==== 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 REDUCTASE 22-OCT-04 1WA1 . 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, . 334 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 65.6 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 . 74 22.2 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 11.1 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 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 . 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 0 141 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 120.8 35.7 59.2 20.0 2 3 X A G > + 0 0 4 1,-0.3 3,-0.9 2,-0.2 29,-0.1 0.710 360.0 67.8 -66.2 -26.2 38.3 59.5 17.2 3 4 X D G 3 S+ 0 0 113 1,-0.2 -1,-0.3 28,-0.0 28,-0.1 0.826 101.1 49.0 -64.0 -31.3 37.9 63.3 16.8 4 5 X K G < S+ 0 0 83 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.500 91.4 102.7 -86.6 -6.6 39.4 63.9 20.2 5 6 X L S < S- 0 0 47 -3,-0.9 25,-0.1 -4,-0.3 2,-0.1 -0.400 79.9 -97.1 -80.4 157.2 42.5 61.6 19.7 6 7 X P - 0 0 77 0, 0.0 25,-2.4 0, 0.0 2,-0.3 -0.442 37.7-136.6 -62.8 143.1 46.1 62.8 19.0 7 8 X H E -a 31 0A 93 23,-0.2 2,-0.3 -2,-0.1 25,-0.2 -0.779 18.4-171.9-100.0 142.7 47.1 62.7 15.3 8 9 X T E -a 32 0A 52 23,-2.4 25,-2.9 -2,-0.3 2,-0.4 -0.936 14.8-140.3-124.8 159.3 50.4 61.4 13.9 9 10 X K E -a 33 0A 127 -2,-0.3 2,-0.4 23,-0.2 25,-0.2 -0.983 14.7-158.8-120.5 128.2 51.8 61.6 10.4 10 11 X V - 0 0 36 23,-2.3 2,-0.6 -2,-0.4 25,-0.3 -0.914 9.1-145.3-111.4 134.5 53.7 58.6 8.9 11 12 X T - 0 0 122 -2,-0.4 2,-0.1 23,-0.1 23,-0.1 -0.869 24.5-138.1 -95.9 120.1 56.1 58.8 6.0 12 13 X L - 0 0 27 -2,-0.6 2,-0.3 23,-0.2 54,-0.1 -0.354 12.3-151.6 -79.3 154.9 55.9 55.7 3.9 13 14 X V - 0 0 52 52,-0.3 52,-0.4 4,-0.1 6,-0.2 -0.921 24.4 -98.1-124.2 155.0 58.8 53.9 2.4 14 15 X A > - 0 0 68 -2,-0.3 3,-1.3 50,-0.1 49,-0.1 -0.415 57.4 -73.7 -66.0 135.5 59.2 51.7 -0.8 15 16 X P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.311 111.3 44.2 -53.7 151.9 59.0 47.9 -0.5 16 17 X P T 3 S+ 0 0 27 0, 0.0 154,-2.1 0, 0.0 2,-0.1 -0.994 112.0 67.2 -84.1 3.4 60.6 45.7 0.4 17 18 X Q S < S- 0 0 89 -3,-1.3 48,-0.4 152,-0.2 2,-0.4 -0.361 71.4-143.5 -75.6 164.0 61.3 47.9 3.4 18 19 X V - 0 0 20 150,-0.5 150,-0.2 -3,-0.1 3,-0.1 -0.980 29.2 -98.4-126.7 139.5 58.6 48.8 5.9 19 20 X H - 0 0 6 46,-0.6 -7,-0.1 -2,-0.4 -9,-0.0 -0.175 52.4 -85.0 -59.3 145.5 58.4 52.3 7.6 20 21 X P + 0 0 116 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.232 64.8 152.4 -48.2 136.3 59.9 52.6 11.1 21 22 X H - 0 0 58 -3,-0.1 2,-0.3 47,-0.0 47,-0.1 -0.976 41.9-108.3-160.6 162.2 57.4 51.6 13.8 22 23 X E - 0 0 111 -2,-0.3 3,-0.1 1,-0.2 128,-0.1 -0.709 16.6-158.9 -89.2 149.0 57.2 50.2 17.3 23 24 X Q S S+ 0 0 41 1,-0.4 131,-0.4 -2,-0.3 -1,-0.2 0.676 82.4 22.2 -86.8-102.2 56.0 46.7 18.1 24 25 X A S S- 0 0 50 129,-0.3 -1,-0.4 131,-0.1 2,-0.3 -0.368 86.5-172.8 -61.1 141.8 54.8 46.7 21.7 25 26 X T - 0 0 20 