==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-JUL-05 2BW4 . COMPND 2 MOLECULE: COPPER-CONTAINING NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER CYCLOCLASTES; . AUTHOR S.V.ANTONYUK,R.W.STRANGE,G.SAWERS,R.R.EADY,S.S.HASNAIN . 334 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 22.5 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 . 3 0.9 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 . 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 . 42 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 6.3 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 1 1 0 0 0 0 0 0 1 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 3 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 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 7 A V 0 0 150 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 144.2 27.0 37.0 38.4 2 8 A D > - 0 0 96 1,-0.2 3,-2.0 2,-0.0 4,-0.2 -0.733 360.0-163.0 -85.9 102.7 27.3 36.1 42.1 3 9 A I G > S+ 0 0 35 -2,-1.2 3,-1.9 1,-0.3 -1,-0.2 0.804 83.0 71.4 -58.3 -27.7 28.0 39.6 43.3 4 10 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.714 89.1 63.1 -65.8 -13.1 29.3 38.1 46.6 5 11 A T G < S+ 0 0 100 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.527 88.0 93.4 -83.3 -10.0 32.4 36.9 44.6 6 12 A L S < S- 0 0 39 -3,-1.9 25,-0.1 -4,-0.2 2,-0.0 -0.538 86.1 -97.4 -86.4 153.3 33.4 40.5 43.8 7 13 A P - 0 0 69 0, 0.0 25,-2.8 0, 0.0 2,-0.4 -0.367 33.2-144.8 -59.1 147.0 35.8 42.6 45.8 8 14 A R E -a 32 0A 108 23,-0.2 2,-0.4 -4,-0.1 25,-0.2 -0.946 15.9-175.0-111.0 137.9 34.3 45.1 48.3 9 15 A V E -a 33 0A 43 23,-2.3 25,-2.9 -2,-0.4 2,-0.5 -0.998 16.0-143.0-132.1 131.1 36.0 48.5 48.8 10 16 A K E -a 34 0A 138 -2,-0.4 2,-0.4 23,-0.2 25,-0.2 -0.793 13.6-150.6 -96.5 127.4 34.7 50.9 51.5 11 17 A V - 0 0 20 23,-2.9 2,-0.6 -2,-0.5 25,-0.3 -0.793 3.5-151.7 -96.5 137.4 34.8 54.6 50.6 12 18 A D - 0 0 124 -2,-0.4 9,-0.3 9,-0.1 23,-0.1 -0.952 24.9-141.2-107.2 108.9 35.3 57.3 53.2 13 19 A L - 0 0 32 -2,-0.6 2,-0.3 23,-0.3 54,-0.1 -0.220 10.9-150.9 -70.1 159.2 33.6 60.4 51.9 14 20 A V - 0 0 57 52,-0.3 52,-0.3 4,-0.2 6,-0.2 -0.868 27.5 -93.7-127.5 163.1 34.8 64.0 52.3 15 21 A K > - 0 0 141 -2,-0.3 3,-1.5 50,-0.1 49,-0.1 -0.559 61.9 -73.3 -78.3 134.8 33.0 67.3 