==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-OCT-04 1WA0 . COMPND 2 MOLECULE: DISSIMILATORY COPPER-CONTAINING NITRITE . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES XYLOSOXIDANS; . AUTHOR M.L.BARRETT,R.L.HARRIS,S.V.ANTONYUK,R.W.STRANGE,M.A.HOUGH, . 335 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 21.8 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 . 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 . 37 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 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 . 6 1 3 1 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 . 1 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 2 X D > 0 0 147 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 127.2 78.0 34.6 -20.1 2 3 X A G > + 0 0 3 1,-0.3 3,-1.0 2,-0.2 29,-0.1 0.747 360.0 66.9 -67.8 -28.5 77.1 37.0 -17.3 3 4 X D G 3 S+ 0 0 122 1,-0.2 -1,-0.3 0, 0.0 28,-0.0 0.773 102.1 48.8 -63.2 -26.5 80.6 38.4 -16.9 4 5 X K G < S+ 0 0 86 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.504 91.4 102.6 -91.6 -7.2 80.2 40.0 -20.4 5 6 X L S < S- 0 0 44 -3,-1.0 25,-0.1 -4,-0.3 2,-0.1 -0.410 79.3-100.1 -80.1 154.9 76.8 41.7 -19.8 6 7 X P - 0 0 75 0, 0.0 25,-2.2 0, 0.0 2,-0.3 -0.446 37.9-137.5 -63.1 143.1 76.1 45.3 -19.0 7 8 X H E -a 31 0A 92 23,-0.2 2,-0.3 -2,-0.1 25,-0.2 -0.790 18.2-171.0-102.7 147.0 75.4 46.1 -15.3 8 9 X T E -a 32 0A 61 23,-2.3 25,-3.0 -2,-0.3 2,-0.5 -0.935 14.4-138.7-131.6 157.3 72.7 48.3 -14.0 9 10 X K E -a 33 0A 119 -2,-0.3 2,-0.4 23,-0.2 25,-0.2 -0.982 14.2-159.1-120.6 128.0 72.1 49.6 -10.4 10 11 X V - 0 0 34 23,-2.4 2,-0.6 -2,-0.5 25,-0.3 -0.906 10.2-143.7-109.3 135.2 68.6 49.8 -8.9 11 12 X T - 0 0 120 -2,-0.4 2,-0.1 23,-0.1 23,-0.1 -0.864 25.4-136.6 -93.3 120.3 67.6 52.0 -6.0 12 13 X L - 0 0 29 -2,-0.6 2,-0.3 23,-0.2 54,-0.1 -0.385 13.7-151.4 -78.0 153.6 65.1 50.2 -3.8 13 14 X V - 0 0 51 52,-0.3 52,-0.4 4,-0.1 6,-0.2 -0.912 23.4 -98.6-124.0 156.9 62.0 51.8 -2.4 14 15 X A > - 0 0 67 -2,-0.3 3,-1.3 50,-0.1 49,-0.1 -0.428 56.9 -72.7 -73.1 136.8 60.0 51.1 0.7 15 16 X P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.286 111.2 42.7 -52.0 152.3 56.8 49.0 0.6 16 17 X P T 3 S+ 0 0 25 0, 