127,-2.6 129,-0.0 -3,-0.1 -1,-0.0 -0.995 39.8-152.6-142.0 146.8 54.0 50.2 22.7 26 27 X K S S+ 0 0 169 -2,-0.3 -1,-0.1 2,-0.0 127,-0.1 0.461 70.8 111.4 -89.5 -3.6 53.1 52.2 25.9 27 28 X S - 0 0 43 125,-0.1 -2,-0.1 1,-0.1 3,-0.1 -0.313 64.2-132.5 -71.4 148.7 51.3 54.6 23.6 28 29 X G - 0 0 40 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.0 -0.427 48.2 -57.5 -88.4 174.4 47.5 55.0 23.5 29 30 X P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.191 58.9-179.6 -54.6 143.0 45.3 55.1 20.4 30 31 X K - 0 0 44 39,-0.2 43,-2.5 -25,-0.1 2,-0.7 -0.903 36.4-111.3-134.0 164.9 46.0 57.7 17.7 31 32 X V E -ab 7 73A 0 -25,-2.4 -23,-2.4 -2,-0.3 2,-0.6 -0.922 38.1-156.5 -93.2 111.2 44.7 58.8 14.3 32 33 X V E -ab 8 74A 7 41,-3.0 43,-2.7 -2,-0.7 2,-0.4 -0.852 5.1-151.1 -96.4 121.4 47.6 57.8 12.1 33 34 X E E +ab 9 75A 60 -25,-2.9 -23,-2.3 -2,-0.6 2,-0.3 -0.773 19.5 170.9-100.3 130.9 47.6 59.8 8.8 34 35 X F E - b 0 76A 7 41,-2.3 43,-2.4 -2,-0.4 2,-0.4 -0.923 16.2-153.7-128.7 158.4 49.0 58.5 5.6 35 36 X T E - b 0 77A 79 -25,-0.3 2,-0.4 -2,-0.3 -23,-0.2 -0.999 9.9-176.9-132.1 138.4 49.0 59.7 2.0 36 37 X M E - b 0 78A 0 41,-2.4 43,-2.8 -2,-0.4 2,-0.5 -0.999 10.6-157.0-132.0 141.6 49.2 57.7 -1.3 37 38 X T E - b 0 79A 55 -2,-0.4 21,-1.9 41,-0.2 22,-0.2 -0.978 19.4-131.8-116.3 123.5 49.4 58.9 -4.8 38 39 X I E -D 57 0B 2 41,-2.6 2,-0.4 -2,-0.5 19,-0.2 -0.479 22.0-170.8 -72.3 138.0 48.3 56.5 -7.6 39 40 X E E -D 56 0B 84 17,-2.3 17,-1.7 -2,-0.2 2,-0.4 -0.963 9.9-160.2-133.7 117.8 50.7 56.2 -10.6 40 41 X E E +D 55 0B 29 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.807 31.9 151.4 -86.0 134.9 49.7 54.4 -13.8 41 42 X K E -D 54 0B 64 13,-1.7 13,-1.9 -2,-0.4 2,-0.4 -0.968 49.6-106.0-163.4 152.5 52.9 53.5 -15.8 42 43 X K E -D 53 0B 88 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.645 43.1-169.8 -77.5 129.9 54.3 51.0 -18.3 43 44 X M E -D 52 0B 42 9,-2.9 9,-2.7 -2,-0.4 2,-0.5 -0.947 25.9-127.5-127.4 144.6 56.8 48.7 -16.5 44 45 X V E +D 51 0B 78 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.825 28.8 178.6 -89.1 125.9 59.3 46.1 -17.7 45 46 X I + 0 0 0 5,-2.5 172,-2.5 -2,-0.5 2,-0.2 0.454 54.2 31.3-117.0 -3.7 58.6 42.9 -15.8 46 47 X D S > S- 0 0 10 4,-0.7 3,-0.8 170,-0.2 164,-0.0 -0.846 82.0-100.4-144.9-176.2 61.1 40.4 -17.1 47 48 X D T 3 S+ 0 0 140 -2,-0.2 -3,-0.0 1,-0.2 169,-0.0 0.521 113.5 60.0 -90.3 -4.8 64.6 40.0 -18.4 48 49 X K T 3 S- 0 0 149 2,-0.0 -1,-0.2 0, 0.0 -4,-0.0 0.267 120.0 -99.3-103.6 10.6 63.5 39.8 -22.1 49 50 X G < + 0 0 46 -3,-0.8 -2,-0.1 1,-0.3 2,-0.1 0.526 62.4 161.4 90.7 8.3 61.9 43.2 -22.1 50 51 X T - 0 0 10 -6,-0.1 -5,-2.5 1,-0.1 -4,-0.7 -0.390 25.5-148.3 -60.5 136.0 58.2 42.3 -21.7 51 52 X T E -D 44 0B 21 136,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.793 10.4-155.7-108.6 153.5 56.1 45.2 -20.5 52 53 X L E -D 43 0B 15 -9,-2.7 -9,-2.9 -2,-0.3 2,-1.3 -0.995 21.4-132.6-120.2 131.3 53.1 