==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-APR-05 2BP8 . COMPND 2 MOLECULE: DISSIMILATORY COPPER-CONTAINING NITRITE . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER XYLOSOXIDANS; . AUTHOR M.A.HOUGH,M.J.ELLIS,S.ANTONYUK,R.W.STRANGE,G.SAWERS, . 669 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 21.8 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 . 68 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.7 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 . 9 1.3 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 . 12 2 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 . 2 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 0 145 0, 0.0 3,-1.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 117.3 23.3 25.9 20.2 2 3 A A G > + 0 0 4 1,-0.3 3,-1.6 2,-0.2 29,-0.1 0.742 360.0 71.4 -69.0 -28.9 25.2 23.9 17.6 3 4 A D G 3 S+ 0 0 123 1,-0.3 -1,-0.3 0, 0.0 28,-0.0 0.817 99.9 50.5 -54.3 -32.1 28.1 26.3 17.2 4 5 A K G < S+ 0 0 89 -3,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.413 92.0 96.0 -87.4 -3.2 29.2 25.2 20.7 5 6 A L S < S- 0 0 48 -3,-1.6 25,-0.1 -4,-0.1 2,-0.1 -0.514 81.2 -96.4 -90.4 157.6 29.2 21.4 20.2 6 7 A P - 0 0 82 0, 0.0 25,-2.3 0, 0.0 2,-0.3 -0.418 36.8-136.0 -65.5 147.2 32.1 19.1 19.3 7 8 A H E -a 31 0A 96 23,-0.2 2,-0.3 -2,-0.1 25,-0.2 -0.827 17.8-171.1-104.2 144.3 32.5 18.1 15.6 8 9 A T E -a 32 0A 58 23,-1.9 25,-3.0 -2,-0.3 2,-0.4 -0.983 14.2-142.3-131.7 141.8 33.2 14.6 14.3 9 10 A K E -a 33 0A 170 -2,-0.3 2,-0.4 23,-0.2 25,-0.2 -0.915 16.1-160.8-106.2 133.4 34.1 13.7 10.6 10 11 A V - 0 0 36 23,-2.4 2,-0.5 -2,-0.4 25,-0.3 -0.948 10.4-143.1-118.1 135.3 32.7 10.4 9.2 11 12 A T - 0 0 125 -2,-0.4 2,-0.1 23,-0.1 23,-0.1 -0.850 23.4-135.8 -94.0 124.8 34.0 8.5 6.2 12 13 A L - 0 0 30 -2,-0.5 2,-0.3 23,-0.2 54,-0.1 -0.361 13.0-151.2 -78.1 154.5 31.2 6.9 4.1 13 14 A V - 0 0 55 52,-0.3 52,-0.3 4,-0.1 6,-0.2 -0.894 24.4 -98.2-123.2 159.6 31.3 3.4 2.6 14 15 A A > - 0 0 67 -2,-0.3 3,-1.3 50,-0.1 49,-0.1 -0.489 56.3 -69.9 -77.9 140.1 29.6 1.9 -0.5 15 16 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.288 111.6 40.3 -52.6 150.8 26.3 -0.0 -0.4 16 17 A P T 3 S+ 0 0 26 0, 0.0 154,-2.1 0, 0.0 2,-0.0 -0.992 112.2 68.1 -86.1 5.4 25.3 -2.6 0.6 17 18 A Q S < S- 0 0 97 -3,-1.3 48,-0.4 152,-0.2 2,-0.4 -0.325 70.5-144.3 -75.7 162.9 27.5 -2.0 3.7 18 19 A V - 0 0 20 150,-0.4 150,-0.2 -3,-0.1 3,-0.1 -0.987 28.9-100.5-126.5 139.7 26.9 0.8 6.2 19 20 A H - 0 0 5 46,-0.6 -7,-0.1 -2,-0.4 -9,-0.0 -0.182 50.9 -85.9 -63.2 149.3 29.7 2.8 7.9 20 21 A P + 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.235 61.9 152.1 -59.5 143.9 30.6 1.8 11.5 21 22 A H - 0 0 56 -3,-0.1 2,-0.3 47,-0.0 47,-0.1 -0.971 43.0-103.3-162.6 159.7 28.6 3.4 14.2 22 23 A E - 0 0 110 -2,-0.3 3,-0.1 1,-0.2 132,-0.1 -0.739 18.8-158.5 -87.8 141.8 27.4 2.9 17.8 23 24 A Q S S+ 0 0 47 -2,-0.3 131,-0.3 1,-0.3 -1,-0.2 0.757 83.5 22.3 -78.1-102.5 