==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JUN-01 1H62 . COMPND 2 MOLECULE: PENTAERYTHRITOL TETRANITRATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR T.M.BARNA,P.C.MOODY . 364 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 1 1 1 2 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 2 3 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 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 1 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 S 0 0 117 0, 0.0 5,-0.2 0, 0.0 337,-0.1 0.000 360.0 360.0 360.0 -17.8 40.2 5.2 45.2 2 2 A A - 0 0 39 3,-0.1 4,-0.1 2,-0.1 304,-0.0 0.538 360.0-111.1 61.9 144.5 36.5 6.3 45.5 3 3 A E S S- 0 0 146 1,-0.1 -1,-0.1 2,-0.1 306,-0.0 0.956 92.7 -9.7 -73.4 -55.5 34.1 4.9 48.1 4 4 A K S > S+ 0 0 83 1,-0.1 3,-1.8 3,-0.0 15,-0.2 0.598 100.6 94.5-126.1 -13.9 31.6 2.8 46.1 5 5 A L T 3 S+ 0 0 1 1,-0.3 14,-3.0 13,-0.1 15,-0.4 0.751 93.7 49.8 -52.3 -23.7 31.9 3.2 42.4 6 6 A F T 3 S+ 0 0 42 12,-0.2 -1,-0.3 -5,-0.2 12,-0.1 -0.128 88.8 103.0-110.7 37.1 34.1 0.1 42.4 7 7 A T S < S- 0 0 47 -3,-1.8 9,-0.1 1,-0.1 -3,-0.0 -0.925 77.5 -96.9-118.4 143.0 31.9 -2.2 44.4 8 8 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 11,-0.1 -0.075 35.3-167.1 -56.5 156.1 29.8 -5.0 42.9 9 9 A L E -A 16 0A 18 7,-2.6 7,-2.8 9,-0.2 2,-0.6 -0.958 21.4-128.7-150.6 126.1 26.1 -4.6 42.1 10 10 A K E -A 15 0A 150 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.665 26.4-174.6 -77.9 118.5 23.5 -7.2 41.2 11 11 A V E > -A 14 0A 2 3,-2.6 3,-2.1 -2,-0.6 256,-0.1 -0.844 52.3 -73.1-118.0 93.2 21.7 -6.1 38.0 12 12 A G T 3 S- 0 0 22 -2,-0.6 217,-0.2 254,-0.4 216,-0.1 -0.362 117.3 -2.7 58.9-130.9 18.9 -8.5 37.2 13 13 A A T 3 S+ 0 0 40 215,-2.7 -1,-0.3 163,-0.2 2,-0.2 0.588 131.3 53.5 -68.9 -13.5 20.3 -11.8 36.0 14 14 A V E < S-A 11 0A 23 -3,-2.1 -3,-2.6 214,-0.3 2,-0.5 -0.728 72.3-129.6-121.5 172.9 23.9 -10.7 36.1 15 15 A T E -A 10 0A 89 -5,-0.2 -5,-0.2 -2,-0.2 -2,-0.0 -0.979 14.7-151.6-124.8 121.3 26.4 -9.1 38.5 16 16 A A E -A 9 0A 1 -7,-2.8 -7,-2.6 -2,-0.5 36,-0.1 -0.728 8.6-147.8 -89.6 138.7 28.5 -6.1 37.7 17 17 A P S S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.642 82.7 17.1 -79.5 -15.0 31.9 -5.8 39.5 18 18 A N S S- 0 0 11 -9,-0.1 -12,-0.2 2,-0.1 -9,-0.2 -0.939 72.5-122.7-148.4 167.1 31.7 -2.0 39.5 19 19 A R S S+ 0 0 35 -14,-3.0 301,-2.4 -2,-0.3 2,-0.9 0.157 76.0 108.1-101.6 17.6 29.1 0.7 39.1 20 20 A V E -b 320 0B 0 -15,-0.4 32,-2.5 299,-0.2 33,-0.5 -0.836 