0.1 -0.953 17.4-157.4-116.2 126.9 58.3 38.7 34.8 32 32 X G S S+ 0 0 19 -2,-0.5 193,-0.2 191,-0.3 -1,-0.1 0.795 72.8 60.2 -72.5 -31.1 54.8 37.3 35.2 33 33 X G S S- 0 0 11 2,-0.3 190,-3.4 191,-0.1 191,-0.3 0.027 91.0-106.1 -89.2-163.9 54.9 36.8 39.0 34 34 X E S S+ 0 0 152 188,-0.2 2,-0.3 189,-0.1 188,-0.1 0.270 97.9 42.8-108.2 6.3 55.5 39.1 42.0 35 35 X R S S- 0 0 64 6,-0.0 -2,-0.3 0, 0.0 2,-0.3 -0.941 75.6-121.5-144.5 162.9 59.1 37.9 42.6 36 36 X L S S+ 0 0 35 -2,-0.3 -26,-0.2 1,-0.1 174,-0.1 -0.737 79.7 62.7-102.7 160.3 62.2 37.1 40.8 37 37 X G B > -i 10 0B 2 -28,-2.9 3,-1.9 -2,-0.3 -26,-0.5 -0.055 68.1-157.0 120.4 -29.9 64.0 33.7 40.9 38 38 X G T 3 S+ 0 0 7 1,-0.3 329,-0.0 -28,-0.2 -28,-0.0 -0.408 80.2 6.0 60.2-121.9 61.4 31.4 39.4 39 39 X R T 3 S+ 0 0 57 -2,-0.2 18,-2.3 1,-0.1 2,-0.9 0.477 118.1 82.2 -75.3 -2.1 62.0 27.8 40.5 40 40 X A < + 0 0 8 -3,-1.9 2,-0.5 16,-0.2 -1,-0.1 -0.867 68.5 165.9 -98.1 96.4 64.7 29.1 42.8 41 41 X Y + 0 0 46 -2,-0.9 14,-2.8 -4,-0.1 2,-0.4 -0.874 17.3 175.1-128.9 94.6 62.4 30.1 45.6 42 42 X S E +J 54 0C 23 -2,-0.5 2,-0.3 12,-0.2 12,-0.2 -0.817 22.0 136.9 -94.1 141.8 63.5 31.0 49.1 43 43 X R E -J 53 0C 42 10,-1.9 10,-3.4 -2,-0.4 2,-0.2 -0.941 55.8 -57.9-164.2 177.4 60.9 32.3 51.6 44 44 X E E -J 52 0C 115 -2,-0.3 8,-0.2 8,-0.2 2,-0.1 -0.489 60.8-104.7 -69.7 139.8 59.7 32.0 55.2 45 45 X S - 0 0 5 6,-3.5 6,-0.2 3,-0.5 5,-0.2 -0.379 14.3-143.4 -61.8 139.0 58.7 28.5 56.4 46 46 X R S S+ 0 0 140 1,-0.1 -1,-0.1 -2,-0.1 310,-0.1 0.654 102.4 39.4 -73.0 -16.8 55.0 27.8 56.7 47 47 X N S S+ 0 0 43 1,-0.2 -1,-0.1 4,-0.1 310,-0.0 0.818 116.5 45.1-102.8 -39.3 55.7 25.7 59.7 48 48 X V S > S- 0 0 23 3,-0.2 3,-2.3 0, 0.0 -3,-0.5 -0.859 81.1-137.6-116.8 95.0 58.5 27.6 61.5 49 49 X P T 3 S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.270 90.5 19.4 -49.6 127.2 57.8 31.4 61.8 50 50 X G T 3 S+ 0 0 70 1,-0.2 2,-0.5 -5,-0.2 -6,-0.0 0.266 94.6 122.4 96.9 -7.9 61.1 33.3 61.1 51 51 X L < - 0 0 39 -3,-2.3 -6,-3.5 -6,-0.2 2,-0.6 -0.777 53.6-143.3 -98.6 127.6 62.8 30.5 59.3 52 52 X R E -J 44 0C 110 -2,-0.5 2,-0.4 -8,-0.2 -8,-0.2 -0.751 25.6-177.9 -92.8 120.8 64.1 30.9 55.7 53 53 X V E -J 43 0C 0 -10,-3.4 -10,-1.9 -2,-0.6 2,-0.8 -0.907 32.1-125.5-124.8 146.1 63.7 27.8 53.5 54 54 X E E -J 42 0C 9 -2,-0.4 -12,-0.2 -12,-0.2 4,-0.1 -0.791 25.0-179.2 -81.9 112.4 64.5 26.8 50.0 55 55 X I S S+ 0 0 2 -14,-2.8 304,-0.3 -2,-0.8 232,-0.2 0.461 71.8 3.0 -94.5 -0.8 61.3 25.6 48.5 56 56 X G S S+ 0 0 14 -15,-0.3 -16,-0.2 1,-0.3 2,-0.1 -0.315 120.0 23.2-143.0-128.7 62.8 24.7 45.2 57 57 X G + 0 0 30 -18,-2.3 -1,-0.3 1,-0.2 149,-0.2 -0.274 63.2 142.8 -53.0 118.5 66.4 24.8 43.8 58 58 X A + 0 0 5 -2,-0.1 144,-0.6 -4,-0.1 2,-0.2 0.705 40.1 70.8-124.5 -43.7 68.9 24.6 46.6 59 59 X Y E +K 201 0D 41 142,-0.1 2,-0.3 140,-0.0 349,-0.3 -0.493 44.2 169.6 -97.3 152.8 72.0 22.6 45.9 60 60 X L E -K 200 0D 0 140,-1.8 140,-2.9 -2,-0.2 139,-1.0 -0.920 22.3-147.5-144.5 172.6 75.1 23.0 43.7 61 61 X H >> - 0 0 26 -2,-0.3 4,-2.0 138,-0.2 3,-0.8 -0.876 12.5-148.3-146.6 112.7 78.5 21.5 43.1 62 62 X R T 34 S+ 0 0 95 -2,-0.3 7,-0.2 1,-0.2 8,-0.1 0.744 96.2 53.3 -51.8 -33.9 81.3 23.8 42.0 63 63 X K T 34 S+ 0 0 151 1,-0.2 -1,-0.2 2,-0.1 134,-0.0 0.878 118.3 35.0 -70.7 -38.8 83.1 21.1 39.8 64 64 X H T <4 S+ 0 0 19 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.649 121.6 48.7 -87.9 -20.7 80.0 20.3 37.8 65 65 X H X + 0 0 2 -4,-2.0 4,-2.2 1,-0.1 -1,-0.2 -0.576 57.8 157.9-124.6 68.3 78.6 23.8 37.8 66 66 X P H > S+ 0 0 77 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.826 75.8 53.5 -63.6 -32.8 81.3 26.3 36.7 67 67 X R H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.969 111.1 45.2 -67.9 -50.7 78.9 29.0 35.6 68 68 X L H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 110.8 55.2 -52.7 -43.6 77.1 29.1 38.9 69 69 X A H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.923 107.3 49.5 -59.3 -43.2 80.4 29.0 40.7 70 70 X A H X S+ 0 0 53 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.850 107.8 53.9 -67.9 -35.7 81.5 32.1 38.8 71 71 X E H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 6,-0.2 0.981 110.3 46.9 -56.8 -54.5 78.2 33.9 39.6 72 72 X L H X>S+ 0 0 2 -4,-2.6 5,-2.1 1,-0.2 4,-0.7 0.877 114.6 46.8 -55.9 -40.9 78.9 33.2 43.3 73 73 X D H ><5S+ 0 0 105 -4,-2.4 3,-0.6 3,-0.2 -1,-0.2 0.908 107.7 57.5 -66.1 -44.2 82.5 34.4 43.0 74 74 X R H 3<5S+ 0 0 119 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.884 119.3 28.8 -51.2 -46.8 81.4 37.5 41.1 75 75 X Y H 3<5S- 0 0 54 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.375 105.9-118.2-102.5 3.6 79.1 38.7 43.9 76 76 X G T <<5 + 0 0 65 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.851 47.8 175.5 61.1 36.8 80.9 37.2 46.9 77 77 X I < - 0 0 15 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.2 -0.634 27.2-126.9 -77.5 120.9 77.8 35.1 47.7 78 78 X P - 0 0 61 0, 0.0 125,-1.8 0, 0.0 126,-0.5 -0.444 24.4-166.3 -75.0 140.5 78.6 32.7 50.6 79 79 X T E -L 202 0D 45 123,-0.2 