==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-NOV-10 2XX0 . COMPND 2 MOLECULE: DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER XYLOSOXIDANS; . AUTHOR S.V.ANTONYUK,N.G.H.LEFERINK,C.HAN,D.J.HEYES,S.E.J.RIGBY,M.A. . 671 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 21.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 78 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 0 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 PARALLEL BRIDGES PER LADDER . 11 3 6 2 0 4 2 4 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 . 3 2 4 4 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 0 119 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -53.3 -21.9 -51.1 -44.4 2 3 A A G > + 0 0 4 1,-0.3 3,-1.4 2,-0.2 29,-0.1 0.848 360.0 62.3 -63.5 -34.7 -20.3 -49.6 -41.3 3 4 A D G 3 S+ 0 0 137 1,-0.3 -1,-0.3 0, 0.0 28,-0.0 0.646 103.2 50.3 -67.8 -14.4 -17.4 -52.1 -41.3 4 5 A K G < S+ 0 0 172 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.449 92.1 98.1-101.4 2.2 -16.3 -50.8 -44.7 5 6 A L S < S- 0 0 30 -3,-1.4 25,-0.1 -4,-0.3 2,-0.0 -0.559 78.0-105.0 -91.4 154.8 -16.2 -47.1 -43.9 6 7 A P - 0 0 69 0, 0.0 25,-2.5 0, 0.0 2,-0.3 -0.371 33.5-132.6 -65.9 150.8 -13.2 -45.0 -42.9 7 8 A H E -a 31 0A 101 23,-0.2 2,-0.3 25,-0.1 25,-0.2 -0.790 19.6-172.1 -99.7 150.9 -12.8 -44.0 -39.3 8 9 A T E -a 32 0A 55 23,-2.5 25,-3.2 -2,-0.3 2,-0.4 -0.964 14.4-141.3-135.0 154.5 -12.1 -40.5 -37.9 9 10 A K E -a 33 0A 173 -2,-0.3 2,-0.5 23,-0.2 25,-0.2 -0.975 14.0-159.2-119.9 130.1 -11.2 -39.5 -34.3 10 11 A V - 0 0 32 23,-2.5 2,-0.6 -2,-0.4 25,-0.3 -0.920 10.5-143.0-112.1 135.9 -12.6 -36.3 -32.9 11 12 A T - 0 0 122 -2,-0.5 2,-0.1 23,-0.1 23,-0.1 -0.840 25.0-136.6 -93.2 120.8 -11.1 -34.4 -30.0 12 13 A L - 0 0 28 -2,-0.6 2,-0.3 23,-0.2 54,-0.1 -0.372 13.8-150.6 -76.7 154.8 -13.9 -32.9 -27.9 13 14 A V - 0 0 51 52,-0.3 52,-0.3 4,-0.1 6,-0.2 -0.912 24.7 -95.9-122.4 158.3 -13.8 -29.3 -26.4 14 15 A A > - 0 0 67 -2,-0.3 3,-1.5 50,-0.1 49,-0.1 -0.455 57.8 -74.3 -73.3 136.4 -15.4 -27.8 -23.3 15 16 A P T 3 S+ 0 0 21 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.284 111.1 42.6 -52.3 152.1 -18.6 -26.0 -23.5 16 17 A P T 3 S+ 0 0 26 0, 0.0 154,-2.1 0, 0.0 2,-0.1 -0.991 112.0 67.5 -88.9 5.7 -19.7 -23.4 -24.5 17 18 A Q S < S- 0 0 92 -3,-1.5 48,-0.4 152,-0.2 2,-0.4 -0.351 72.2-143.6 -75.8 163.3 -17.4 -24.0 -27.5 18 19 A V - 0 0 18 150,-0.4 150,-0.2 -3,-0.1 3,-0.1 -0.983 29.0 -98.3-127.8 141.4 -18.1 -26.8 -29.9 19 20 A H - 0 0 4 46,-0.6 -7,-0.1 -2,-0.4 -9,-0.0 -0.155 52.7 -86.3 -60.7 149.3 -15.3 -28.8 -31.6 20 21 A P + 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.234 64.0 150.5 -57.3 142.0 -14.3 -27.7 -35.1 21 22 A H - 0 0 53 -3,-0.1 2,-0.3 47,-0.0 47,-0.1 -0.974 42.4-104.8-161.8 163.9 -16.4 -29.3 -37.9 22 23 A E - 0 0 111 -2,-0.3 3,-0.1 1,-0.2 128,-0.1 -0.712 16.4-157.9 -91.9 153.1 -17.7 -28.7 -41.3 23 24 A Q S S+ 0 0 44 1,-0.4 131,-0.4 -2,-0.3 -1,-0.2 0.675 84.6 22.6 -90.2-103.8 -21.3 -27.8 -42.1 24 25 A A S S- 0 0 49 129,-0.3 -1,-0.4 131,-0.1 2,-0.3 -0.374 87.7-173.4 -60.2 138.3 -21.9 -28.8 -45.8 25 26 A T - 0 0 17 127,-2.6 129,-0.0 2,-0.1 -1,-0.0 -0.979 38.6-151.7-137.9 149.2 -19.3 -31.4 -46.6 26 27 A K + 0 0 208 -2,-0.3 -1,-0.1 2,-0.0 127,-0.0 0.535 69.7 109.3 -90.2 -9.1 -18.2 -33.4 -49.7 27 28 A S - 0 0 32 125,-0.1 -2,-0.1 1,-0.1 3,-0.1 -0.287 65.0-133.4 -65.6 148.8 -17.1 -36.3 -47.4 28 29 A G - 0 0 39 1,-0.2 -1,-0.1 43,-0.0 -2,-0.0 -0.371 49.7 -54.2 -88.3 178.1 -19.0 -39.5 -47.5 29 30 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.191 60.2-178.3 -58.4 144.7 -20.1 -41.3 -44.3 30 31 A K - 0 0 66 39,-0.2 43,-2.6 -25,-0.1 2,-0.7 -0.918 36.4-109.9-134.9 160.9 -17.5 -42.2 -41.6 31 32 A V E -ab 7 73A 1 -25,-2.5 -23,-2.5 -2,-0.3 2,-0.6 -0.894 39.7-156.4 -87.9 112.3 -17.3 -43.9 -38.3 32 33 A V E -ab 8 74A 6 41,-3.2 43,-2.8 -2,-0.7 2,-0.5 -0.848 4.7-151.5-102.2 117.2 -16.6 -41.0 -36.0 33 34 A E E +ab 9 75A 53 -25,-3.2 -23,-2.5 -2,-0.6 2,-0.3 -0.757 20.1 168.5 -98.2 130.3 -14.9 -42.0 -32.8 34 35 A F E - b 0 76A 4 41,-2.4 43,-2.5 -2,-0.5 2,-0.4 -0.915 16.4-156.5-129.9 157.7 -15.3 -40.1 -29.5 35 36 A T E - b 0 77A 81 -25,-0.3 2,-0.3 -2,-0.3 -23,-0.2 -0.997 9.2-177.1-134.5 140.2 -14.3 -40.8 -25.9 36 37 A M E - b 0 78A 0 41,-2.4 43,-2.5 -2,-0.4 2,-0.5 -0.994 11.5-154.0-133.8 146.0 -15.8 -39.3 -22.7 37 38 A T E - b 0 79A 54 -2,-0.3 21,-2.4 41,-0.2 22,-0.3 -0.971 18.8-130.4-121.8 124.7 -14.8 -39.9 -19.1 38 39 A I E -D 57 0B 2 41,-2.9 2,-0.4 -2,-0.5 19,-0.2 -0.490 22.6-170.6 -77.2 140.2 -17.3 -39.5 -16.3 39 40 A E E -D 56 0B 86 17,-2.6 17,-1.7 -2,-0.2 2,-0.4 -0.945 10.2-160.7-133.9 117.9 -16.3 -37.4 -13.3 40 41 A E E +D 55 0B 31 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.798 32.1 150.7 -87.1 134.9 -18.3 -37.1 -10.1 41 42 A K E -D 54 0B 61 13,-1.8 13,-2.0 -2,-0.4 