==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-MAY-04 1VYP . COMPND 2 MOLECULE: PENTAERYTHRITOL TETRANITRATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR T.BARNA,P.C.E.MOODY . 361 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14172.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.9 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 . 2 0.6 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 . 15 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 1 0 2 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 3 X E 0 0 147 0, 0.0 3,-0.0 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 148.9 34.7 4.1 48.4 2 4 X K > + 0 0 96 1,-0.1 3,-1.6 2,-0.1 15,-0.1 0.489 360.0 93.9-117.7 -8.5 32.0 1.8 46.8 3 5 X L T 3 S+ 0 0 2 1,-0.3 14,-2.8 13,-0.1 15,-0.4 0.718 89.7 49.3 -62.1 -22.4 32.5 2.2 43.0 4 6 X F T 3 S+ 0 0 37 12,-0.2 -1,-0.3 13,-0.1 -2,-0.1 0.003 90.9 99.8-110.9 28.9 34.8 -0.9 42.9 5 7 X T S < S- 0 0 51 -3,-1.6 -3,-0.1 1,-0.1 9,-0.0 -0.839 78.2 -96.3-111.5 147.9 32.5 -3.2 44.9 6 8 X P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 11,-0.1 -0.151 32.9-167.3 -65.2 158.9 30.2 -5.9 43.3 7 9 X L E -A 14 0A 18 7,-2.3 7,-2.6 9,-0.2 2,-0.5 -0.968 20.8-131.1-147.2 125.6 26.5 -5.5 42.5 8 10 X K E -A 13 0A 134 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.727 24.5-174.1 -79.6 121.9 23.8 -8.1 41.6 9 11 X V E > -A 12 0A 2 3,-2.7 3,-2.1 -2,-0.5 256,-0.1 -0.893 54.1 -72.4-119.7 93.9 22.0 -6.9 38.5 10 12 X G T 3 S- 0 0 19 -2,-0.5 217,-0.2 254,-0.4 -1,-0.1 -0.311 118.4 -1.4 51.3-125.7 19.1 -9.3 37.8 11 13 X A T 3 S+ 0 0 29 215,-2.3 2,-0.3 163,-0.2 -1,-0.3 0.543 129.8 54.8 -74.5 -8.5 20.6 -12.5 36.4 12 14 X V E < S-A 9 0A 23 -3,-2.1 -3,-2.7 214,-0.2 2,-0.5 -0.793 71.5-131.4-122.7 167.5 24.3 -11.4 36.4 13 15 X T E -A 8 0A 80 -2,-0.3 -5,-0.2 -5,-0.2 -2,-0.0 -0.972 15.2-150.8-119.0 117.1 26.7 -9.9 38.9 14 16 X A E -A 7 0A 2 -7,-2.6 -7,-2.3 -2,-0.5 36,-0.1 -0.699 8.2-147.1 -80.6 134.7 28.8 -6.9 38.1 15 17 X P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.607 81.5 13.4 -78.6 -10.2 32.3 -6.7 39.8 16 18 X N S S- 0 0 13 -9,-0.1 -12,-0.2 2,-0.1 -9,-0.2 -0.930 72.8-118.8-153.4 172.9 32.1 -2.9 40.0 17 19 X R S S+ 0 0 34 -14,-2.8 301,-2.2 -2,-0.3 2,-0.9 0.168 76.5 108.4-107.8 15.7 29.6 -0.0 39.6 18 20 X V E -b 318 0B 0 -15,-0.4 32,-2.3 299,-0.2 33,-0.5 -0.832 52.1-175.3 -96.3 98.8 31.3 1.8 36.7 19 21 X F E -b 319 0B 0 299,-2.9 301,-2.5 -2,-0.9 2,-0.7 -0.688 27.4-123.2-100.3 151.0 29.1 1.1 33.7 20 22 X M E -bc 320 52B 1 31,-2.5 33,-1.9 -2,-0.3 301,-0.2 -0.850 32.2-135.1 -91.7 116.3 29.5 2.0 30.0 21 23 X A - 0 0 6 299,-2.2 2,-0.2 -2,-0.7 32,-0.1 -0.268 32.4 -86.6 -64.6 154.6 26.5 4.1 28.8 22 24 X P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.506 52.5-173.1 -63.9 128.5 24.8 3.3 25.4 23 25 X L - 0 0 28 30,-0.3 32,-0.3 -2,-0.2 2,-0.3 -0.917 20.2-143.6-138.0 106.4 26.7 5.3 22.7 24 26 X T + 0 0 42 -2,-0.4 45,-0.1 1,-0.2 33,-0.0 -0.527 26.9 166.2 -64.3 124.0 25.7 5.6 19.0 25 27 X R - 0 0 1 -2,-0.3 325,-2.4 43,-0.1 -1,-0.2 0.485 34.2-140.1-124.0 -12.2 28.9 5.6 16.9 26 28 X L + 0 0 3 323,-0.2 325,-0.2 1,-0.1 43,-0.2 0.821 59.8 125.7 56.9 46.7 27.4 5.0 13.4 27 29 X R + 0 0 15 41,-0.3 12,-0.1 323,-0.2 42,-0.1 0.197 32.4 123.9-117.3 11.8 30.1 2.6 12.1 28 30 X S - 0 0 2 40,-2.3 2,-0.3 1,-0.1 5,-0.1 -0.318 66.9 -96.6 -74.1 158.4 28.0 -0.4 11.0 29 31 X I B >> -K 34 0C 69 5,-2.5 5,-1.9 3,-0.1 4,-0.9 -0.571 39.8-127.6 -75.1 134.3 28.1 -1.8 7.4 30 32 X E T 45S+ 0 0 66 -2,-0.3 2,-0.1 2,-0.2 37,-0.0 -0.982 86.3 50.6-118.4 139.9 25.5 -0.8 4.8 31 33 X P T 45S+ 0 0 121 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.496 127.7 20.1 -73.2 154.0 23.8 -2.5 3.1 32 34 X G T 45S- 0 0 35 1,-0.1 39,-0.2 -2,-0.1 -2,-0.2 0.171 96.5-112.5 113.1 -14.0 22.4 -4.6 5.9 33 35 X D T <5 + 0 0 19 -4,-0.9 38,-2.0 1,-0.2 -3,-0.2 0.939 59.5 173.3 53.9 51.0 23.0 -2.5 9.1 34 36 X I B < -K 29 0C 43 -5,-1.9 -5,-2.5 36,-0.2 -1,-0.2 -0.783 34.4-121.7-102.8 127.9 25.6 -5.2 10.2 35 37 X P - 0 0 8 0, 0.0 -7,-0.1 0, 0.0 46,-0.0 -0.293 35.2-143.2 -57.6 153.3 27.9 -5.0 13.2 36 38 X T > - 0 0 22 1,-0.1 4,-2.1 45,-0.0 5,-0.1 -0.716 24.9-109.1-120.2 163.4 31.7 -5.3 12.3 37 39 X P H > S+ 0 0 122 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.856 120.1 58.2 -57.6 -33.7 34.9 -6.8 13.6 38 40 X L H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.925 105.5 48.7 -62.5 -44.1 36.1 -3.2 14.3 39 41 X M H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.903 108.7 55.0 -58.2 -41.1 33.0 -2.8 16.6 40 42 X G H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.907 107.8 48.2 -56.9 -44.6 33.9 -6.1 18.2 41 43 X E H X S+ 0 0 102 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 109.6 53.3 -62.5 -45.6 37.4 -4.8 19.0 42 44 X Y H X S+ 0 0 1 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.908 112.4 43.4 -55.2 -48.9 36.0 -1.6 20.5 43 45 X Y H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.905 111.5 54.1 -68.9 -39.2 33.7 -3.4 22.9 44 46 X R H >< S+ 0 0 110 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.881 102.7 57.9 -61.2 -37.3 36.4 -6.0 23.9 45 47 X Q H 3< S+ 0 0 62 -4,-2.3 -1,-0.3 1,-0.2 