52.5 16 22 A P T 3 S+ 0 0 2 0, 0.0 3,-0.1 0, 0.0 156,-0.1 -0.241 112.6 39.2 -57.8 150.7 32.6 69.3 49.2 17 23 A P T 3 S+ 0 0 10 0, 0.0 154,-2.3 0, 0.0 2,-0.1 -0.983 111.5 71.5 -87.5 3.0 34.2 70.9 47.3 18 24 A F S < S- 0 0 118 -3,-1.5 48,-0.4 152,-0.2 2,-0.4 -0.335 72.9-143.1 -74.1 165.5 36.8 68.2 48.0 19 25 A V - 0 0 25 150,-0.3 3,-0.1 -3,-0.1 150,-0.1 -0.993 17.1-108.2-136.7 136.1 36.4 64.7 46.6 20 26 A H - 0 0 8 46,-0.6 -7,-0.1 -2,-0.4 2,-0.1 -0.065 51.3 -76.1 -61.7 163.8 37.3 61.3 48.1 21 27 A A + 0 0 95 -9,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.343 62.9 145.7 -68.9 140.9 40.2 59.2 46.8 22 28 A H - 0 0 49 -3,-0.1 2,-0.5 -2,-0.1 3,-0.1 -0.934 44.6-115.7-158.8 171.2 39.8 57.3 43.5 23 29 A D - 0 0 70 -2,-0.3 132,-0.1 1,-0.2 4,-0.1 -0.985 15.6-144.5-119.2 130.7 41.9 56.2 40.6 24 30 A Q S S+ 0 0 38 -2,-0.5 131,-0.6 142,-0.1 2,-0.5 0.958 93.9 46.0 -57.4 -52.5 41.0 57.7 37.2 25 31 A V B S-D 154 0B 73 129,-0.2 2,-0.2 -3,-0.1 129,-0.2 -0.796 106.1-107.3 -92.4 129.3 41.9 54.5 35.4 26 32 A A - 0 0 18 127,-2.8 -2,-0.1 -2,-0.5 -1,-0.0 -0.407 28.3-168.5 -64.6 125.7 40.5 51.4 37.2 27 33 A K S S+ 0 0 162 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.405 71.5 33.6 -93.3 -2.0 43.2 49.4 38.9 28 34 A T S S- 0 0 54 1,-0.2 3,-0.1 -21,-0.0 -2,-0.0 -0.808 92.1 -91.2-136.0 176.0 41.0 46.4 39.6 29 35 A G S S- 0 0 37 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 -0.108 76.8 -46.8 -72.3-178.8 38.1 44.6 38.0 30 36 A P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.334 69.3-170.9 -53.4 145.1 34.5 45.7 38.8 31 37 A R - 0 0 56 -25,-0.1 43,-2.6 39,-0.1 2,-0.7 -0.886 33.0-112.7-133.2 159.4 33.9 46.1 42.6 32 38 A V E -ab 8 74A 0 -25,-2.8 -23,-2.3 -2,-0.3 2,-0.6 -0.905 38.0-155.0 -89.7 114.1 31.1 46.6 45.0 33 39 A V E -ab 9 75A 3 41,-3.3 43,-2.8 -2,-0.7 2,-0.5 -0.864 7.1-148.0 -99.5 117.8 31.9 50.1 46.3 34 40 A E E +ab 10 76A 53 -25,-2.9 -23,-2.9 -2,-0.6 2,-0.3 -0.770 20.1 174.9 -98.7 122.9 30.4 50.7 49.7 35 41 A F E - b 0 77A 2 41,-2.7 43,-2.7 -2,-0.5 2,-0.4 -0.923 12.4-163.5-121.1 150.7 29.2 54.1 50.8 36 42 A T E + b 0 78A 52 -2,-0.3 2,-0.4 -25,-0.3 -23,-0.3 -0.999 9.5 178.7-129.6 133.4 27.5 55.2 54.0 37 43 A M E - b 0 79A 0 41,-2.4 43,-2.5 -2,-0.4 2,-0.5 -0.998 15.1-152.9-133.9 143.7 25.6 58.5 