==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-OCT-04 1WAE . COMPND 2 MOLECULE: DISSIMILATORY COPPER-CONTAINING NITRITE . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES XYLOSOXYDANS; . AUTHOR M.J.ELLIS,S.V.ANTONYUK,R.W.STRANGE,G.SAWERS,R.R.EADY, . 334 1 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) . 209 62.6 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 . 34 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 5.1 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 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 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 A D 0 0 142 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.8 -9.5 34.1 20.6 2 3 A A + 0 0 4 1,-0.2 71,-0.1 70,-0.0 29,-0.0 0.575 360.0 73.3 -86.2 -3.7 -7.0 33.7 17.8 3 4 A D S S+ 0 0 87 28,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.953 96.3 44.7 -78.6 -45.8 -7.2 37.3 17.2 4 5 A K S S+ 0 0 74 -3,-0.1 26,-0.0 26,-0.0 0, 0.0 -0.714 83.1 102.3 -91.7 149.3 -5.2 38.3 20.2 5 6 A L S S- 0 0 59 -2,-0.4 25,-0.1 26,-0.1 -3,-0.0 -0.234 83.9 -84.9 139.5 136.2 -2.3 36.0 20.3 6 7 A P - 0 0 85 0, 0.0 25,-2.3 0, 0.0 2,-0.3 -0.314 41.9-136.8 -56.0 148.1 1.1 37.2 19.2 7 8 A H E -a 31 0A 92 23,-0.2 2,-0.3 25,-0.1 25,-0.2 -0.799 18.4-170.6-107.0 154.1 1.9 37.0 15.5 8 9 A T E -a 32 0A 55 23,-2.3 25,-3.4 -2,-0.3 2,-0.5 -0.978 15.3-136.7-141.5 152.3 5.2 35.9 14.1 9 10 A K E -a 33 0A 167 -2,-0.3 2,-0.4 23,-0.2 25,-0.2 -0.954 16.0-159.4-115.0 126.7 6.7 36.0 10.5 10 11 A V - 0 0 36 23,-2.4 2,-0.5 -2,-0.5 25,-0.3 -0.861 8.5-145.2-106.5 139.4 8.6 33.0 9.1 11 12 A T - 0 0 124 -2,-0.4 2,-0.1 23,-0.1 23,-0.0 -0.898 21.6-139.1-101.5 124.7 11.0 33.2 6.2 12 13 A L - 0 0 30 -2,-0.5 2,-0.3 23,-0.2 54,-0.1 -0.411 12.1-154.6 -84.1 155.0 10.9 30.0 3.9 13 14 A V - 0 0 54 52,-0.3 52,-0.3 4,-0.1 6,-0.2 -0.928 27.9 -92.1-126.0 154.8 14.0 28.3 2.4 14 15 A A > - 0 0 70 -2,-0.3 3,-1.4 50,-0.1 49,-0.1 -0.317 58.2 -75.4 -66.3 139.0 14.3 26.1 -0.7 15 16 A P T 3 S+ 0 0 22 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.388 110.9 43.8 -56.7 153.3 14.0 22.3 -0.5 16 17 A P T 3 S+ 0 0 27 0, 0.0 154,-2.0 0, 0.0 2,-0.1 -0.990 111.2 69.0 -85.9 