45.5 -18.4 53 54 X Q E -D 42 0B 20 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.724 50.3-169.3 -78.5 95.5 50.6 48.4 -18.5 54 55 X A E -D 41 0B 0 -13,-1.9 -13,-1.7 -2,-1.3 2,-0.4 -0.408 29.5-156.4 -99.4 161.0 50.6 48.8 -14.8 55 56 X M E +D 40 0B 0 86,-2.1 2,-0.3 -15,-0.2 -15,-0.2 -0.996 24.2 177.8-135.3 132.0 48.7 50.6 -12.1 56 57 X T E -D 39 0B 0 -17,-1.7 -17,-2.3 -2,-0.4 2,-0.6 -0.940 35.9-127.2-137.0 151.3 50.2 51.3 -8.7 57 58 X F E > S-DE 38 60B 0 3,-0.6 3,-1.4 85,-0.4 -19,-0.2 -0.887 103.5 -9.0 -84.9 125.3 49.8 52.9 -5.3 58 59 X N T 3 S- 0 0 67 -21,-1.9 -1,-0.2 -2,-0.6 -20,-0.2 0.643 121.6 -69.0 60.8 20.5 52.8 55.2 -4.8 59 60 X G T 3 S+ 0 0 14 -22,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.412 108.9 96.6 85.5 -1.3 54.8 54.0 -7.9 60 61 X S B < S-E 57 0B 24 -3,-1.4 -3,-0.6 82,-0.0 -1,-0.2 -0.872 73.1-110.9-123.4 152.6 55.6 50.5 -6.6 61 62 X M S S+ 0 0 7 -2,-0.3 2,-0.2 153,-0.3 111,-0.1 -0.997 110.0 28.2-112.8 118.5 54.2 46.9 -6.8 62 63 X P S S- 0 0 1 0, 0.0 83,-0.2 0, 0.0 3,-0.1 0.737 103.3-120.7 -73.4 175.4 53.2 46.2 -4.1 63 64 X G - 0 0 0 81,-2.8 83,-0.4 79,-0.2 -5,-0.1 -0.202 50.4 -72.8 -62.4 169.0 52.1 49.6 -2.7 64 65 X P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 82,-0.2 -0.242 48.8-108.4 -66.8 152.3 53.9 50.5 0.6 65 66 X T - 0 0 2 -48,-0.4 -46,-0.6 -52,-0.4 2,-0.5 -0.736 28.1-150.9 -81.8 129.2 53.0 48.7 3.8 66 67 X L E -f 147 0C 0 80,-2.1 82,-3.2 -2,-0.4 2,-0.5 -0.896 11.9-161.0 -98.0 128.4 51.1 50.8 6.3 67 68 X V E +f 148 0C 7 -2,-0.5 2,-0.2 80,-0.2 82,-0.2 -0.951 22.4 145.9-119.3 126.5 51.7 50.0 10.0 68 69 X V E -f 149 0C 3 80,-2.4 82,-2.8 -2,-0.5 2,-0.3 -0.774 41.5-105.3-134.3-179.6 49.5 50.9 12.9 69 70 X H E > -f 150 0C 18 80,-0.2 3,-2.5 -2,-0.2 50,-0.2 -0.862 45.5 -85.3-109.9 153.4 48.4 49.4 16.2 70 71 X E T 3 S+ 0 0 80 80,-2.7 50,-0.2 -2,-0.3 82,-0.1 -0.330 118.4 28.5 -55.4 130.6 45.1 47.8 17.2 71 72 X G T 3 S+ 0 0 17 48,-2.4 -1,-0.3 1,-0.4 49,-0.2 0.130 95.2 116.2 93.9 -16.7 42.7 50.5 18.3 72 73 X D < - 0 0 8 -3,-2.5 47,-2.7 47,-0.4 -1,-0.4 -0.313 64.0-126.2 -66.6 165.3 44.3 53.2 16.1 73 74 X Y E -bC 31 118A 31 -43,-2.5 -41,-3.0 45,-0.3 2,-0.5 -0.948 13.7-141.6-112.7 134.5 42.4 54.8 13.3 74 75 X V E -bC 32 117A 0 43,-2.9 43,-2.2 -2,-0.4 2,-0.5 -0.881 15.6-171.2 -93.8 129.0 43.9 54.9 9.8 75 76 X Q E -bC 33 116A 43 -43,-2.7 -41,-2.3 -2,-0.5 2,-0.5 -0.902 10.1-173.9-124.5 100.8 43.3 58.1 8.0 76 77 X L E -bC 34 115A 3 39,-2.1 39,-2.3 -2,-0.5 2,-0.7 -0.822 18.9-157.8-104.0 130.8 44.3 57.9 4.3 77 78 X T E -bC 35 114A 33 -43,-2.4 -41,-2.4 -2,-0.5 2,-0.6 -0.926 16.4-161.8 -98.8 115.7 44.4 60.6 1.8 78 79 X L E -bC 36 113A 1 35,-2.9 35,-1.7 -2,-0.7 2,-0.5 -0.917 4.6-164.7-102.4 123.0 44.2 59.0 -1.7 79 80 X V E -bC 37 112A 29 -43,-2.8 -41,-2.6 -2,-0.6 33,-0.2 -0.886 12.1-171.0-112.7 126.1 45.4 61.1 -4.6 80 81 X N E - 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