54.4 38 44 A T E - b 0 80A 52 -2,-0.4 21,-2.1 41,-0.2 22,-0.3 -0.952 20.7-130.4-113.2 122.1 23.8 59.9 57.5 39 45 A I E -E 58 0C 2 41,-3.0 2,-0.4 -2,-0.5 19,-0.2 -0.499 25.3-169.9 -69.8 137.6 20.9 62.3 56.8 40 46 A E E -E 57 0C 78 17,-2.4 17,-1.8 -2,-0.2 2,-0.5 -0.940 15.6-161.0-135.1 118.0 21.1 65.5 58.9 41 47 A E E +E 56 0C 42 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.805 37.1 152.3 -84.7 128.2 18.3 68.1 59.2 42 48 A K E -E 55 0C 60 13,-2.0 13,-2.8 -2,-0.5 2,-0.3 -0.994 48.3 -98.9-156.7 155.3 20.1 71.2 60.6 43 49 A K E -E 54 0C 119 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.622 38.9-171.7 -74.6 140.6 20.0 75.0 60.6 44 50 A L E -E 53 0C 38 9,-2.3 9,-2.7 -2,-0.3 2,-0.6 -0.999 23.2-139.0-136.1 135.9 22.3 76.7 58.2 45 51 A V E +E 52 0C 77 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.826 25.8 179.0 -90.8 122.4 23.1 80.4 57.8 46 52 A I + 0 0 0 5,-2.5 173,-2.7 -2,-0.6 2,-0.3 0.500 50.7 32.9-110.5 -6.8 23.2 81.0 54.1 47 53 A D S > S- 0 0 14 4,-0.5 3,-1.2 171,-0.2 262,-0.0 -0.873 82.0 -99.6-146.7 174.6 24.0 84.7 53.5 48 54 A R T 3 S+ 0 0 184 -2,-0.3 -1,-0.0 1,-0.3 -3,-0.0 0.729 116.1 63.0 -69.3 -23.6 25.9 87.7 54.9 49 55 A E T 3 S- 0 0 156 2,-0.0 -1,-0.3 1,-0.0 -4,-0.0 0.602 116.8-109.8 -76.3 -13.1 22.7 89.0 56.5 50 56 A G < + 0 0 40 -3,-1.2 -2,-0.1 1,-0.2 2,-0.1 0.587 52.4 171.9 91.4 13.1 22.5 85.9 58.8 51 57 A T - 0 0 21 -6,-0.1 -5,-2.5 1,-0.1 -4,-0.5 -0.382 16.5-158.0 -60.2 127.1 19.4 84.4 57.2 52 58 A E E -E 45 0C 110 -7,-0.2 2,-0.3 -6,-0.1 -7,-0.2 -0.937 12.2-178.2-115.7 129.3 19.0 80.9 58.8 53 59 A I E -E 44 0C 20 -9,-2.7 -9,-2.3 -2,-0.5 2,-0.9 -0.770 35.3-110.1-117.4 166.5 17.1 78.1 57.1 54 60 A H E -E 43 0C 117 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.2 -0.867 45.0-164.0 -95.5 100.4 16.2 74.5 58.0 55 61 A A E -E 42 0C 1 -13,-2.8 -13,-2.0 -2,-0.9 2,-0.5 -0.560 16.3-146.2 -88.6 155.5 18.3 72.6 55.6 56 62 A M E -E 41 0C 8 86,-2.3 2,-0.3 83,-0.2 -15,-0.2 -0.989 32.3-179.1-122.2 115.3 17.9 68.9 54.7 57 63 A T E -E 40 0C 0 -17,-1.8 -17,-2.4 -2,-0.5 2,-0.6 -0.876 37.1-136.2-126.9 150.9 21.3 67.3 54.1 58 64 A F E > S-EF 39 61C 0 3,-0.7 3,-1.2 85,-0.4 -19,-0.2 -0.924 100.9 -9.7 -91.1 118.0 23.1 64.1 53.1 59 65 A N T 3 S- 0 0 67 -21,-2.1 -20,-0.2 -2,-0.6 -1,-0.2 