6.0 15.6 20.0 0.5 17 18 A Q S < S- 0 0 98 -3,-1.4 48,-0.4 152,-0.2 2,-0.4 -0.425 71.0-144.7 -75.5 159.5 16.3 22.2 3.4 18 19 A V - 0 0 19 150,-0.5 150,-0.2 -2,-0.1 3,-0.1 -0.973 30.6 -98.0-123.4 138.8 13.7 23.1 6.0 19 20 A H - 0 0 9 46,-0.5 -7,-0.1 -2,-0.4 48,-0.0 -0.251 51.2 -88.3 -60.8 137.8 13.6 26.5 7.7 20 21 A P + 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.071 65.5 149.6 -43.6 143.6 15.1 26.7 11.2 21 22 A H - 0 0 61 -3,-0.1 2,-0.4 47,-0.0 47,-0.1 -0.973 42.6 -98.2-169.5 167.7 12.6 25.9 13.9 22 23 A E - 0 0 105 -2,-0.3 3,-0.1 1,-0.2 132,-0.1 -0.790 16.1-164.0 -99.9 140.6 12.2 24.5 17.4 23 24 A Q S S+ 0 0 42 -2,-0.4 131,-0.4 1,-0.3 -1,-0.2 0.779 81.7 22.6 -82.7 -99.0 11.1 20.9 18.3 24 25 A A S S- 0 0 53 129,-0.3 2,-0.3 131,-0.1 -1,-0.3 -0.383 85.9-178.6 -63.9 147.9 10.0 21.0 22.0 25 26 A T - 0 0 24 127,-2.0 129,-0.0 -3,-0.1 -1,-0.0 -0.997 41.8-151.5-155.0 149.3 9.1 24.5 23.1 26 27 A K + 0 0 133 -2,-0.3 -1,-0.1 2,-0.0 127,-0.1 0.495 68.4 108.5 -94.6 -6.8 8.0 26.7 26.0 27 28 A S - 0 0 45 125,-0.1 -2,-0.1 1,-0.1 3,-0.1 -0.355 64.6-132.1 -71.6 151.0 6.2 29.2 23.8 28 29 A G - 0 0 40 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.0 -0.423 48.1 -54.3 -92.1 176.1 2.4 29.3 23.8 29 30 A P + 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.014 59.6 178.7 -51.4 153.7 0.3 29.4 20.6 30 31 A K - 0 0 70 39,-0.2 43,-2.3 -25,-0.1 2,-0.8 -0.931 37.3-107.6-148.1 167.2 0.8 32.1 17.9 31 32 A V E -ab 7 73A 0 -25,-2.3 -23,-2.3 -2,-0.3 2,-0.6 -0.934 38.5-155.9-100.7 110.1 -0.4 33.2 14.6 32 33 A V E -ab 8 74A 7 41,-2.7 43,-2.3 -2,-0.8 2,-0.4 -0.821 5.5-150.9 -94.3 118.5 2.4 32.2 12.2 33 34 A E E +ab 9 75A 47 -25,-3.4 -23,-2.4 -2,-0.6 2,-0.3 -0.738 20.1 168.9 -94.5 134.3 2.5 34.3 9.0 34 35 A F E - b 0 76A 2 41,-2.3 43,-2.1 -2,-0.4 2,-0.3 -0.938 16.6-156.0-135.0 158.1 3.8 33.0 5.7 35 36 A T E - b 0 77A 77 -2,-0.3 2,-0.3 -25,-0.3 -23,-0.2 -0.998 9.2-178.5-137.1 142.2 3.8 34.1 2.1 36 37 A M E - b 0 78A 0 41,-1.9 43,-2.4 -2,-0.3 2,-0.5 -0.999 12.4-152.5-136.3 141.4 4.2 32.1 -1.2 37 38 A T E - b 0 79A 60 -2,-0.3 21,-1.4 41,-0.2 22,-0.2 -0.957 18.3-130.9-119.6 120.5 4.2 33.2 -4.8 38 39 A I E -D 57 0B 2 41,-2.2 2,-0.4 -2,-0.5 