==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (NITRIC OXIDE(A)) 03-JUL-95 1NTD . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR M.E.P.MURPHY,E.T.ADMAN,S.TURLEY . 336 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 22.3 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 41 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 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 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 5 2 2 2 0 2 1 2 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 . 2 1 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 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 5 A T 0 0 162 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.4 94.5 24.8 -20.2 2 6 A A >> - 0 0 32 1,-0.1 4,-1.3 3,-0.1 3,-1.2 0.188 360.0-121.3 -33.7 144.4 98.3 23.7 -20.0 3 7 A A T 34 S+ 0 0 85 1,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.728 114.3 53.1 -62.5 -25.6 100.7 24.9 -17.2 4 8 A E T >4 S+ 0 0 152 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.704 104.0 56.1 -80.5 -27.4 103.0 26.4 -19.8 5 9 A I T <4 S+ 0 0 99 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.771 92.2 70.1 -76.4 -27.9 100.2 28.4 -21.4 6 10 A A T 3< + 0 0 5 -4,-1.3 2,-2.5 1,-0.2 -1,-0.2 0.650 69.8 95.8 -65.8 -15.5 99.4 30.0 -18.0 7 11 A A < + 0 0 81 -3,-0.5 -1,-0.2 -4,-0.2 3,-0.1 -0.573 63.0 134.6 -76.2 76.1 102.7 31.9 -18.4 8 12 A L - 0 0 47 -2,-2.5 25,-0.1 1,-0.2 26,-0.1 -0.516 67.7 -48.5-111.2-179.4 100.5 34.8 -19.8 9 13 A P - 0 0 86 0, 0.0 25,-2.8 0, 0.0 2,-0.3 -0.333 58.9-149.4 -61.2 136.0 100.7 38.6 -19.0 10 14 A R E -a 34 0A 102 23,-0.2 2,-0.4 -3,-0.1 25,-0.2 -0.811 10.9-167.4-106.3 147.9 100.7 39.2 -15.3 11 15 A Q E -a 35 0A 83 23,-2.4 25,-3.3 -2,-0.3 2,-0.4 -0.923 9.3-151.7-142.8 112.4 99.2 42.3 -13.7 12 16 A K E -a 36 0A 157 -2,-0.4 2,-0.4 23,-0.2 25,-0.2 -0.667 17.0-162.3 -83.5 133.5 99.8 43.3 -10.1 13 17 A V - 0 0 19 23,-2.6 2,-0.5 -2,-0.4 25,-0.4 -0.948 12.0-145.3-121.2 140.2 96.9 45.4 -8.7 14 18 A E - 0 0 161 -2,-0.4 9,-0.3 23,-0.1 2,-0.2 -0.931 25.4-132.2-104.3 123.4 97.0 47.6 -5.6 15 19 A L - 0 0 33 -2,-0.5 2,-0.6 23,-0.2 54,-0.1 -0.505 9.1-145.7 -80.8 145.0 93.7 47.5 -3.6 16 20 A V - 0 0 60 52,-0.3 4,-0.4 -2,-0.2 52,-0.3 -0.851 30.7-102.7-120.2 109.0 91.8 50.5 -2.4 17 21 A D > - 0 0 98 -2,-0.6 3,-1.8 2,-0.1 49,-0.1 0.476 64.5 -56.1 -17.1 130.6 89.8 50.4 0.8 18 22 A P T 3 S+ 0 0 11 0, 0.0 46,-0.1 0, 0.0 -1,-0.1 -0.444 116.9 31.3 -59.1 146.0 86.0 50.1 0.4 19 23 A P T 3 S+ 0 0 8 0, 0.0 154,-1.0 0, 0.0 2,-0.2 -0.883 103.0 67.3-112.0 48.5 84.3 51.7 -1.0 20 24 A F S < S- 0 0 133 -3,-1.8 2,-0.4 -4,-0.4 48,-0.4 -0.639 76.7-129.2 -92.7 164.6 86.3 53.0 -3.9 21 25 A V - 0 0 22 150,-0.3 3,-0.1 -2,-0.2 48,-0.1 -0.903 22.2-105.9-115.0 138.6 87.3 50.4 -6.4 22 26 A H - 0 0 5 46,-0.6 -7,-0.1 -2,-0.4 -1,-0.1 -0.236 54.9 -79.0 -56.1 158.9 90.8 49.9 -7.6 23 27 A A + 0 0 91 -9,-0.3 2,-0.3 1,-0.0 47,-0.1 -0.254 67.4 142.7 -61.5 148.5 91.4 51.1 -11.2 24 28 A H - 0 0 63 -3,-0.1 2,-0.4 47,-0.0 47,-0.0 -0.955 45.1-107.8-172.0 172.9 90.3 48.8 -14.0 25 29 A S - 0 0 30 -2,-0.3 132,-0.1 1,-0.1 4,-0.1 -0.915 13.4-144.6-118.1 145.8 88.8 49.0 -17.5 26 30 A Q S S+ 0 0 39 -2,-0.4 2,-0.5 142,-0.1 131,-0.5 0.902 91.9 52.4 -75.1 -42.6 85.3 47.9 -18.3 27 31 A V S S- 0 0 87 129,-0.2 129,-0.2 130,-0.1 2,-0.2 -0.823 104.1-107.3 -96.2 126.9 86.1 46.4 -21.7 28 32 A A - 0 0 16 127,-3.3 -2,-0.1 -2,-0.5 -1,-0.0 -0.429 25.0-148.1 -56.8 123.0 89.0 43.9 -21.5 29 33 A E - 0 0 157 -2,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.686 67.3 -25.3 -69.1 -22.7 92.0 45.6 -23.0 30 34 A G S S- 0 0 52 1,-0.3 3,-0.1 125,-0.0 -2,-0.1 -0.337 94.2 -34.4-152.1-126.5 93.5 42.4 -24.4 31 35 A G S S- 0 0 45 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 -0.421 82.2 -53.3-105.2-176.4 93.6 38.7 -23.9 32 36 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.257 59.8-179.9 -58.3 145.2 93.5 36.7 -20.6 33 37 A K - 0 0 24 -25,-0.1 43,-2.4 39,-0.1 2,-0.7 -0.862 34.6-108.6-141.7 168.5 96.0 37.7 -17.9 34 38 A V E -ab 10 76A 0 -25,-2.8 -23,-2.4 -2,-0.3 2,-0.5 -0.951 35.4-154.8-103.7 114.5 96.9 36.6 -14.5 35 39 A V E -ab 11 77A 5 41,-3.0 43,-3.1 -2,-0.7 2,-0.5 -0.830 7.8-148.6 -95.8 126.8 95.8 39.3 -12.1 36 40 A E E +ab 12 78A 56 -25,-3.3 -23,-2.6 -2,-0.5 2,-0.3 -0.831 19.8 171.0-106.1 131.3 97.6 39.5 -8.9 37 41 A F E - b 0 79A 1 41,-2.5 43,-2.5 -2,-0.5 2,-0.4 -0.943 14.4-157.9-133.3 150.4 96.3 40.6 -5.5 38 42 A T E + b 0 80A 66 -25,-0.4 2,-0.3 -2,-0.3 -23,-0.2 -0.986 13.5 177.2-130.4 135.2 97.7 40.6 -2.0 39 43 A M E - b 0 81A 0 41,-2.6 43,-2.1 -2,-0.4 2,-0.4 -0.997 15.4-157.3-140.5 147.8 95.7 40.7 1.2 40 44 A V E - b 0 82A 43 -2,-0.3 21,-3.4 41,-0.2 2,-0.5 -0.947 19.1-134.4-120.1 137.0 96.6 40.5 4.9 41 45 A I E -D 60 0B 0 41,-2.0 2,-0.5 -2,-0.4 19,-0.2 -0.837 22.7-162.3 -94.1 128.7 94.0 39.4 7.5 42 46 A E E -D 59 0B 77 17,-2.5 17,-3.2 -2,-0.5 2,-0.8 -0.946 13.1-154.5-118.2 124.6 93.9 41.7 10.5 43 47 A E E +D 58 0B 33 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.880 41.4 146.4 -92.0 113.4 92.4 40.8 13.8 44 48 A K E -D 57 0B 71 13,-1.8 13,-2.6 -2,-0.8 2,-0.4 -0.994 51.1-107.2-152.5 156.1 91.5 44.1 15.4 45 49 A K E -D 56 0B 106 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.680 38.3-179.5 -83.6 133.3 89.1 46.0 17.6 46 50 A I E -D 55 0B 26 