==== 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 09-APR-01 1HAW . COMPND 2 MOLECULE: DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES XYLOSOXYDANS; . AUTHOR M.J.ELLIS,F.E.DODD,R.W.STRANGE,M.PRUDENCIO,R.R.SAWERSEADY, . 336 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.6 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 . 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 . 38 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.1 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 . 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 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 . 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 1 A Q 0 0 176 0, 0.0 2,-0.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 2.1 84.0 23.5 -21.9 2 2 A D > - 0 0 89 1,-0.2 3,-1.6 3,-0.1 4,-0.4 -0.625 360.0-150.0 -67.9 137.6 87.1 21.8 -20.0 3 3 A A G > S+ 0 0 4 -2,-0.7 3,-1.4 1,-0.3 -1,-0.2 0.842 88.5 61.1 -57.9 -41.7 87.0 24.3 -17.1 4 4 A D G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.1 0.812 105.5 48.1 -61.3 -20.5 90.8 24.1 -16.4 5 5 A K G < S+ 0 0 183 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.343 94.8 95.5-100.4 -6.4 91.5 25.4 -20.0 6 6 A L S < S- 0 0 32 -3,-1.4 25,-0.1 -4,-0.4 26,-0.0 -0.638 87.2 -87.8 -67.9 155.5 89.0 28.4 -19.8 7 7 A P - 0 0 78 0, 0.0 25,-2.6 0, 0.0 2,-0.4 -0.188 40.4-144.5 -67.2 147.7 89.9 31.9 -18.9 8 8 A H E -a 32 0A 83 23,-0.2 2,-0.3 25,-0.0 25,-0.2 -0.947 17.6-178.9-116.0 144.0 89.9 32.9 -15.2 9 9 A T E -a 33 0A 63 23,-2.0 25,-3.4 -2,-0.4 2,-0.4 -0.964 19.7-132.2-146.6 150.9 88.9 36.2 -13.7 10 10 A K E -a 34 0A 164 -2,-0.3 2,-0.4 23,-0.2 25,-0.2 -0.925 15.0-157.1-108.9 135.6 88.7 37.6 -10.2 11 11 A V - 0 0 37 23,-2.2 2,-0.7 -2,-0.4 25,-0.3 -0.903 10.8-141.7-113.5 140.4 85.8 39.6 -8.8 12 12 A T - 0 0 123 -2,-0.4 2,-0.1 9,-0.1 23,-0.1 -0.902 25.0-139.4 -98.6 113.7 86.0 42.0 -5.9 13 13 A L - 0 0 26 -2,-0.7 2,-0.3 23,-0.2 54,-0.1 -0.425 14.6-156.7 -75.2 145.8 82.8 41.6 -3.8 14 14 A V - 0 0 55 52,-0.3 52,-0.3 4,-0.1 6,-0.2 -0.858 24.3 -95.1-118.2 164.2 81.0 44.6 -2.3 15 15 A A > - 0 0 62 -2,-0.3 3,-1.6 50,-0.1 49,-0.1 -0.465 56.3 -69.5 -82.0 147.2 78.7 44.9 0.7 16 16 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.209 