2,-0.4 -0.975 50.1-106.5-163.5 151.2 -17.4 -34.0 -8.2 42 43 A K E -D 53 0B 84 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.687 42.3-169.7 -78.3 130.7 -18.7 -31.4 -5.8 43 44 A M E -D 52 0B 39 9,-2.7 9,-2.5 -2,-0.4 2,-0.5 -0.962 25.0-127.8-127.1 142.7 -19.3 -28.1 -7.6 44 45 A V E +D 51 0B 75 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.774 28.5 179.9 -89.7 125.8 -20.0 -24.6 -6.4 45 46 A I + 0 0 0 5,-2.6 172,-2.8 -2,-0.5 2,-0.3 0.500 52.8 30.3-113.2 -5.8 -23.1 -23.4 -8.3 46 47 A D S > S- 0 0 7 4,-0.7 3,-1.1 170,-0.2 164,-0.0 -0.875 82.7 -97.5-148.4-179.7 -23.9 -19.9 -7.0 47 48 A D T 3 S+ 0 0 139 -2,-0.3 -3,-0.0 1,-0.3 -1,-0.0 0.601 114.9 58.9 -81.6 -12.1 -22.4 -16.8 -5.6 48 49 A K T 3 S- 0 0 150 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.082 119.3-100.7-104.4 19.9 -23.1 -17.7 -2.0 49 50 A G < + 0 0 45 -3,-1.1 -2,-0.1 1,-0.2 2,-0.1 0.575 61.5 163.3 80.2 12.9 -21.1 -20.9 -2.0 50 51 A T - 0 0 10 -6,-0.1 -5,-2.6 1,-0.0 -4,-0.7 -0.419 24.9-148.4 -61.5 139.3 -23.9 -23.4 -2.4 51 52 A T E -D 44 0B 18 136,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.813 11.4-155.6-114.4 152.0 -22.6 -26.7 -3.5 52 53 A L E -D 43 0B 15 -9,-2.5 -9,-2.7 -2,-0.3 2,-1.4 -0.989 22.3-132.1-119.8 130.0 -24.0 -29.5 -5.7 53 54 A Q E -D 42 0B 23 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.752 50.2-168.3 -77.1 94.0 -22.9 -33.1 -5.5 54 55 A A E -D 41 0B 0 -13,-2.0 -13,-1.8 -2,-1.4 2,-0.4 -0.440 29.0-157.0 -96.0 160.7 -22.5 -33.2 -9.2 55 56 A M E +D 40 0B 0 86,-2.2 2,-0.3 -15,-0.2 -15,-0.2 -0.996 24.8 179.1-136.3 131.7 -22.0 -35.9 -11.9 56 57 A T E -D 39 0B 0 -17,-1.7 -17,-2.6 -2,-0.4 2,-0.6 -0.944 35.8-127.6-135.6 150.2 -20.6 -35.0 -15.3 57 58 A F E > S-DE 38 60B 0 3,-0.7 3,-1.4 85,-0.4 -19,-0.2 -0.896 103.3 -9.1 -85.9 123.5 -19.4 -36.2 -18.6 58 59 A N T 3 S- 0 0 71 -21,-2.4 -1,-0.2 -2,-0.6 -20,-0.1 0.621 121.8 -68.8 65.2 21.2 -15.9 -34.9 -19.1 59 60 A G T 3 S+ 0 0 16 -22,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.477 109.5 96.3 84.5 1.1 -15.9 -32.7 -16.0 60 61 A S B < S-E 57 0B 25 -3,-1.4 -3,-0.7 82,-0.1 -1,-0.2 -0.877 73.0-109.9-128.6 149.3 -18.4 -30.1 -17.4 61 62 A M S S+ 0 0 6 -2,-0.3 2,-0.1 153,-0.2 111,-0.1 -0.998 108.4 27.3-113.2 120.7 -22.1 -29.3 -17.3 62 63 A P S S- 0 0 0 0, 0.0 83,-0.2 0, 0.0 3,-0.1 0.715 102.4-120.1 -71.6 174.5 -23.2 -29.9 -19.9 63 64 A G - 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