9,-2.3 9,-2.0 -2,-0.4 2,-0.6 -0.919 28.4-124.2-130.9 154.9 86.8 48.4 15.8 47 51 A V E -D 54 0B 82 -2,-0.3 7,-0.2 7,-0.2 3,-0.0 -0.925 23.8-176.0-101.8 119.3 84.1 50.8 17.1 48 52 A I + 0 0 0 5,-2.7 172,-2.2 -2,-0.6 2,-0.3 0.480 59.2 25.7 -97.1 -4.2 80.8 50.1 15.3 49 53 A D S > S- 0 0 25 4,-0.4 3,-1.4 170,-0.2 4,-0.1 -0.952 82.1 -99.5-150.7 172.3 78.5 52.8 16.7 50 54 A D T 3 S+ 0 0 156 -2,-0.3 169,-0.0 1,-0.3 171,-0.0 0.547 115.8 63.8 -72.3 -5.8 78.4 56.3 18.2 51 55 A A T 3 S- 0 0 83 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.195 118.6-105.0-101.5 13.5 78.1 54.8 21.7 52 56 A G < + 0 0 33 -3,-1.4 2,-0.5 1,-0.2 -2,-0.1 0.767 51.9 174.7 71.1 32.1 81.5 53.1 21.5 53 57 A T - 0 0 9 -4,-0.1 -5,-2.7 1,-0.0 -4,-0.4 -0.595 18.9-148.9 -75.5 119.4 80.6 49.5 20.9 54 58 A E E -D 47 0B 48 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.693 15.5-175.4 -89.1 144.7 83.8 47.5 20.4 55 59 A V E -D 46 0B 16 -9,-2.0 -9,-2.3 -2,-0.3 2,-1.3 -0.985 29.2-129.3-139.5 138.7 84.0 44.4 18.2 56 60 A H E -D 45 0B 28 -2,-0.3 -11,-0.3 -11,-0.2 2,-0.1 -0.788 41.9-165.9 -88.4 90.4 87.0 42.1 17.6 57 61 A A E -D 44 0B 0 -13,-2.6 -13,-1.8 -2,-1.3 2,-0.5 -0.331 24.7-148.1 -79.1 161.2 86.9 42.2 13.8 58 62 A M E -D 43 0B 0 86,-1.8 2,-0.5 -15,-0.2 -15,-0.2 -0.950 34.7-176.7-128.1 99.2 88.7 39.9 11.4 59 63 A A E > -D 42 0B 0 -17,-3.2 -17,-2.5 -2,-0.5 3,-1.9 -0.919 31.2-133.1-118.7 127.0 89.4 42.2 8.5 60 64 A F E > S-D 41 0B 0 -2,-0.5 3,-2.1 3,-0.4 -19,-0.2 -0.474 100.8 -6.7 -67.9 127.7 90.9 41.7 5.1 61 65 A N T 3 S- 0 0 37 -21,-3.4 -1,-0.3 1,-0.3 -20,-0.1 0.743 126.6 -68.9 54.8 24.8 93.3 44.6 4.6 62 66 A G T < S+ 0 0 13 -3,-1.9 -1,-0.3 -22,-0.4 2,-0.2 0.478 109.6 108.6 76.7 3.7 92.1 46.1 7.8 63 67 A T < - 0 0 25 -3,-2.1 -3,-0.4 82,-0.0 -1,-0.2 -0.710 67.5-118.3-116.9 160.7 88.6 46.9 6.4 64 68 A V S S+ 0 0 12 -2,-0.2 2,-0.2 153,-0.2 111,-0.1 -0.961 107.3 28.0-133.2 108.7 85.0 45.7 6.8 65 69 A P S S- 0 0 2 0, 0.0 83,-0.3 0, 0.0 3,-0.1 0.661 104.1-122.8 -74.4 173.5 84.1 44.7 4.1 66 70 A G - 0 0 0 81,-2.6 83,-0.4 79,-0.2 -5,-0.1 -0.382 46.7 -72.1 -75.5 167.9 87.3 43.6 2.5 67 71 A P - 0 0 1 0, 0.0 82,-0.6 0, 0.0 2,-0.5 -0.089 44.4-109.4 -62.0 160.0 88.2 45.3 -0.8 68 72 A L E -e 149 0C 3 -48,-0.4 -46,-0.6 -52,-0.3 2,-0.5 -0.797 28.0-156.2 -92.4 127.2 86.6 44.6 -4.2 69 73 A M E -e 150 0C 0 80,-1.2 82,-2.9 -2,-0.5 2,-0.4 -0.879 8.5-159.1-103.4 136.4 88.8 42.8 -6.6 70 74 A V E +e 151 0C 5 -2,-0.5 2,-0.3 80,-0.2 82,-0.2 -0.952 22.6 148.3-123.3 130.9 87.9 43.3 -10.3 71 75 A V E -e 152 0C 3 80,-2.8 82,-2.8 -2,-0.4 2,-0.3 -0.832 39.0-107.2-143.6 177.7 88.9 41.0 -13.1 72 76 A H E > -e 153 0C 10 80,-0.3 3,-2.2 -2,-0.3 