3,-0.2 0.735 110.1 45.1 -60.2 -26.7 38.7 -3.1 24.8 46 48 X R T X< S+ 0 0 0 -3,-1.1 3,-2.0 -4,-0.6 -1,-0.2 0.219 76.4 115.1-104.2 12.8 36.0 -1.9 27.3 47 49 X A T < + 0 0 5 -3,-1.4 47,-0.2 1,-0.3 -1,-0.1 0.561 59.9 74.0 -71.0 -8.5 35.2 -5.3 28.8 48 50 X S T 3 S+ 0 0 59 280,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.609 72.8 114.5 -76.3 -10.1 36.5 -4.4 32.4 49 51 X A S < S- 0 0 1 -3,-2.0 45,-0.4 279,-0.2 3,-0.2 -0.250 81.1-121.8 -53.7 144.3 33.3 -2.2 32.7 50 52 X G S S- 0 0 1 -32,-2.3 2,-0.3 1,-0.3 -31,-0.2 0.892 98.3 -6.2 -52.9 -40.5 30.9 -3.5 35.5 51 53 X L - 0 0 4 -33,-0.5 -31,-2.5 -37,-0.1 2,-0.5 -0.918 68.1-143.5-153.6 133.2 28.4 -3.7 32.6 52 54 X I E -cd 20 95B 1 42,-2.5 44,-3.0 -2,-0.3 2,-0.5 -0.879 11.9-162.3 -90.5 130.3 28.6 -2.6 28.9 53 55 X I E - d 0 96B 0 -33,-1.9 -30,-0.3 -2,-0.5 44,-0.2 -0.977 23.9-129.4-107.4 124.2 25.3 -1.2 27.5 54 56 X S E - 0 0 0 42,-2.7 3,-0.1 -2,-0.5 -30,-0.1 -0.171 26.7 -84.0 -67.7 162.9 25.5 -1.2 23.6 55 57 X E E - 0 0 2 -32,-0.3 43,-0.5 -33,-0.2 -1,-0.1 -0.218 68.7 -72.9 -46.2 149.2 24.8 1.5 21.1 56 58 X A E - d 0 98B 3 41,-0.1 2,-0.4 -3,-0.1 43,-0.2 -0.274 56.2-163.1 -52.6 130.8 21.1 1.9 20.2 57 59 X T E - d 0 99B 0 41,-2.1 43,-2.2 -3,-0.1 14,-0.2 -0.981 15.8-123.7-128.1 121.4 20.1 -1.1 18.0 58 60 X Q E -ed 71 100B 0 12,-2.1 14,-1.9 -2,-0.4 43,-0.2 -0.450 5.2-148.3 -73.9 141.9 16.9 -1.0 15.9 59 61 X I S S- 0 0 5 41,-1.8 2,-0.3 12,-0.2 -1,-0.1 0.560 78.6 -0.5 -79.4 -11.9 14.3 -3.8 16.3 60 62 X S S S- 0 0 15 1,-0.1 4,-0.4 104,-0.0 -1,-0.1 -0.960 80.4 -93.8-165.5 168.6 13.2 -3.7 12.6 61 63 X A S > S+ 0 0 46 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.906 125.5 53.0 -61.9 -42.3 13.9 -1.9 9.3 62 64 X Q T 3 S+ 0 0 49 1,-0.3 56,-0.2 49,-0.1 -1,-0.2 0.845 102.2 60.8 -60.8 -35.2 11.0 0.5 10.0 63 65 X A T 3 S+ 0 0 0 38,-0.1 39,-2.1 39,-0.1 -1,-0.3 0.591 80.2 111.2 -68.5 -14.6 12.7 1.2 13.4 64 66 X K < + 0 0 15 -3,-1.3 46,-0.1 -4,-0.4 3,-0.1 -0.466 28.4 159.4 -67.6 130.6 15.9 2.6 11.8 65 67 X G + 0 0 0 -2,-0.2 2,-0.4 1,-0.2 65,-0.2 0.567 58.4 52.6-119.0 -16.8 16.6 6.3 12.1 66 68 X Y S > S- 0 0 14 63,-0.1 3,-1.7 40,-0.1 2,-0.3 -0.987 75.7-123.0-132.9 129.3 20.4 6.6 11.5 67 69 X A T 3 S+ 0 0 4 63,-2.2 -37,-0.1 -2,-0.4 -39,-0.0 -0.559 104.2 26.8 -66.3 128.4 22.6 5.5 8.6 68 70 X G T 3 S+ 0 0 0 1,-0.4 -40,-2.3 -2,-0.3 -41,-0.3 0.299 88.8 124.4 96.9 -9.8 25.4 3.3 10.3 69 71 X A < - 0 0 2 -3,-1.7 -1,-0.4 -43,-0.2 2,-0.1 -0.645 59.3-122.8 -78.6 141.7 23.3 2.2 13.3 70 72 X P - 0 0 0 0, 0.0 -12,-2.1 0, 0.0 2,-0.2 -0.448 19.5-146.3 -83.2 160.0 23.0 -1.6 13.7 