23.8 1.9 18.5 24 25 A A S S- 0 0 51 129,-0.3 2,-0.3 131,-0.1 -1,-0.3 -0.454 85.7-175.2 -64.2 132.6 23.1 2.9 22.1 25 26 A S - 0 0 21 127,-2.4 129,-0.0 -3,-0.1 -1,-0.0 -0.966 37.3-154.0-130.7 150.4 25.7 5.7 23.1 26 27 A K + 0 0 111 -2,-0.3 -1,-0.1 2,-0.0 127,-0.0 0.526 67.1 112.6 -92.1 -10.8 26.6 7.6 26.2 27 28 A T - 0 0 58 125,-0.1 -2,-0.1 1,-0.1 3,-0.1 -0.227 64.9-129.9 -58.0 148.3 27.9 10.5 24.0 28 29 A G - 0 0 41 1,-0.2 -1,-0.1 43,-0.0 -2,-0.0 -0.390 51.5 -51.6 -86.4 175.9 26.1 13.8 24.0 29 30 A P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.194 60.1-173.6 -52.5 136.3 25.0 15.6 20.8 30 31 A K - 0 0 45 39,-0.1 43,-2.1 -25,-0.1 2,-0.7 -0.868 32.0-119.0-125.6 155.7 27.6 16.2 18.1 31 32 A V E -ab 7 73A 0 -25,-2.3 -23,-1.9 -2,-0.3 2,-0.6 -0.927 37.9-155.5 -87.7 114.0 27.8 18.1 14.7 32 33 A V E -ab 8 74A 10 41,-3.0 43,-2.7 -2,-0.7 2,-0.4 -0.870 3.6-150.7-105.5 119.8 28.5 15.2 12.4 33 34 A E E +ab 9 75A 44 -25,-3.0 -23,-2.4 -2,-0.6 2,-0.3 -0.762 21.1 165.1-100.0 129.6 30.3 16.1 9.1 34 35 A F E - b 0 76A 3 41,-2.2 43,-2.2 -2,-0.4 2,-0.3 -0.925 17.3-155.5-131.7 158.4 30.0 14.3 5.8 35 36 A T E - b 0 77A 86 -25,-0.3 2,-0.3 -2,-0.3 -23,-0.2 -0.999 10.2-179.4-136.2 143.6 30.8 15.0 2.1 36 37 A M E - b 0 78A 0 41,-2.2 43,-2.4 -2,-0.3 2,-0.4 -0.995 13.1-150.8-138.6 147.6 29.3 13.6 -1.1 37 38 A T E - b 0 79A 52 -2,-0.3 21,-2.2 41,-0.2 22,-0.3 -0.973 18.4-129.1-121.2 124.8 30.1 14.2 -4.8 38 39 A I E -D 57 0B 2 41,-2.1 2,-0.4 -2,-0.4 19,-0.2 -0.447 24.3-168.4 -69.3 140.2 27.5 13.9 -7.7 39 40 A E E -D 56 0B 81 17,-2.2 17,-2.1 -2,-0.1 2,-0.5 -0.981 13.0-158.5-134.2 121.9 28.5 11.7 -10.6 40 41 A E E +D 55 0B 37 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.870 32.7 155.4 -90.5 127.4 26.7 11.5 -14.0 41 42 A K E -D 54 0B 67 13,-1.6 13,-1.8 -2,-0.5 2,-0.3 -0.982 45.2-119.6-156.4 142.8 27.6 8.2 -15.7 42 43 A K E -D 53 0B 84 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.679 40.3-172.1 -78.3 138.8 26.2 5.7 -18.3 43 44 A M E -D 52 0B 38 9,-2.3 9,-2.5 -2,-0.3 2,-0.4 -0.994 27.1-124.0-141.4 141.4 25.7 2.2 -16.7 44 45 A V E +D 51 0B 93 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.712 27.8 178.6 -85.6 130.3 24.9 -1.4 -17.8 45 46 A I + 0 0 2 5,-2.2 172,-2.5 -2,-0.4 2,-0.2 0.408 52.5 23.5-116.9 -2.2 21.8 -2.6 -15.9 46 47 A D S > S- 0 0 28 4,-0.6 3,-0.8 170,-0.2 164,-0.0 -0.875 82.3 -90.3-153.0-177.1 21.0 -6.2 -17.2 47 48 A D T 3 S+ 0 0 152 -2,-0.2 -3,-0.0 1,-0.2 171,-0.0 0.497 115.5 60.7 -78.4 -10.9 22.3 -9.4 -19.0 48 49 A K T 3 S- 0 0 99 2,-0.0 -1,-0.2 0, 0.0 -4,-0.0 0.248 117.2-104.4 -98.4 2.7 21.4 -8.1 -22.5 49 50 A G < + 0 0 46 -3,-0.8 -2,-0.1 1,-0.2 2,-0.0 0.599 60.8 164.0 83.3 11.4 23.7 -5.0 -22.4 50 51 A T - 0 0 12 -6,-0.1 -5,-2.2 1,-0.0 -4,-0.6 -0.380 23.1-148.5 -62.3 140.3 21.0 -2.4 -21.8 51 52 A T E -D 44 0B 19 136,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.852 10.6-155.3-113.3 152.3 22.3 0.9 -20.6 52 53 A L E -D 43 0B 15 -9,-2.5 -9,-2.3 -2,-0.3 2,-1.2 -0.988 20.5-134.0-118.5 129.8 20.9 3.7 -18.3 53 54 A Q E -D 42 0B 22 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.761 49.0-168.1 -78.7 97.8 22.0 7.3 -18.5 54 55 A A E -D 41 0B 0 -13,-1.8 -13,-1.6 -2,-1.2 2,-0.4 -0.389 31.0-159.1-102.8 162.0 22.4 7.6 -14.8 55 56 A M E +D 40 0B 0 86,-1.9 2,-0.3 -15,-0.2 -15,-0.2 -0.992 25.8 172.0-138.0 131.8 22.9 10.2 -12.0 56 57 A T E -D 39 0B 0 -17,-2.1 -17,-2.2 -2,-0.4 2,-0.5 -0.919 39.0-118.2-139.9 159.5 24.2 9.2 -8.6 57 58 A F E > S-DE 38 60B 0 3,-0.7 3,-1.5 85,-0.4 -19,-0.2 -0.903 104.8 -9.3 -89.8 125.0 25.5 10.4 -5.2 58 59 A N T 3 S- 0 0 71 -21,-2.2 -1,-0.2 -2,-0.5 -20,-0.1 0.661 121.1 -70.2 61.0 19.8 29.1 9.1 -4.9 59 60 A G T 3 S+ 0 0 14 -22,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.485 108.8 99.9 81.9 2.0 29.0 7.0 -8.0 60 61 A S B < S-E 57 0B 29 -3,-1.5 -3,-0.7 82,-0.0 -1,-0.2 -0.864 71.9-110.9-121.1 152.6 26.6 4.3 -6.6 61 62 A M S S+ 0 0 10 -2,-0.3 2,-0.2 153,-0.2 111,-0.1 -0.997 108.4 27.4-114.9 117.5 22.9 3.4 -6.7 62 63 A P S S- 0 0 1 0, 0.0 83,-0.2 0, 0.0 3,-0.1 0.715 102.3-120.0 -74.6 176.7 21.7 3.9 -4.0 63 64 A G - 0 0 0 81,-2.3 83,-0.4 64,-0.2 -5,-0.1 -0.240 49.2 -75.3 -60.2 164.6 23.9 6.7 -2.5 64 65 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 82,-0.2 -0.254 47.6-109.3 -64.9 153.5 25.6 5.7 0.8 65 66 A T - 0 0 2 -48,-0.4 -46,-0.6 -52,-0.3 2,-0.5 -0.757 26.6-152.0 -86.1 128.3 23.7 5.5 4.0 66 67 A L E -f 147 0C 0 80,-1.9 82,-2.8 -2,-0.5 2,-0.4 -0.906 11.6-161.4 -98.9 129.3 24.5 8.3 6.6 67 68 A V E +f 148 0C 8 -2,-0.5 2,-0.2 80,-0.2 82,-0.2 -0.947 21.4 146.5-119.6 128.7 24.1 7.3 10.3 68 69 A V E -f 149 0C 3 80,-2.2 82,-2.5 -2,-0.4 2,-0.3 -0.810 41.2-103.1-138.3 179.6 23.7 9.7 13.3 69 70 A H E > -f 150 0C 22 -2,-0.2 3,-2.5 80,-0.2 50,-0.2 -0.849 45.8 -85.6-109.2 151.2 21.9 9.8 16.6 70 71 A E T 3 S+ 0 0 78 80,-2.4 50,-0.2 -2,-0.3 82,-0.1 -0.309 118.5 27.7 -55.0 127.7 18.7 11.8 17.6 71 72 A G T 3 S+ 0 0 18 48,-2.1 -1,-0.3 1,-0.4 49,-0.2 0.155 94.3 117.0 96.9 -17.8 19.7 15.3 18.6 72 73 A D < - 0 0 6 -3,-2.5 47,-2.6 47,-0.4 -1,-0.4 -0.297 63.3-126.5 -66.7 164.2 22.9 15.4 16.4 73 74 A Y E -bC 31 118A 38 -43,-2.1 -41,-3.0 45,-0.2 2,-0.5 -0.954 14.2-140.5-113.5 135.7 23.2 17.9 13.6 74 75 A V E -bC 32 117A 0 43,-2.7 43,-2.1 -2,-0.4 2,-0.5 -0.865 16.4-171.6 -92.8 128.4 24.0 16.7 10.1 75 76 A Q E -bC 33 116A 44 -43,-2.7 -41,-2.2 -2,-0.5 2,-0.5 -0.913 9.3-174.0-124.2 105.3 26.5 18.9 8.2 76 77 A L E -bC 34 115A 4 39,-2.1 39,-2.3 -2,-0.5 2,-0.6 -0.863 18.8-158.2-105.9 131.2 26.8 17.9 4.5 77 78 A T E -bC 35 114A 31 -43,-2.2 -41,-2.2 -2,-0.5 2,-0.5 -0.929 17.5-163.2-100.0 118.0 29.2 19.3 1.9 78 79 A L E -bC 36 113A 1 35,-2.5 35,-1.8 -2,-0.6 2,-0.4 -0.935 3.4-163.7-110.0 122.1 27.8 18.6 -1.6 79 80 A V E -bC 37 112A 32 -43,-2.4 -41,-2.1 -2,-0.5 33,-0.2 -0.897 12.7-168.7-113.8 126.8 30.1 18.8 -4.5 80 81 A N E - 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