2,-0.4 -2,-0.2 123,-0.2 -0.975 5.9-157.5-124.5 140.2 78.0 29.0 50.4 80 80 X A E -L 201 0D 42 121,-1.8 121,-3.0 -2,-0.4 2,-0.2 -0.893 32.5-103.9-109.3 144.6 78.0 26.4 53.1 81 81 X A E -L 200 0D 83 -2,-0.4 119,-0.3 119,-0.2 3,-0.2 -0.492 52.8-100.7 -62.3 134.9 78.6 22.6 52.5 82 82 X A - 0 0 24 117,-2.0 -1,-0.1 1,-0.2 231,-0.1 -0.124 55.3 -61.6 -66.4 158.5 75.2 20.9 52.6 83 83 X S - 0 0 56 230,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.095 58.7-134.0 -43.4 113.6 73.9 19.0 55.7 84 84 X E - 0 0 159 -3,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.421 12.6-127.9 -72.7 148.8 76.3 16.0 56.4 85 85 X F + 0 0 52 1,-0.1 214,-0.2 -2,-0.1 15,-0.1 -0.884 39.1 155.9-108.5 112.3 74.9 12.6 57.0 86 86 X T + 0 0 99 -2,-0.6 2,-0.4 212,-0.4 213,-0.2 0.563 65.6 56.7-103.4 -16.5 76.0 10.7 60.2 87 87 X S E -m 299 0E 20 211,-2.4 213,-2.4 209,-0.1 2,-0.5 -0.973 64.3-161.9-126.9 128.9 73.0 8.4 60.6 88 88 X F E +m 300 0E 34 -2,-0.4 213,-0.2 10,-0.3 2,-0.1 -0.940 14.7 170.2-120.7 122.7 71.6 5.9 58.1 89 89 X R + 0 0 65 211,-2.5 9,-0.1 -2,-0.5 212,-0.0 -0.465 20.6 173.0-128.7 60.5 68.2 4.5 58.3 90 90 X H - 0 0 18 211,-0.2 2,-0.3 -2,-0.1 213,-0.2 -0.238 33.1-150.9 -74.3 154.8 67.5 2.7 55.0 91 91 X R B +r 303 0F 117 211,-2.2 213,-1.4 1,-0.1 214,-0.1 -0.659 58.4 119.5-117.2 72.4 64.7 0.5 54.0 92 92 X L S S- 0 0 11 1,-0.4 3,-0.2 -2,-0.3 66,-0.1 0.151 79.0 -87.9-123.1 16.1 66.6 -1.7 51.6 93 93 X G > - 0 0 47 1,-0.2 3,-1.2 -3,-0.1 -1,-0.4 -0.163 53.5 -63.6 95.3 168.9 66.1 -5.1 53.1 94 94 X P T 3 S+ 0 0 139 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.659 126.0 57.1 -69.3 -18.8 68.0 -7.1 55.8 95 95 X T T 3 S+ 0 0 76 -3,-0.2 11,-0.1 2,-0.1 -2,-0.1 0.564 82.3 106.1 -88.4 -9.7 71.3 -7.4 53.8 96 96 X A < - 0 0 20 -3,-1.2 2,-0.4 7,-0.1 7,-0.2 -0.306 68.3-129.2 -66.8 150.7 71.8 -3.7 53.3 97 97 X V - 0 0 56 5,-2.2 2,-2.3 2,-0.1 -1,-0.1 -0.871 18.4-119.6-102.8 139.3 74.5 -2.0 55.4 98 98 X D S S+ 0 0 112 -2,-0.4 -10,-0.3 -9,-0.1 2,-0.3 -0.463 78.1 93.9 -80.2 73.3 73.6 1.2 57.3 99 99 X Q S S- 0 0 109 -2,-2.3 -2,-0.1 -12,-0.1 -9,-0.1 -0.896 93.0 -87.3-145.4 177.1 76.0 3.6 55.6 100 100 X A S S+ 0 0 53 -2,-0.3 -2,-0.0 1,-0.3 -14,-0.0 0.831 126.3 43.5 -59.8 -35.3 75.9 6.1 52.7 101 101 X F S S+ 0 0 96 1,-0.1 -1,-0.3 2,-0.1 -4,-0.0 -0.873 76.4 179.5-110.4 96.0 76.8 3.3 50.3 102 102 X P + 0 0 0 0, 0.0 -5,-2.2 0, 0.0 -1,-0.1 0.423 33.3 124.1 -88.4 3.3 74.6 0.5 51.5 103 103 X I - 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