19,-0.2 -0.395 23.7-172.6 -68.2 135.6 3.1 30.9 -7.7 39 40 A E E -D 56 0B 86 17,-2.3 17,-1.7 -2,-0.1 2,-0.4 -0.948 12.6-159.5-136.4 115.4 5.4 30.5 -10.7 40 41 A E E +D 55 0B 31 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.745 31.7 155.8 -86.4 136.1 4.6 28.7 -13.9 41 42 A K E -D 54 0B 62 13,-2.1 13,-2.0 -2,-0.4 2,-0.4 -0.981 46.6-112.8-161.6 150.5 7.8 27.8 -15.8 42 43 A K E -D 53 0B 87 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.738 42.2-168.4 -85.2 131.4 9.2 25.3 -18.3 43 44 A M E -D 52 0B 44 9,-2.6 9,-2.6 -2,-0.4 2,-0.5 -0.946 25.6-126.0-127.4 149.3 11.7 23.0 -16.6 44 45 A V E +D 51 0B 76 -2,-0.3 7,-0.3 7,-0.2 6,-0.1 -0.808 29.5 178.1 -89.3 126.4 14.3 20.5 -17.8 45 46 A I + 0 0 0 5,-2.6 172,-2.2 -2,-0.5 2,-0.2 0.515 50.9 28.4-115.1 -3.1 13.6 17.2 -16.0 46 47 A D S > S- 0 0 7 4,-0.7 3,-0.5 170,-0.2 262,-0.0 -0.865 81.5 -96.0-147.4 178.0 16.2 14.5 -17.2 47 48 A D T 3 S+ 0 0 145 -2,-0.2 -3,-0.0 1,-0.2 169,-0.0 0.638 116.9 57.4 -75.6 -17.8 19.7 13.9 -18.6 48 49 A K T 3 S- 0 0 148 2,-0.0 -1,-0.2 0, 0.0 -4,-0.0 0.530 118.9-103.3 -88.8 -15.0 18.4 13.9 -22.3 49 50 A G < + 0 0 42 -3,-0.5 -2,-0.1 1,-0.3 2,-0.0 0.533 60.0 161.7 115.7 13.4 16.9 17.3 -22.1 50 51 A T - 0 0 15 -6,-0.1 -5,-2.6 1,-0.1 -4,-0.7 -0.342 24.3-148.8 -62.0 142.8 13.2 16.6 -21.8 51 52 A T E -D 44 0B 23 -7,-0.3 2,-0.4 136,-0.2 -7,-0.2 -0.838 8.8-152.1-116.6 156.0 11.1 19.5 -20.5 52 53 A L E -D 43 0B 16 -9,-2.6 -9,-2.6 -2,-0.3 2,-1.5 -0.986 21.9-130.7-121.3 130.6 8.0 19.8 -18.5 53 54 A Q E -D 42 0B 22 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.689 51.4-168.8 -77.0 95.6 5.5 22.7 -18.7 54 55 A A E -D 41 0B 0 -13,-2.0 -13,-2.1 -2,-1.5 2,-0.4 -0.409 29.6-157.5 -97.8 161.9 5.5 23.1 -14.9 55 56 A M E +D 40 0B 0 86,-1.9 2,-0.3 -15,-0.2 -15,-0.2 -0.994 23.8 179.5-136.8 128.5 3.6 24.9 -12.1 56 57 A T E -D 39 0B 0 -17,-1.7 -17,-2.3 -2,-0.4 2,-0.6 -0.914 35.9-127.5-135.9 154.6 5.1 25.7 -8.7 57 58 A F E > S-DE 38 60B 0 3,-0.7 3,-1.3 85,-0.4 -19,-0.2 -0.905 103.7 -10.3 -90.3 121.2 4.7 27.2 -5.3 58 59 A N T 3 S- 0 0 70 -21,-1.4 -1,-0.2 -2,-0.6 -20,-0.2 0.638 121.4 -67.8 64.6 19.3 7.7 29.6 -4.8 59 60 A G T 3 S+ 0 0 13 -22,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.372 108.6 97.0 86.5 -4.0 9.6 28.4 -7.9 60 61 A S B < S-E 57 0B 25 -3,-1.3 -3,-0.7 82,-0.0 -1,-0.2 -0.839 72.0-110.1-121.6 154.9 10.5 24.9 -6.6 61 62 A M S S+ 0 0 7 -2,-0.3 2,-0.1 153,-0.2 111,-0.1 -0.996 108.4 25.5-115.7 116.9 9.2 21.2 -6.9 62 63 A P S S- 0 0 1 0, 0.0 83,-0.2 0, 0.0 3,-0.1 0.707 103.5-116.1 -79.2-178.8 8.1 20.5 -4.3 63 64 A G - 0 0 0 81,-2.7 83,-0.3 79,-0.2 -5,-0.1 -0.175 48.3 -75.9 -61.9 165.8 7.0 23.7 -2.6 64 65 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 82,-0.2 -0.330 48.2-111.3 -62.1 147.1 8.8 24.8 0.6 65 66 A T - 0 0 3 -48,-0.4 -46,-0.5 -52,-0.3 2,-0.5 -0.704 27.3-149.6 -83.3 130.3 7.9 22.9 3.8 66 67 A L E -f 147 0C 0 80,-2.1 82,-3.2 -2,-0.4 2,-0.5 -0.884 10.7-161.5 -99.1 130.2 6.0 25.0 6.4 67 68 A V E +f 148 0C 8 -2,-0.5 2,-0.2 80,-0.2 82,-0.2 -0.947 22.3 145.7-118.2 126.8 6.6 24.3 10.2 68 69 A V E -f 149 0C 3 80,-2.1 82,-2.2 -2,-0.5 2,-0.3 -0.751 41.7-104.3-135.6-177.4 4.3 25.3 13.1 69 70 A H E > -f 150 0C 17 -2,-0.2 3,-2.5 80,-0.2 50,-0.2 -0.864 43.4 -86.0-115.3 152.9 3.3 23.8 16.4 70 71 A E T 3 S+ 0 0 78 80,-2.7 50,-0.2 -2,-0.3 82,-0.1 -0.321 118.2 28.6 -52.6 128.1 0.1 22.1 17.4 71 72 A G T 3 S+ 0 0 16 48,-2.1 -1,-0.3 1,-0.4 49,-0.1 0.159 95.4 116.2 100.5 -18.6 -2.4 24.8 18.6 72 73 A D < - 0 0 8 -3,-2.5 47,-2.3 47,-0.4 2,-0.4 -0.239 63.6-124.5 -69.5 170.3 -0.9 27.5 16.4 73 74 A Y E -bC 31 118A 42 -43,-2.3 -41,-2.7 45,-0.2 2,-0.5 -0.968 15.3-141.3-118.2 134.2 -2.8 29.2 13.6 74 75 A V E -bC 32 117A 0 43,-2.8 43,-2.1 -2,-0.4 2,-0.4 -0.830 16.8-173.2 -94.2 133.4 -1.4 29.2 10.0 75 76 A Q E -bC 33 116A 46 -43,-2.3 -41,-2.3 -2,-0.5 2,-0.5 -0.909 9.0-175.7-131.9 104.1 -2.0 32.5 8.1 76 77 A L E -bC 34 115A 3 39,-2.4 39,-2.5 -2,-0.4 2,-0.6 -0.859 20.1-157.7-109.3 133.1 -0.9 32.3 4.5 77 78 A T E -bC 35 114A 30 -43,-2.1 -41,-1.9 -2,-0.5 2,-0.5 -0.936 17.7-162.6-101.0 122.1 -0.9 35.0 1.9 78 79 A L E -bC 36 113A 2 35,-2.0 35,-1.4 -2,-0.6 2,-0.4 -0.955 4.9-163.8-110.7 121.7 -1.0 33.4 -1.6 79 80 A V E -bC 37 112A 28 -43,-2.4 -41,-2.2 -2,-0.5 33,-0.2 -0.890 14.0-171.9-114.1 130.0 0.1 35.5 -4.6 80 81 A N E - 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