52.2-175.0 -97.5 104.2 30.8 2.5 36.2 21 21 A F E -bc 321 53B 0 299,-3.2 301,-3.3 -2,-0.9 2,-0.7 -0.684 28.0-123.4-102.5 155.2 28.6 1.7 33.1 22 22 A M E -bc 322 54B 1 31,-2.3 33,-1.7 -2,-0.3 301,-0.2 -0.860 33.0-134.4 -95.9 114.7 29.1 2.6 29.5 23 23 A A - 0 0 5 299,-2.4 2,-0.2 -2,-0.7 32,-0.1 -0.236 33.8 -85.5 -65.7 156.1 26.1 4.5 28.2 24 24 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.464 52.3-171.2 -64.8 130.3 24.4 3.5 24.9 25 25 A L - 0 0 26 30,-0.4 2,-0.3 -2,-0.2 32,-0.3 -0.895 18.7-144.7-134.4 106.5 26.3 5.4 22.2 26 26 A T + 0 0 32 -2,-0.4 45,-0.1 1,-0.2 33,-0.1 -0.507 25.6 167.8 -65.6 123.4 25.3 5.6 18.6 27 27 A R - 0 0 1 -2,-0.3 325,-2.3 43,-0.1 -1,-0.2 0.499 32.9-141.1-117.0 -8.1 28.4 5.6 16.4 28 28 A L + 0 0 3 323,-0.2 325,-0.2 1,-0.1 43,-0.2 0.831 60.3 124.6 49.5 47.6 27.0 5.0 13.0 29 29 A R + 0 0 15 41,-0.3 42,-0.1 323,-0.2 12,-0.1 0.206 33.2 125.0-118.1 15.8 29.7 2.7 11.7 30 30 A S - 0 0 3 40,-2.4 2,-0.3 1,-0.1 5,-0.1 -0.284 66.5 -95.5 -74.1 161.3 27.7 -0.4 10.7 31 31 A I B >> -K 36 0C 83 5,-2.9 5,-1.8 3,-0.1 4,-0.8 -0.556 41.6-127.2 -79.8 137.7 27.8 -2.0 7.3 32 32 A E T 45S+ 0 0 61 -2,-0.3 2,-0.1 2,-0.2 37,-0.0 -0.990 86.1 47.3-129.8 138.6 25.2 -1.0 4.6 33 33 A P T 45S+ 0 0 123 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 0.525 129.9 22.4 -70.4 156.7 23.3 -2.7 3.0 34 34 A G T 45S- 0 0 33 1,-0.2 39,-0.2 -2,-0.1 -2,-0.2 0.156 96.9-116.2 107.3 -19.1 22.2 -4.8 5.9 35 35 A D T <5 + 0 0 14 -4,-0.8 38,-1.8 1,-0.2 -3,-0.2 0.944 56.5 177.2 48.0 53.0 22.9 -2.5 8.9 36 36 A I B < -K 31 0C 38 -5,-1.8 -5,-2.9 -3,-0.2 -1,-0.2 -0.753 32.0-119.4 -97.3 131.1 25.4 -5.2 10.0 37 37 A P - 0 0 6 0, 0.0 -7,-0.1 0, 0.0 -1,-0.1 -0.290 36.5-138.3 -61.5 151.9 27.7 -4.9 13.0 38 38 A T > - 0 0 18 1,-0.1 4,-1.8 45,-0.0 5,-0.1 -0.648 22.0-114.0-115.7 168.3 31.4 -5.1 12.1 39 39 A P H > S+ 0 0 99 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.873 120.1 57.2 -64.1 -34.2 34.6 -6.6 13.4 40 40 A L H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.904 105.1 49.2 -61.6 -43.1 35.8 -3.1 14.1 41 41 A M H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.856 107.9 56.0 -64.3 -34.6 32.7 -2.5 16.3 42 42 A G H X S+ 0 0 15 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.916 107.6 47.4 -63.2 -42.6 33.6 -5.8 18.0 43 43 A E H X S+ 0 0 103 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.919 108.9 55.5 -63.5 -44.7 37.0 -4.5 18.9 44 44 A Y H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.905 