111.7 41.1 -57.6 150.6 74.9 44.7 0.5 17 17 A P T 3 S+ 0 0 28 0, 0.0 154,-1.9 0, 0.0 2,-0.1 -0.985 110.9 67.0 -87.4 5.0 72.8 46.4 -0.5 18 18 A Q < - 0 0 66 -3,-1.6 48,-0.4 152,-0.2 2,-0.4 -0.419 69.7-144.7 -76.5 163.7 75.0 47.1 -3.5 19 19 A V - 0 0 15 150,-0.5 150,-0.2 -2,-0.1 3,-0.1 -0.982 28.2-100.2-125.8 138.0 75.9 44.4 -6.0 20 20 A H - 0 0 5 46,-0.5 -7,-0.1 -2,-0.4 -9,-0.0 -0.104 50.5 -84.4 -60.6 152.8 79.3 44.2 -7.7 21 21 A P + 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.225 62.6 153.3 -55.9 143.2 79.7 45.6 -11.3 22 22 A H - 0 0 56 -3,-0.1 2,-0.3 47,-0.0 47,-0.1 -0.966 43.1-107.9-163.9 162.9 78.8 43.1 -14.0 23 23 A E - 0 0 114 -2,-0.3 3,-0.1 1,-0.2 132,-0.1 -0.761 17.8-151.2 -95.1 146.4 77.5 43.0 -17.5 24 24 A Q S S+ 0 0 34 -2,-0.3 131,-0.5 1,-0.2 -1,-0.2 0.915 87.0 22.5 -79.2 -78.8 73.9 41.9 -18.2 25 25 A A S S- 0 0 60 129,-0.3 2,-0.3 131,-0.1 -1,-0.2 -0.560 84.4-165.4 -82.1 145.6 74.2 40.5 -21.7 26 26 A T - 0 0 25 127,-2.6 129,-0.0 -2,-0.2 -1,-0.0 -0.973 28.6-158.9-131.7 149.9 77.8 39.4 -22.5 27 27 A K + 0 0 217 -2,-0.3 -1,-0.1 2,-0.1 127,-0.0 0.727 68.6 100.6 -91.8 -30.1 79.6 38.5 -25.7 28 28 A S S S- 0 0 57 1,-0.1 -2,-0.1 125,-0.1 3,-0.1 -0.072 71.1-129.0 -52.6 153.8 82.3 36.6 -23.8 29 29 A G - 0 0 41 1,-0.2 -1,-0.1 43,-0.0 -2,-0.1 -0.388 53.5 -45.2 -93.2-175.8 82.1 32.8 -23.7 30 30 A P + 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.054 61.6 176.3 -55.8 143.5 82.3 30.8 -20.4 31 31 A K - 0 0 52 39,-0.2 43,-2.4 -25,-0.1 2,-0.5 -0.850 36.9-107.7-137.8 173.9 84.9 31.6 -17.8 32 32 A V E -ab 8 74A 0 -25,-2.6 -23,-2.0 -2,-0.3 2,-0.6 -0.920 35.9-157.6-104.6 114.9 86.0 30.5 -14.3 33 33 A V E -ab 9 75A 7 41,-2.6 43,-3.1 -2,-0.5 2,-0.5 -0.962 6.6-149.0-104.2 119.7 85.1 33.3 -12.0 34 34 A E E +ab 10 76A 53 -25,-3.4 -23,-2.2 -2,-0.6 2,-0.3 -0.819 19.6 173.2 -96.6 129.3 87.1 33.4 -8.8 35 35 A F E - b 0 77A 1 41,-2.8 43,-2.8 -2,-0.5 2,-0.4 -0.944 15.7-155.8-127.9 154.8 85.7 34.7 -5.5 36 36 A T E - b 0 78A 81 -25,-0.3 2,-0.4 -2,-0.3 -23,-0.2 -0.978 11.4-178.5-127.9 136.5 86.9 34.8 -2.0 37 37 A M E - b 0 79A 0 41,-2.4 43,-2.9 -2,-0.4 2,-0.5 -0.999 10.5-157.1-136.0 136.5 84.8 34.9 1.2 38 38 A T E - b 0 80A 52 -2,-0.4 21,-3.0 41,-0.2 