==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JAN-08 2VM4 . COMPND 2 MOLECULE: DISSIMILATORY COPPER-CONTAINING NITRITE . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER XYLOSOXIDANS; . AUTHOR M.A.HOUGH,S.V.ANTONYUK,R.W.STRANGE,R.R.EADY,S.S.HASNAIN . 334 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 65.0 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 21.9 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 11.4 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 . 18 5.4 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 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 A D > 0 0 123 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 115.1 -23.8 -24.9 19.8 2 3 A A G > + 0 0 4 1,-0.3 3,-1.1 2,-0.2 71,-0.1 0.711 360.0 71.9 -68.4 -22.9 -25.4 -22.6 17.3 3 4 A D G 3 S+ 0 0 117 1,-0.2 -1,-0.3 28,-0.0 28,-0.0 0.606 93.1 56.1 -68.7 -14.6 -28.6 -24.8 17.2 4 5 A K G < S+ 0 0 126 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.577 90.8 97.2 -92.0 -11.5 -29.4 -23.6 20.7 5 6 A L S < S- 0 0 44 -3,-1.1 2,-0.1 -4,-0.2 25,-0.1 -0.413 79.7-105.3 -84.8 152.2 -29.5 -19.9 19.8 6 7 A P - 0 0 78 0, 0.0 25,-2.1 0, 0.0 2,-0.3 -0.485 35.3-133.4 -64.6 141.8 -32.4 -17.6 18.9 7 8 A H E -a 31 0A 94 23,-0.2 2,-0.3 -2,-0.1 25,-0.2 -0.766 19.6-167.7 -92.4 144.1 -32.6 -16.7 15.2 8 9 A T E -a 32 0A 49 23,-2.9 25,-3.2 -2,-0.3 2,-0.5 -0.944 12.4-139.9-125.7 155.3 -33.1 -13.2 14.0 9 10 A K E -a 33 0A 166 -2,-0.3 2,-0.5 23,-0.2 25,-0.2 -0.968 14.4-160.9-119.4 122.0 -34.1 -12.0 10.5 10 11 A V - 0 0 34 23,-2.3 2,-0.6 -2,-0.5 25,-0.3 -0.878 10.4-144.8-106.1 131.2 -32.5 -8.9 9.0 11 12 A T - 0 0 122 -2,-0.5 2,-0.1 23,-0.1 23,-0.1 -0.822 24.3-137.2 -89.3 120.5 -33.9 -7.0 6.0 12 13 A L - 0 0 27 -2,-0.6 2,-0.3 23,-0.2 54,-0.1 -0.359 13.1-152.6 -77.4 155.8 -31.0 -5.6 3.9 13 14 A V - 0 0 53 52,-0.3 52,-0.4 4,-0.1 6,-0.2 -0.926 24.7 -99.5-126.4 155.5 -31.0 -2.1 2.4 14 15 A A > - 0 0 66 -2,-0.3 3,-1.2 50,-0.1 49,-0.1 -0.459 56.7 -70.9 -73.9 139.7 -29.3 -0.8 -0.7 15 16 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.265 111.5 43.1 -53.7 153.7 -25.9 1.1 -0.6 16 17 A P T 3 S+ 0 0 24 0, 0.0 154,-2.1 0, 0.0 2,-0.1 -0.994 112.7 67.4 -83.1 1.6 -24.8 3.7 0.4 17 18 A Q S < S- 0 0 96 -3,-1.2 48,-0.4 152,-0.2 2,-0.4 -0.356 71.6-143.7 -75.3 161.4 -27.0 3.1 3.4 18 19 A V - 0 0 20 150,-0.5 150,-0.2 -3,-0.1 