112.5 40.9 -54.0 -48.5 35.6 -1.2 20.1 45 45 A Y H >< S+ 0 0 1 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.877 111.8 56.3 -70.9 -37.6 33.3 -3.0 22.6 46 46 A R H >< S+ 0 0 109 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.857 101.3 57.9 -63.2 -34.4 36.0 -5.5 23.6 47 47 A Q H 3< S+ 0 0 59 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.739 110.5 44.3 -66.8 -23.0 38.3 -2.6 24.5 48 48 A R T X< S+ 0 0 0 -3,-0.9 3,-1.7 -4,-0.5 -1,-0.3 0.156 75.6 117.5-108.6 18.9 35.7 -1.4 27.0 49 49 A A T < + 0 0 5 -3,-1.3 47,-0.2 1,-0.3 -1,-0.2 0.542 60.1 74.2 -65.0 -9.3 34.8 -4.8 28.5 50 50 A S T 3 S+ 0 0 57 280,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.538 71.3 114.0 -82.2 -5.1 36.0 -3.8 32.0 51 51 A A S < S- 0 0 1 -3,-1.7 45,-0.4 279,-0.1 3,-0.2 -0.282 81.6-119.5 -61.8 149.8 32.9 -1.6 32.4 52 52 A G S S- 0 0 0 -32,-2.5 2,-0.3 1,-0.3 -31,-0.2 0.892 99.1 -5.3 -58.1 -36.3 30.5 -2.8 35.1 53 53 A L E -c 21 0B 2 -33,-0.5 -31,-2.3 -37,-0.1 2,-0.5 -0.921 68.3-142.9-159.4 130.5 28.0 -3.1 32.2 54 54 A I E -cd 22 97B 0 42,-2.8 44,-3.4 -2,-0.3 2,-0.6 -0.849 11.7-163.1 -96.9 129.6 28.2 -2.2 28.6 55 55 A I E - d 0 98B 0 -33,-1.7 -30,-0.4 -2,-0.5 44,-0.2 -0.969 23.4-131.2-111.9 118.6 25.0 -0.8 27.0 56 56 A S E - 0 0 0 42,-3.3 3,-0.1 -2,-0.6 -30,-0.1 -0.080 27.8 -84.8 -66.4 167.6 25.3 -1.0 23.2 57 57 A E E - 0 0 1 -32,-0.3 43,-0.5 -33,-0.2 -1,-0.1 -0.293 69.5 -72.4 -63.6 157.1 24.5 1.8 20.7 58 58 A A E - d 0 100B 1 41,-0.1 2,-0.4 43,-0.1 43,-0.2 -0.314 58.7-160.4 -56.3 133.5 20.8 2.0 19.8 59 59 A T E - d 0 101B 0 41,-2.3 43,-2.1 -3,-0.1 14,-0.3 -0.976 18.1-109.9-126.9 133.3 19.9 -1.0 17.6 60 60 A Q E -ed 73 102B 0 12,-2.9 14,-2.3 -2,-0.4 43,-0.2 -0.287 12.0-160.6 -61.2 134.5 16.9 -1.5 15.3 61 61 A I S S- 0 0 5 41,-1.4 2,-0.3 12,-0.2 -1,-0.1 0.609 82.5 -3.4 -86.4 -13.4 14.2 -4.0 16.2 62 62 A S S S- 0 0 14 40,-0.3 4,-0.4 1,-0.1 -1,-0.2 -0.950 79.5 -96.8-163.1 173.6 13.2 -4.0 12.6 63 63 A A S > S+ 0 0 45 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.872 123.2 56.6 -70.3 -35.7 14.0 -2.3 9.2 64 64 A Q T 3 S+ 0 0 48 1,-0.3 56,-0.3 49,-0.1 -1,-0.2 0.811 97.3 64.5 -63.3 -29.7 11.1 0.1 9.8 65 65 A A T 3 S+ 0 0 0 38,-0.1 39,-2.2 39,-0.1 -1,-0.3 0.699 78.4 113.3 -67.0 -20.2 12.8 1.1 13.1 66 66 A K < + 0 0 20 -3,-1.3 43,-0.3 -4,-0.4 46,-0.1 -0.303 24.5 152.6 -60.5 130.7 15.8 2.5 11.2 67 67 A G + 0 0 0 1,-0.3 2,-0.4 41,-0.2 65,-0.2 0.421 60.5 51.4-134.6 -9.1 16.2 6.3 11.3 68 68 A Y S > S- 0 0 20 63,-0.1 