71 73 X G B -e 58 0B 0 -38,-2.0 -12,-0.2 -14,-0.2 -10,-0.0 -0.692 13.5-154.1-113.7 173.0 19.9 -3.9 13.8 72 74 X L S S+ 0 0 0 -14,-1.9 95,-0.2 -2,-0.2 96,-0.1 -0.273 75.5 82.1-139.1 47.8 18.9 -7.1 15.6 73 75 X H S S+ 0 0 66 -15,-0.1 -14,-0.1 94,-0.1 -12,-0.0 0.602 74.6 70.2-121.2 -23.9 16.3 -8.5 13.2 74 76 X S S > S- 0 0 22 -42,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.602 80.6-117.2-102.7 159.0 18.1 -10.4 10.3 75 77 X P H > S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.901 116.2 51.7 -55.8 -40.6 20.2 -13.6 10.3 76 78 X E H > S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.875 109.4 49.3 -69.2 -35.2 23.3 -11.7 9.3 77 79 X Q H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.921 110.8 50.0 -65.1 -45.6 22.9 -9.2 12.2 78 80 X I H X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.933 111.0 49.3 -59.1 -46.0 22.4 -12.1 14.7 79 81 X A H X S+ 0 0 40 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.892 113.0 46.8 -62.9 -39.8 25.5 -13.9 13.5 80 82 X A H X S+ 0 0 16 -4,-1.8 4,-1.4 1,-0.2 3,-0.3 0.916 111.4 49.8 -70.9 -43.7 27.7 -10.7 13.7 81 83 X W H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.871 103.1 62.6 -61.9 -34.2 26.4 -9.8 17.2 82 84 X K H X S+ 0 0 97 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.870 103.3 49.1 -58.0 -39.6 27.2 -13.3 18.4 83 85 X K H X S+ 0 0 153 -4,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.887 110.4 51.3 -66.2 -39.1 30.9 -12.7 17.6 84 86 X I H X S+ 0 0 5 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.928 111.1 45.3 -65.1 -46.7 30.8 -9.4 19.6 85 87 X T H X S+ 0 0 5 -4,-2.6 4,-2.5 86,-0.3 5,-0.2 0.898 110.6 55.7 -66.0 -37.5 29.3 -10.9 22.7 86 88 X A H X S+ 0 0 58 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.896 106.7 50.0 -59.6 -40.8 31.7 -13.9 22.5 87 89 X G H X S+ 0 0 12 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.906 110.7 48.8 -67.3 -39.5 34.7 -11.4 22.5 88 90 X V H ><>S+ 0 0 0 -4,-1.8 5,-2.4 1,-0.2 3,-0.6 0.928 112.8 48.1 -61.9 -45.9 33.4 -9.5 25.6 89 91 X H H ><5S+ 0 0 70 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.848 102.4 62.4 -66.4 -31.5 32.8 -12.8 27.4 90 92 X A H 3<5S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.796 106.5 47.0 -62.4 -29.6 36.4 -14.0 26.5 91 93 X E T <<5S- 0 0 100 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.242 124.1-106.4 -93.9 11.9 37.6 -11.0 28.5 92 94 X D T < 5S+ 0 0 134 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.762 75.6 136.4 70.4 28.2 35.3 -11.8 31.5 93 95 X G < - 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