0.0 154,-2.0 0, 0.0 2,-0.1 -0.992 112.5 67.3 -85.3 5.5 54.0 49.3 -0.4 17 18 X Q S < S- 0 0 98 -3,-1.3 48,-0.4 152,-0.2 2,-0.4 -0.347 71.0-144.6 -75.9 165.1 55.6 51.0 -3.4 18 19 X V - 0 0 19 150,-0.4 150,-0.2 -3,-0.1 3,-0.1 -0.988 29.1 -98.9-129.1 139.5 57.7 49.1 -5.9 19 20 X H - 0 0 6 46,-0.6 -7,-0.1 -2,-0.4 -9,-0.0 -0.174 51.8 -83.9 -60.2 147.1 60.8 50.7 -7.6 20 21 X P + 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.202 64.6 151.4 -47.8 137.0 60.3 52.1 -11.1 21 22 X H - 0 0 52 -3,-0.1 2,-0.3 47,-0.0 47,-0.1 -0.972 42.4-108.9-161.8 161.2 60.7 49.4 -13.8 22 23 X E - 0 0 110 -2,-0.3 3,-0.1 1,-0.2 128,-0.1 -0.717 16.7-157.9 -88.9 150.5 59.6 48.6 -17.3 23 24 X Q S S+ 0 0 41 1,-0.4 131,-0.3 -2,-0.3 -1,-0.2 0.649 83.5 21.8 -85.6-106.0 57.2 45.7 -18.0 24 25 X A S S- 0 0 51 129,-0.3 -1,-0.4 131,-0.1 2,-0.3 -0.387 87.3-174.9 -59.3 137.5 57.7 44.7 -21.7 25 26 X T - 0 0 21 127,-2.5 -1,-0.0 -3,-0.1 129,-0.0 -0.967 40.1-150.7-138.2 151.0 61.2 45.9 -22.7 26 27 X K S S+ 0 0 166 -2,-0.3 -1,-0.1 2,-0.1 127,-0.1 0.487 70.3 112.3 -93.5 -5.1 63.4 46.0 -25.8 27 28 X S - 0 0 40 125,-0.1 -2,-0.1 1,-0.1 3,-0.1 -0.297 63.8-132.1 -68.4 146.9 66.4 45.7 -23.5 28 29 X G - 0 0 35 1,-0.2 -1,-0.1 43,-0.0 -2,-0.1 -0.379 47.5 -56.9 -87.2 175.2 68.6 42.7 -23.5 29 30 X P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.125 59.2-179.2 -53.0 146.7 69.8 40.8 -20.4 30 31 X K - 0 0 58 39,-0.2 43,-2.5 -25,-0.1 2,-0.8 -0.943 36.9-112.8-139.6 160.2 71.7 42.7 -17.7 31 32 X V E -ab 7 73A 0 -25,-2.2 -23,-2.3 -2,-0.3 2,-0.6 -0.924 39.7-155.6 -90.3 111.6 73.4 42.0 -14.3 32 33 X V E -ab 8 74A 7 41,-3.1 43,-2.8 -2,-0.8 2,-0.4 -0.841 5.1-149.4 -97.4 122.1 71.1 44.1 -12.1 33 34 X E E +ab 9 75A 60 -25,-3.0 -23,-2.4 -2,-0.6 2,-0.3 -0.778 20.7 169.6-101.2 130.0 72.7 45.2 -8.9 34 35 X F E - b 0 76A 2 41,-2.5 43,-2.5 -2,-0.4 2,-0.4 -0.927 15.8-156.8-128.8 157.9 70.9 45.7 -5.6 35 36 X T E - b 0 77A 74 -25,-0.3 2,-0.3 -2,-0.3 -23,-0.2 -0.998 9.5-179.3-133.8 140.8 71.9 46.3 -2.0 36 37 X M E - b 0 78A 1 41,-2.1 43,-2.6 -2,-0.4 2,-0.5 -0.997 12.6-153.1-135.7 144.4 70.0 45.6 1.2 37 38 X T E - b 0 79A 56 -2,-0.3 21,-1.7 41,-0.2 22,-0.3 -0.974 19.1-129.1-119.3 124.6 71.0 46.2 4.8 38 39 X I