3,-1.4 44,-0.1 2,-0.3 -0.999 78.3-121.3-136.4 136.6 20.0 6.7 10.8 69 69 A A T 3 S+ 0 0 3 63,-2.6 283,-0.1 -2,-0.4 -37,-0.1 -0.571 102.1 26.8 -73.3 130.8 22.4 5.3 8.2 70 70 A G T 3 S+ 0 0 0 1,-0.4 -40,-2.4 -2,-0.3 -41,-0.3 0.237 87.3 125.1 102.7 -16.0 25.0 3.3 9.9 71 71 A A < - 0 0 0 -3,-1.4 -1,-0.4 -43,-0.2 -12,-0.1 -0.593 59.8-120.4 -77.7 139.4 23.0 2.3 12.9 72 72 A P - 0 0 0 0, 0.0 -12,-2.9 0, 0.0 2,-0.3 -0.320 20.2-148.4 -80.9 162.4 22.8 -1.5 13.5 73 73 A G B -e 60 0B 0 -38,-1.8 -12,-0.2 -14,-0.3 -10,-0.1 -0.778 14.0-158.2-122.6 168.4 19.8 -3.8 13.6 74 74 A L S S+ 0 0 0 -14,-2.3 95,-0.2 -2,-0.3 96,-0.1 -0.298 73.9 85.1-140.3 48.2 19.0 -7.0 15.4 75 75 A H S S+ 0 0 59 94,-0.1 -14,-0.1 -13,-0.0 -12,-0.1 0.551 75.4 67.6-123.6 -17.4 16.2 -8.4 13.2 76 76 A S S > S- 0 0 21 -42,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.725 80.8-117.8-109.6 158.1 18.1 -10.3 10.4 77 77 A P H > S+ 0 0 96 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.917 116.2 52.2 -54.9 -46.4 20.2 -13.5 10.4 78 78 A E H > S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.880 110.9 47.5 -58.8 -40.8 23.2 -11.6 9.2 79 79 A Q H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 110.8 50.9 -67.6 -44.2 22.8 -9.1 12.1 80 80 A I H X S+ 0 0 22 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.921 110.4 49.7 -59.4 -44.8 22.3 -11.8 14.7 81 81 A A H X S+ 0 0 53 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.883 111.7 48.2 -62.7 -40.1 25.5 -13.6 13.5 82 82 A A H >X S+ 0 0 12 -4,-1.8 4,-1.4 -5,-0.2 3,-0.6 0.931 111.4 49.3 -67.4 -45.0 27.5 -10.4 13.7 83 83 A W H 3X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.846 102.6 63.2 -62.7 -33.9 26.3 -9.5 17.2 84 84 A K H 3X S+ 0 0 82 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.859 104.0 47.7 -59.4 -35.6 27.1 -13.0 18.4 85 85 A K H <>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-0.6 0.897 113.8 47.9 -64.4 -41.5 33.1 -9.0 25.4 91 91 A H H ><5S+ 0 0 65 -4,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.823 101.5 63.7 -70.2 -30.5 32.5 -12.2 27.4 92 92 A A H 3<5S+ 0 0 56 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.809 106.6 46.1 -62.4 -26.4 36.0 -13.4 26.4 93 93 A E T <<5S- 0 0 94 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.190 124.0-108.3 -99.4 14.9 37.1 -10.5 28.5 94 94 A D T < 5S+ 0 0 128 -3,-2.2 -3,-0.2 1,-0.2 2,-0.2 0.877 74.0 137.2 61.5 41.9 34.7 -11.3 31.3 95 95 A G < - 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