2,-0.3 -0.949 18.3-129.9-113.5 131.1 85.9 35.1 4.8 39 39 A I E -D 58 0B 1 41,-2.4 2,-0.4 -2,-0.5 19,-0.2 -0.622 22.3-169.8 -80.5 136.3 83.6 34.0 7.7 40 40 A E E -D 57 0B 84 17,-2.3 17,-1.9 -2,-0.3 2,-0.5 -0.972 9.3-162.3-131.6 114.2 83.2 36.4 10.6 41 41 A E E +D 56 0B 32 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.832 32.0 153.2 -89.4 124.5 81.5 35.5 13.8 42 42 A K E -D 55 0B 65 13,-1.5 13,-2.0 -2,-0.5 2,-0.4 -0.983 48.6-113.2-155.1 154.0 80.6 38.7 15.7 43 43 A K E -D 54 0B 88 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.675 43.2-173.3 -85.0 127.0 78.2 40.1 18.2 44 44 A M E -D 53 0B 37 9,-2.7 9,-2.8 -2,-0.4 2,-0.6 -0.942 29.2-120.9-128.7 154.5 76.0 42.7 16.5 45 45 A V E -D 52 0B 88 -2,-0.3 7,-0.3 7,-0.2 6,-0.1 -0.820 28.8-178.0 -88.9 119.4 73.4 45.3 17.6 46 46 A I + 0 0 0 5,-2.6 172,-2.9 -2,-0.6 2,-0.2 0.546 56.8 25.7-105.0 -4.7 70.1 44.4 15.7 47 47 A D S > S- 0 0 20 4,-0.7 3,-0.6 170,-0.2 164,-0.0 -0.796 81.7-101.0-141.2-172.8 67.6 47.1 16.8 48 48 A D T 3 S+ 0 0 133 -2,-0.2 -3,-0.0 1,-0.2 171,-0.0 0.486 113.5 65.5 -92.5 -3.1 67.5 50.7 18.1 49 49 A K T 3 S- 0 0 182 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.293 118.8-101.9 -98.3 2.9 66.9 49.5 21.7 50 50 A G < + 0 0 45 -3,-0.6 2,-0.1 1,-0.3 -2,-0.1 0.563 62.1 161.8 88.0 10.8 70.4 47.9 22.0 51 51 A T - 0 0 15 -6,-0.1 -5,-2.6 1,-0.1 -4,-0.7 -0.422 24.9-149.6 -65.3 136.3 69.4 44.3 21.5 52 52 A T E -D 45 0B 26 -7,-0.3 2,-0.4 136,-0.2 -7,-0.2 -0.814 11.7-160.0-107.8 155.8 72.3 42.1 20.6 53 53 A L E -D 44 0B 22 -9,-2.8 -9,-2.7 -2,-0.3 2,-1.2 -0.993 23.4-132.5-130.3 134.6 72.7 39.0 18.5 54 54 A Q E -D 43 0B 21 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.729 49.9-171.0 -81.4 97.8 75.6 36.5 18.6 55 55 A A E -D 42 0B 0 -13,-2.0 -13,-1.5 -2,-1.2 2,-0.4 -0.447 28.5-157.2-101.6 165.2 75.8 36.5 14.8 56 56 A M E +D 41 0B 0 86,-2.0 2,-0.3 -15,-0.2 -15,-0.2 -0.984 25.8 176.2-139.6 122.7 77.7 34.5 12.1 57 57 A T E -D 40 0B 0 -17,-1.9 -17,-2.3 -2,-0.4 2,-0.6 -0.900 37.4-122.9-136.4 162.8 78.3 36.0 8.7 58 58 A F E > S-DE 39 61B 0 3,-0.7 3,-1.4 85,-0.4 -19,-0.2 -0.922 104.0 -9.6-100.0 116.1 79.9 35.6 5.4 59 59 A N T 3 S- 0 0 64 -21,-3.0 -1,-0.2 -2,-0.6 -20,-0.2 0.723 121.6 -69.4 68.9 17.6 82.3 38.7 