0.621 122.3 -67.5 69.2 16.9 26.1 63.9 55.5 60 66 A G T 3 S+ 0 0 12 -22,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.412 107.7 96.5 93.4 -1.7 25.8 67.3 56.9 61 67 A S B < S-F 58 0C 8 -3,-1.2 -3,-0.7 82,-0.1 -1,-0.2 -0.872 71.7-112.6-125.6 155.7 26.6 69.4 53.9 62 68 A V S S+ 0 0 7 -2,-0.3 2,-0.1 154,-0.2 84,-0.1 -0.995 109.9 30.3-119.2 117.3 25.0 71.2 51.0 63 69 A P S S- 0 0 2 0, 0.0 83,-0.3 0, 0.0 3,-0.1 0.654 103.6-121.9 -69.5 170.0 25.6 69.7 48.5 64 70 A G - 0 0 0 81,-2.7 83,-0.2 79,-0.2 -5,-0.1 -0.255 48.6 -71.7 -62.8 162.5 26.0 66.2 49.7 65 71 A P - 0 0 2 0, 0.0 82,-0.7 0, 0.0 2,-0.5 -0.172 45.4-109.3 -60.3 154.4 29.4 64.6 49.0 66 72 A L E -g 147 0D 2 -48,-0.4 -46,-0.6 -52,-0.3 2,-0.4 -0.730 30.9-155.3 -80.2 125.4 30.6 63.5 45.6 67 73 A M E -g 148 0D 0 80,-1.8 82,-3.4 -2,-0.5 2,-0.4 -0.837 8.0-159.7 -97.9 141.4 30.7 59.7 45.3 68 74 A V E +g 149 0D 7 -2,-0.4 2,-0.2 80,-0.2 82,-0.2 -0.989 23.1 144.7-130.8 126.8 33.1 58.2 42.7 69 75 A V E -g 150 0D 2 80,-2.6 82,-3.0 -2,-0.4 2,-0.3 -0.786 41.3-106.0-136.0-178.6 33.0 54.8 41.1 70 76 A H E > -g 151 0D 7 80,-0.3 3,-2.4 -2,-0.2 50,-0.2 -0.833 48.7 -77.5-110.5 159.7 33.8 53.2 37.7 71 77 A E T 3 S+ 0 0 32 80,-2.7 50,-0.2 -2,-0.3 3,-0.1 -0.261 117.9 15.8 -53.9 131.9 31.5 52.0 35.0 72 78 A N T 3 S+ 0 0 59 48,-2.8 -1,-0.3 1,-0.4 49,-0.1 0.416 93.4 125.3 70.5 10.3 30.0 48.6 35.9 73 79 A D < - 0 0 2 -3,-2.4 47,-2.9 47,-0.3 2,-0.4 -0.449 64.5-118.4 -68.2 164.6 31.0 48.8 39.5 74 80 A Y E -bC 32 119A 26 -43,-2.6 -41,-3.3 45,-0.2 2,-0.6 -0.919 17.8-145.2-103.9 134.6 28.1 48.3 41.9 75 81 A V E -bC 33 118A 1 43,-3.0 43,-2.2 -2,-0.4 2,-0.6 -0.902 15.3-172.2 -96.3 121.7 27.3 51.2 44.3 76 82 A E E -bC 34 117A 32 -43,-2.8 -41,-2.7 -2,-0.6 2,-0.5 -0.949 7.2-173.1-118.8 107.9 26.1 49.9 47.7 77 83 A L E -bC 35 116A 2 39,-2.6 39,-2.4 -2,-0.6 2,-0.6 -0.901 17.9-158.2-107.7 124.0 24.8 52.7 49.9 78 84 A R E -bC 36 115A 99 -43,-2.7 -41,-2.4 -2,-0.5 2,-0.5 -0.896 18.2-164.0 -91.5 120.3 23.8 52.4 53.5 79 85 A L E -bC 37 114A 1 35,-3.0 35,-1.9 -2,-0.6 2,-0.5 -0.950 2.9-165.0-113.0 121.4 21.5 55.4 54.1 80 86 A I E -bC 38 113A 28 -43,-2.5 -41,-3.0 -2,-0.5 33,-0.2 -0.922 13.0-171.7-113.3 128.9 20.8 56.2 57.8 81 87 A N E - 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