3,-0.1 -0.989 29.3 -99.1-125.6 138.0 -26.5 0.3 5.9 19 20 A H - 0 0 4 46,-0.6 -7,-0.1 -2,-0.4 -9,-0.0 -0.115 52.8 -84.7 -55.9 147.0 -29.4 -1.6 7.5 20 21 A P + 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.257 65.0 153.4 -54.0 137.1 -30.4 -0.5 11.1 21 22 A H - 0 0 54 -3,-0.1 2,-0.3 47,-0.0 47,-0.1 -0.973 41.6-109.3-158.0 162.1 -28.3 -2.2 13.8 22 23 A E - 0 0 107 -2,-0.3 3,-0.1 1,-0.2 128,-0.1 -0.746 16.7-160.0 -89.1 145.6 -27.0 -1.7 17.3 23 24 A Q S S+ 0 0 41 1,-0.4 131,-0.4 -2,-0.3 -1,-0.2 0.723 82.8 22.9 -82.8-101.8 -23.3 -0.9 18.0 24 25 A A S S- 0 0 52 129,-0.3 -1,-0.4 131,-0.1 2,-0.3 -0.457 88.2-175.9 -60.4 136.4 -22.7 -1.9 21.7 25 26 A T - 0 0 21 127,-2.6 129,-0.0 -3,-0.1 -1,-0.0 -0.993 40.8-151.2-141.3 147.5 -25.4 -4.3 22.6 26 27 A K + 0 0 217 -2,-0.3 -1,-0.1 2,-0.0 2,-0.1 0.500 68.3 112.6 -90.1 -6.8 -26.7 -6.3 25.7 27 28 A S - 0 0 39 125,-0.1 -2,-0.1 1,-0.1 3,-0.1 -0.355 64.4-132.1 -67.0 142.1 -27.9 -9.1 23.4 28 29 A G - 0 0 41 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.344 50.8 -56.8 -79.8 175.6 -26.3 -12.5 23.6 29 30 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.145 59.6-174.5 -57.7 146.8 -25.2 -14.3 20.3 30 31 A K - 0 0 66 39,-0.2 43,-2.5 -25,-0.1 2,-0.7 -0.904 34.9-114.2-131.8 162.4 -27.9 -15.0 17.6 31 32 A V E -ab 7 73A 0 -25,-2.1 -23,-2.9 -2,-0.3 2,-0.6 -0.935 40.0-156.6 -88.5 110.9 -28.1 -16.8 14.3 32 33 A V E -ab 8 74A 6 41,-3.1 43,-3.0 -2,-0.7 2,-0.4 -0.860 4.9-149.7 -98.0 121.1 -28.7 -13.8 12.1 33 34 A E E +ab 9 75A 49 -25,-3.2 -23,-2.3 -2,-0.6 2,-0.3 -0.791 20.1 170.7 -99.0 131.3 -30.5 -14.7 8.8 34 35 A F E - b 0 76A 2 41,-2.6 43,-2.6 -2,-0.4 2,-0.4 -0.925 16.0-155.9-129.0 157.8 -30.0 -12.9 5.5 35 36 A T E - b 0 77A 76 -25,-0.3 2,-0.4 -2,-0.3 -23,-0.2 -0.996 9.7-177.9-130.5 138.5 -31.1 -13.5 1.9 36 37 A M E - b 0 78A 0 41,-2.4 43,-3.2 -2,-0.4 2,-0.5 -0.998 11.1-155.6-132.6 143.3 -29.5 -12.2 -1.2 37 38 A T E - b 0 79A 56 -2,-0.4 21,-1.6 41,-0.2 22,-0.3 -0.974 18.9-129.8-119.3 122.3 -30.6 -12.7 -4.8 38 39 A I E -D 57 0B 1 41,-2.9 2,-0.4 -2,-0.5 19,-0.2 -0.438 22.8-172.0 -69.9 135.8 -28.1 -12.5 -7.7 39 40 A E E -D 56 0B 83 17,-2.2 17,-1.5 -2,-0.2 2,-0.3 -0.943 10.3-160.7-133.6 115.9 -28.9 -10.3 -10.7 40 41 A E E +D 55 0B 27 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.732 31.5 151.6 -83.1 139.6 -26.8 -10.2 -13.9 41 42 A K E -D 54 0B 63 13,-2.2 13,-2.0 -2,-0.3 2,-0.4 -0.927 49.7-107.6-168.5 148.5 -27.6 -7.0 -15.9 42 43 A K E -D 53 0B 86 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.635 42.9-169.0 -76.0 129.5 -26.2 -4.5 -18.3 43 44 A M E -D 52 0B 41 9,-2.7 9,-2.5 -2,-0.4 2,-0.5 -0.956 25.8-125.4-125.1 145.9 -25.5 -1.2 -16.5 44 45 A V E +D 51 0B 74 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.794 30.3 179.3 -87.7 124.0 -24.6 2.3 -17.7 45 46 A I + 0 0 0 5,-2.6 172,-2.6 -2,-0.5 2,-0.3 0.473 52.5 29.8-112.2 -4.8 -21.3 3.2 -15.8 46 47 A D S > S- 0 0 6 4,-0.7 3,-0.9 170,-0.2 262,-0.0 -0.869 82.7 -96.5-147.8-179.3 -20.4 6.7 -17.1 47 48 A D T 3 S+ 0 0 137 -2,-0.3 -3,-0.0 1,-0.2 -1,-0.0 0.671 116.2 56.6 -77.9 -20.5 -21.7 10.0 -18.4 48 49 A K T 3 S- 0 0 147 2,-0.0 -1,-0.2 0, 0.0 -4,-0.0 0.400 119.9-100.9 -96.8 3.8 -21.1 9.1 -22.1 49 50 A G < + 0 0 42 -3,-0.9 -2,-0.1 1,-0.2 2,-0.0 0.566 60.0 163.7 94.2 10.1 -23.3 5.9 -21.9 50 51 A T - 0 0 12 -6,-0.1 -5,-2.6 1,-0.1 -4,-0.7 -0.346 25.1-146.3 -57.1 138.5 -20.6 3.2 -21.6 51 52 A T E -D 44 0B 19 136,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.812 10.8-156.0-109.2 154.2 -22.2 -0.1 -20.5 52 53 A L E -D 43 0B 15 -9,-2.5 -9,-2.7 -2,-0.3 2,-1.4 -0.997 22.6-132.0-120.8 130.3 -20.9 -2.9 -18.4 53 54 A Q E -D 42 0B 21 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.731 50.4-167.7 -77.0 94.0 -22.2 -6.4 -18.6 54 55 A A E -D 41 0B 0 -13,-2.0 -13,-2.2 -2,-1.4 2,-0.4 -0.438 28.2-157.3 -95.3 156.8 -22.5 -6.5 -14.8 55 56 A M E +D 40 0B 0 86,-2.1 2,-0.3 -15,-0.2 -15,-0.2 -0.998 24.9 179.2-132.2 132.7 -23.1 -9.2 -12.1 56 57 A T E -D 39 0B 0 -17,-1.5 -17,-2.2 -2,-0.4 2,-0.5 -0.938 35.8-128.1-136.3 151.4 -24.5 -8.2 -8.7 57 58 A F E > S-DE 38 60B 0 3,-0.6 3,-1.4 85,-0.4 -19,-0.2 -0.902 103.3 -8.7 -87.0 125.9 -25.6 -9.3 -5.3 58 59 A N T 3 S- 0 0 69 -21,-1.6 -1,-0.2 -2,-0.5 -20,-0.2 0.669 121.4 -70.0 59.7 19.4 -29.1 -7.8 -4.8 59 60 A G T 3 S+ 0 0 13 -22,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.404 108.8 96.3 88.2 -4.8 -29.1 -5.7 -7.9 60 61 A S B < S-E 57 0B 22 -3,-1.4 -3,-0.6 82,-0.0 -1,-0.2 -0.868 73.4-109.2-122.0 151.5 -26.5 -3.1 -6.6 61 62 A M S S+ 0 0 6 -2,-0.3 2,-0.2 153,-0.3 111,-0.1 -0.994 109.1 28.5-110.9 120.7 -22.7 -2.5 -6.8 62 63 A P S S- 0 0 1 0, 0.0 83,-0.3 0, 0.0 3,-0.1 0.714 103.7-117.9 -71.8 177.9 -21.5 -3.1 -4.1 63 64 A G - 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