4.9 60 60 A G T 3 S+ 0 0 13 -22,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.500 109.6 94.4 84.2 5.9 81.0 40.5 8.0 61 61 A S B < S-E 58 0B 25 -3,-1.4 -3,-0.7 82,-0.1 -1,-0.2 -0.894 73.4-107.4-128.1 160.9 77.6 41.4 6.7 62 62 A M S S+ 0 0 7 -2,-0.3 2,-0.2 153,-0.2 111,-0.1 -0.999 108.4 26.8-122.0 122.8 74.0 40.0 6.7 63 63 A P S S- 0 0 0 0, 0.0 83,-0.3 0, 0.0 3,-0.1 0.730 101.9-120.6 -75.5 176.8 73.3 38.9 4.1 64 64 A G - 0 0 0 81,-2.6 83,-0.4 1,-0.2 -5,-0.1 -0.221 50.5 -72.9 -64.8 168.7 76.6 37.9 2.6 65 65 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.305 47.0-110.0 -64.9 153.9 77.5 39.6 -0.7 66 66 A T - 0 0 2 -48,-0.4 -46,-0.5 -52,-0.3 2,-0.4 -0.663 27.7-152.0 -83.4 130.1 75.7 38.7 -3.9 67 67 A L E -f 148 0C 0 80,-2.0 82,-3.2 -2,-0.4 2,-0.4 -0.882 10.7-160.0-102.0 131.3 77.9 36.9 -6.4 68 68 A V E +f 149 0C 6 -2,-0.4 2,-0.3 80,-0.2 82,-0.2 -0.987 22.5 148.0-119.1 131.9 77.0 37.4 -10.1 69 69 A V E -f 150 0C 3 80,-2.2 82,-2.7 -2,-0.4 2,-0.3 -0.823 41.5-106.1-143.0 177.3 78.1 35.1 -13.0 70 70 A H E > -f 151 0C 15 -2,-0.3 3,-2.6 80,-0.2 50,-0.2 -0.860 46.4 -83.8-112.1 155.7 76.5 34.1 -16.4 71 71 A E T 3 S+ 0 0 77 80,-2.9 50,-0.2 -2,-0.3 82,-0.1 -0.260 119.0 29.3 -54.3 127.6 74.9 30.8 -17.2 72 72 A G T 3 S+ 0 0 16 48,-2.8 -1,-0.3 1,-0.4 49,-0.2 0.094 93.2 119.7 103.0 -19.1 77.7 28.4 -18.3 73 73 A D < - 0 0 5 -3,-2.6 47,-2.6 47,-0.4 2,-0.4 -0.170 62.5-125.0 -72.1 167.1 80.4 30.0 -16.1 74 74 A Y E -bC 32 119A 27 -43,-2.4 -41,-2.6 45,-0.2 2,-0.5 -0.934 16.2-140.4-114.3 131.4 82.2 28.1 -13.4 75 75 A V E -bC 33 118A 0 43,-3.4 43,-2.0 -2,-0.4 2,-0.6 -0.914 15.6-169.4 -91.0 131.4 82.1 29.5 -9.9 76 76 A Q E -bC 34 117A 39 -43,-3.1 -41,-2.8 -2,-0.5 2,-0.5 -0.943 10.7-175.0-124.1 106.1 85.4 29.1 -8.0 77 77 A L E -bC 35 116A 2 39,-2.7 39,-2.3 -2,-0.6 2,-0.7 -0.895 19.3-160.1-108.9 131.5 85.1 30.0 -4.4 78 78 A T E -bC 36 115A 25 -43,-2.8 -41,-2.4 -2,-0.5 2,-0.6 -0.897 15.7-160.4-102.7 115.3 87.8 30.1 -1.8 79 79 A L E -bC 37 114A 0 35,-2.9 35,-1.7 -2,-0.7 2,-0.5 -0.887 6.5-165.7 -99.1 121.6 86.1 29.9 1.7 80 80 A V E -bC 38 113A 29 -43,-2.9 -41,-2.4 -2,-0.6 33,-0.2 -0.924 12.2-173.7-112.3 123.2 88.3 31.2 4.5 81 81 A N E - 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