E -D 57 0B 2 41,-2.7 2,-0.4 -2,-0.5 19,-0.2 -0.449 23.2-171.7 -71.7 136.0 69.6 44.1 7.7 39 40 X E E -D 56 0B 82 17,-2.2 17,-1.4 -2,-0.2 2,-0.4 -0.935 9.9-162.0-133.3 115.4 68.1 45.9 10.7 40 41 X E E +D 55 0B 30 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.779 31.7 148.3 -83.7 133.9 67.0 44.2 13.9 41 42 X K E -D 54 0B 59 13,-1.6 13,-2.0 -2,-0.4 2,-0.3 -0.981 50.9-104.6-163.2 154.3 64.6 46.4 15.9 42 43 X K E -D 53 0B 87 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.654 42.7-169.7 -78.6 134.4 61.7 46.4 18.3 43 44 X M E -D 52 0B 42 9,-2.7 9,-2.7 -2,-0.3 2,-0.6 -0.972 25.5-125.6-129.9 144.2 58.5 47.4 16.5 44 45 X V E +D 51 0B 74 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.810 29.1 179.4 -87.6 123.7 55.0 48.3 17.7 45 46 X I + 0 0 0 5,-2.5 172,-2.8 -2,-0.6 2,-0.3 0.457 53.5 32.3-112.3 -3.5 52.6 46.0 15.8 46 47 X D S > S- 0 0 7 4,-0.7 3,-1.0 170,-0.2 164,-0.0 -0.870 83.1 -98.1-146.7-178.1 49.1 46.9 17.1 47 48 X D T 3 S+ 0 0 136 -2,-0.3 -3,-0.0 1,-0.2 169,-0.0 0.576 115.5 57.6 -81.7 -13.2 47.0 49.8 18.4 48 49 X K T 3 S- 0 0 148 2,-0.0 -1,-0.2 0, 0.0 -4,-0.0 0.291 119.5 -99.9-102.1 9.9 47.5 48.8 22.1 49 50 X G < + 0 0 45 -3,-1.0 2,-0.1 1,-0.3 -2,-0.1 0.593 60.9 162.7 89.0 11.8 51.3 49.1 22.1 50 51 X T - 0 0 12 -6,-0.1 -5,-2.5 1,-0.0 -4,-0.7 -0.448 25.4-147.9 -62.4 135.6 52.3 45.4 21.7 51 52 X T E -D 44 0B 22 -7,-0.2 2,-0.4 136,-0.2 -7,-0.2 -0.800 10.6-156.0-107.9 153.0 55.9 45.1 20.5 52 53 X L E -D 43 0B 14 -9,-2.7 -9,-2.7 -2,-0.3 2,-1.2 -0.989 22.0-131.4-119.5 133.9 57.7 42.6 18.4 53 54 X Q E -D 42 0B 22 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.757 50.9-171.4 -80.1 96.1 61.4 41.9 18.5 54 55 X A E -D 41 0B 0 -13,-2.0 -13,-1.6 -2,-1.2 2,-0.4 -0.432 29.4-157.3-101.4 163.1 61.7 42.1 14.8 55 56 X M E +D 40 0B 0 86,-2.0 2,-0.3 -15,-0.2 -15,-0.2 -0.994 23.0 178.6-140.0 134.2 64.2 41.5 12.1 56 57 X T E -D 39 0B 0 -17,-1.4 -17,-2.2 -2,-0.4 2,-0.6 -0.934 35.3-126.2-138.2 152.2 64.1 43.2 8.6 57 58 X F E > S-DE 38 60B 0 3,-0.6 3,-1.4 85,-0.4 -19,-0.2 -0.909 104.0 -8.0 -86.5 126.2 65.7 43.6 5.3 58 59 X N T 3 S- 0 0 68 -21,-1.7 -20,-0.2 -2,-0.6 -1,-0.2 0.669 122.0 -69.6 59.9 22.1 66.1 47.4 4.8 59 60 X G T 3 S+ 0 0 17 -22,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.444 108.5 96.3 83.1 0.0 64.1 48.4 7.9 60 61 X S B < S-E 57 0B 24 -3,-1.4 -3,-0.6 82,-0.0 -1,-0.2 -0.889 73.0-109.9-123.4 153.2 60.7 47.3 6.6 61 62 X M S S+ 0 0 6 -2,-0.3 2,-0.2 153,-0.2 111,-0.1 -0.997 109.8 28.1-112.3 120.4 58.2 44.4 6.8 62 63 X P S S- 0 0 0 0, 0.0 83,-0.3 0, 0.0 3,-0.1 0.765 103.5-119.4 -72.4 175.5 58.2 43.1 4.1 63 64 X G - 0 0 0 81,-2.6 83,-0.4 79,-0.2 -5,-0.1 -0.153 50.3 -74.9 -58.6 165.9 61.6 43.8 2.6 64 65 X P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.300 48.4-107.6 -66.6 153.4 61.5 45.9 -0.5 65 66 X T - 0 0 2 -48,-0.4 -46,-0.6 -52,-0.4 2,-0.4 -0.742 28.5-152.0 -82.5 128.8 60.4 44.3 -3.8 66 67 X L E -f 147 0C 0 80,-2.0 82,-3.1 -2,-0.5 2,-0.5 -0.867 11.9-160.2 -99.3 129.2 63.3 43.7 -6.3 67 68 X V E +f 148 0C 7 -2,-0.4 2,-0.2 80,-0.2 82,-0.2 -0.952 22.8 145.9-120.1 126.7 62.2 43.7 -10.0 68 69 X V E -f 149 0C 2 80,-2.3 82,-2.6 -2,-0.5 2,-0.3 -0.756 40.8-105.6-135.2-177.0 64.2 42.3 -12.9 69 70 X H E > -f 150 0C 17 80,-0.2 3,-2.5 -2,-0.2 50,-0.2 -0.874 43.8 -86.1-114.7 152.4 63.3 40.5 -16.2 70 71 X E T 3 S+ 0 0 79 80,-2.5 50,-0.2 -2,-0.3 3,-0.1 -0.334 118.6 29.9 -53.3 133.5 63.6 36.9 -17.2 71 72 X G T 3 S+ 0 0 18 48,-2.1 -1,-0.3 1,-0.4 49,-0.2 0.123 96.2 115.6 93.3 -19.1 67.2 36.2 -18.4 72 73 X D < - 0 0 8 -3,-2.5 47,-2.7 47,-0.5 2,-0.4 -0.299 63.7-127.8 -69.8 165.7 68.7 39.0 -16.1 73 74 X Y E -bC 31 118A 32 -43,-2.5 -41,-3.1 45,-0.3 2,-0.5 -0.970 13.8-141.6-114.9 132.7 71.1 38.2 -13.3 74 75 X V E -bC 32 117A 0 43,-2.7 43,-2.2 -2,-0.4 2,-0.5 -0.853 15.4-170.7 -92.8 128.2 70.3 39.5 -9.8 75 76 X Q E -bC 33 116A 42 -43,-2.8 -41,-2.5 -2,-0.5 2,-0.5 -0.920 10.0-175.5-122.6 101.6 73.5 40.6 -8.0 76 77 X L E -bC 34 115A 2 39,-2.4 39,-2.7 -2,-0.5 2,-0.6 -0.858 19.2-158.2-103.6 128.2 72.7 41.4 -4.3 77 78 X T E -bC 35 114A 26 -43,-2.5 -41,-2.1 -2,-0.5 2,-0.5 -0.928 16.7-160.9 -95.7 118.5 75.1 42.8 -1.7 78 79 X L E -bC 36 113A 1 35,-2.9 35,-1.7 -2,-0.6 2,-0.5 -0.913 4.9-164.1-102.4 123.2 73.7 41.8 1.7 79 80 X V E -bC 37 112A 28 -43,-2.6 -41,-2.7 -2,-0.5 33,-0.2 -0.900 12.8-172.2-112.1 128.6 75.0 43.9 4.6 80 81 X N E - 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