50,-0.2 -0.797 47.4 -78.5-112.7 157.2 87.4 39.9 -16.5 73 77 A Q T 3 S+ 0 0 43 80,-2.5 50,-0.2 -2,-0.3 3,-0.1 -0.333 117.5 15.4 -56.6 128.1 85.9 36.6 -17.5 74 78 A D T 3 S+ 0 0 57 48,-3.7 -1,-0.3 1,-0.4 49,-0.1 0.324 93.8 121.2 88.6 -3.6 88.6 34.0 -18.1 75 79 A D < - 0 0 2 -3,-2.2 47,-2.9 47,-0.4 2,-0.5 -0.382 65.8-118.6 -77.3 166.8 91.4 35.9 -16.4 76 80 A Y E -bC 34 121A 31 -43,-2.4 -41,-3.0 45,-0.2 2,-0.6 -0.930 17.6-146.4-109.5 133.2 93.1 34.0 -13.6 77 81 A L E -bC 35 120A 1 43,-2.5 43,-1.5 -2,-0.5 2,-0.6 -0.912 14.3-169.5-101.5 118.2 92.9 35.7 -10.1 78 82 A E E -bC 36 119A 34 -43,-3.1 -41,-2.5 -2,-0.6 2,-0.4 -0.965 7.3-171.5-111.0 116.3 96.1 35.0 -8.2 79 83 A L E -bC 37 118A 3 39,-2.7 39,-2.1 -2,-0.6 2,-0.6 -0.912 16.5-156.3-114.5 134.3 95.8 36.0 -4.5 80 84 A T E -bC 38 117A 26 -43,-2.5 -41,-2.6 -2,-0.4 2,-0.5 -0.954 18.6-167.5-107.0 116.0 98.6 36.1 -2.0 81 85 A L E -bC 39 116A 1 35,-2.1 35,-1.7 -2,-0.6 2,-0.4 -0.933 2.3-167.2-110.7 133.7 97.0 35.8 1.5 82 86 A I E -bC 40 115A 55 -43,-2.1 -41,-2.0 -2,-0.5 33,-0.2 -0.959 13.0-159.7-123.6 134.4 99.0 36.5 4.6 83 87 A N E - C 0 114A 1 31,-3.0 30,-3.5 -2,-0.4 31,-0.8 -0.885 29.4-128.7-115.4 99.0 98.1 35.7 8.2 84 88 A P > - 0 0 30 0, 0.0 3,-1.9 0, 0.0 30,-0.1 -0.056 12.6-124.2 -43.2 142.8 100.2 38.0 10.5 85 89 A E T 3 S+ 0 0 173 27,-0.3 -2,-0.0 1,-0.3 26,-0.0 0.549 110.2 64.7 -69.8 -8.4 102.1 36.2 13.3 86 90 A T T 3 S+ 0 0 126 2,-0.0 -1,-0.3 -43,-0.0 2,-0.0 0.507 83.8 96.0 -89.2 -11.2 100.4 38.6 15.8 87 91 A N < - 0 0 14 -3,-1.9 -4,-0.0 1,-0.1 -45,-0.0 -0.314 65.4-149.9 -74.7 163.7 97.0 37.0 14.9 88 92 A T + 0 0 87 2,-0.1 2,-0.3 23,-0.1 -1,-0.1 0.551 67.4 60.2-113.9 -6.4 95.6 34.3 17.1 89 93 A L S S- 0 0 28 22,-0.1 2,-0.3 21,-0.0 -2,-0.1 -0.758 76.2-114.4-125.3 162.6 93.6 32.2 14.6 90 94 A M - 0 0 50 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.649 38.5-175.4 -88.2 148.9 93.9 30.2 11.5 91 95 A H B +I 110 0D 0 19,-2.0 19,-2.5 -2,-0.3 2,-0.2 -0.945 11.5 174.5-143.1 159.3 92.1 31.7 8.5 92 96 A N - 0 0 2 -2,-0.3 2,-0.3 17,-0.2 13,-0.1 -0.769 26.1-113.1-147.3-170.0 91.5 30.7 4.9 93 97 A I - 0 0 0 -2,-0.2 2,-0.5 11,-0.2 39,-0.2 -0.995 13.7-165.2-143.5 139.4 89.4 32.1 2.0 94 98 A D E -F 131 0C 32 37,-2.5 37,-1.6 -2,-0.3 2,-0.6 -0.973 9.5-164.0-123.8 109.3 86.3 30.9 0.0 95 99 A F E > -F 130 0C 1 8,-2.6 3,-1.7 -2,-0.5 35,-0.2 -0.877 12.6-155.6 -94.3 120.1 85.6 32.7 -3.3 96 100 A H T 3 S+ 0 0 71 33,-2.9 -1,-0.1 -2,-0.6 34,-0.1 0.672 96.3 63.5 -67.8 -11.6 82.1 32.1 -4.5 97 101 A A T 3 S+ 0 0 5 32,-0.3 27,-0.4 6,-0.1 26,-0.4 0.687 91.3 85.5 -83.2 -18.4 83.6 32.8 -7.9 98 102 A A < - 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