==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-JUN-06 2IWK . COMPND 2 MOLECULE: NITROUS OXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER CYCLOCLASTES; . AUTHOR K.PARASKEVOPOULOS,S.V.ANTONYUK,R.G.SAWERS,R.R.EADY, . 1180 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 814 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 363 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 2 0.2 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 . 129 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.6 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 2 0 2 0 3 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 2 0 0 2 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 . 10 6 6 10 13 15 6 0 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 . 0 0 10 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 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 8 A A 0 0 83 0, 0.0 425,-0.1 0, 0.0 427,-0.0 0.000 360.0 360.0 360.0 168.5 -48.1 18.3 5.2 2 9 A D - 0 0 122 2,-0.1 424,-0.1 424,-0.0 2,-0.0 0.927 360.0-119.4 -91.9 -55.2 -44.8 20.0 5.2 3 10 A G + 0 0 17 1,-0.3 2,-0.1 433,-0.0 433,-0.1 -0.185 60.8 87.9-175.7-102.2 -41.9 18.4 7.0 4 11 A S - 0 0 75 28,-0.1 2,-0.5 26,-0.1 -1,-0.3 0.010 50.1-145.5 137.2 98.8 -40.5 20.0 9.4 5 12 A V - 0 0 26 27,-0.1 3,-0.1 26,-0.1 6,-0.1 -0.938 27.1-140.5-129.2 110.1 -40.2 21.0 13.1 6 13 A A > - 0 0 55 -2,-0.5 3,-2.4 1,-0.2 1021,-0.1 -0.219 39.1 -80.0 -65.9 154.2 -39.1 24.5 14.1 7 14 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.295 121.0 21.4 -51.8 128.6 -36.8 25.3 17.0 8 15 A G T 3 S+ 0 0 41 1,-0.4 2,-0.3 993,-0.3 -2,-0.1 0.134 102.8 103.0 96.2 -21.6 -38.9 25.1 20.2 9 16 A K < - 0 0 142 -3,-2.4 -1,-0.4 992,-0.0 2,-0.3 -0.665 65.8-132.0 -87.7 151.3 -41.7 23.0 18.7 10 17 A L - 0 0 79 -2,-0.3 -4,-0.1 992,-0.1 992,-0.1 -0.681 23.2 -99.9 -99.1 157.9 -41.9 19.3 19.4 11 18 A D - 0 0 5 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.339 26.2-130.4 -64.6 157.6 -42.3 16.4 17.1 12 19 A D S S+ 0 0 97 18,-1.2 2,-0.3 1,-0.1 -1,-0.1 0.667 83.5 25.2 -83.6 -23.3 -45.9 15.0 16.8 13 20 A Y E S-A 30 0A 41 17,-2.0 17,-2.5 438,-0.2 2,-0.4 -0.993 71.1-123.1-143.1 149.8 -44.9 11.3 17.3 14 21 A Y E -AB 29 450A 12 436,-2.6 436,-2.9 -2,-0.3 2,-0.4 -0.764 26.7-154.8 -82.7 137.5 -42.3 9.1 18.8 15 22 A G E -AB 28 449A 0 13,-2.7 13,-2.3 -2,-0.4 2,-0.5 -0.933 4.3-160.6-113.8 135.2 -40.6 6.7 16.4 16 23 A F E -AB 27 448A 0 432,-2.8 432,-2.1 -2,-0.4 2,-0.4 -0.981 18.5-167.9-119.7 114.5 -39.0 3.5 17.7 17 24 A W E -AB 26 447A 3 9,-2.9 9,-2.5 -2,-0.5 430,-0.2 -0.842 19.2-137.2-112.7 134.7 -36.5 2.2 15.2 18 25 A S - 0 0 0 428,-2.2 68,-0.2 -2,-0.4 7,-0.1 -0.313 11.9-160.3 -70.2 169.7 -34.7 -1.1 14.9 19 26 A S > - 0 0 0 66,-1.0 3,-2.1 1,-0.3 67,-0.2 0.229 16.9-148.6-141.7 12.0 -31.0 -0.8 13.9 20 27 A G B > S+D 85 0B 0 65,-2.2 65,-2.5 1,-0.3 3,-2.2 -0.216 78.4 4.8 55.7-134.7 -30.2 -4.2 12.6 21 28 A Q T 3 S+ 0 0 2 1142,-0.3 62,-0.5 63,-0.3 -1,-0.3 0.539 117.0 77.4 -60.2 -10.6 -26.6 -5.3 13.2 22 29 A T T < S- 0 0 12 -3,-2.1 615,-0.4 615,-0.2 -1,-0.3 0.857 91.7-145.1 -68.2 -27.1 -25.9 -2.1 15.3 23 30 A G < + 0 0 0 -3,-2.2 19,-2.8 1,-0.3 18,-0.7 0.543 57.0 106.6 78.3 8.4 -27.8 -4.0 18.0 24 31 A E E - C 0 40A 9 17,-0.2 2,-0.4 16,-0.2 -1,-0.3 -0.731 67.1-123.1-113.1 164.3 -29.5 -0.9 19.6 25 32 A M E - C 0 39A 0 14,-2.8 14,-3.5 -2,-0.2 2,-0.4 -0.878 28.4-153.9-101.8 138.1 -33.0 0.6 19.6 26 33 A R E -AC 17 38A 5 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.5 -0.920 5.3-150.8-112.1 143.4 -33.3 4.2 18.3 27 34 A I E +AC 16 37A 0 10,-2.7 9,-2.1 -2,-0.4 10,-1.7 -0.964 22.0 179.6-112.6 125.5 -35.9 6.8 19.2 28 35 A L E -AC 15 35A 7 -13,-2.3 -13,-2.7 -2,-0.5 2,-0.4 -0.774 26.6-122.4-115.9 160.1 -36.7 9.4 16.5 29 36 A G E >> -AC 14 34A 0 5,-2.2 4,-2.1 -2,-0.3 5,-0.5 -0.914 37.4-116.7 -96.2 142.2 -39.1 12.3 16.3 30 37 A I E 45S+A 13 0A 2 -17,-2.5 -17,-2.0 -2,-0.4 -18,-1.2 -0.982 89.4 14.4-120.8 137.1 -41.7 12.3 13.5 31 38 A P T 45S+ 0 0 8 0, 0.0 -1,-0.2 0, 0.0 393,-0.1 -0.973 126.0 55.0 -93.1 8.0 -42.1 14.1 11.2 32 39 A S T 45S- 0 0 16 -28,-0.1 -2,-0.2 1,-0.1 -28,-0.1 0.773 87.5-146.3 -63.3 -27.4 -38.6 15.7 11.7 33 40 A M T <5 + 0 0 18 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.687 44.4 149.8 63.7 25.4 -37.0 12.2 11.4 34 41 A R E < -C 29 0A 25 -5,-0.5 -5,-2.2 591,-0.1 2,-0.7 -0.618 52.3-116.1 -85.9 144.3 -34.3 13.4 13.9 35 42 A E E +C 28 0A 37 -2,-0.3 -7,-0.3 995,-0.3 3,-0.1 -0.717 32.9 177.5 -83.4 114.8 -32.7 10.8 16.2 36 43 A L E - 0 0 1 -9,-2.1 2,-0.3 -2,-0.7 -8,-0.2 0.797 60.9 -3.7 -83.1 -35.5 -33.5 11.7 19.8 37 44 A M E -C 27 0A 5 -10,-1.7 -10,-2.7 993,-0.1 2,-0.4 -0.991 49.7-140.3-158.7 154.0 -31.9 8.8 21.6 38 45 A R E -C 26 0A 8 -2,-0.3 -12,-0.2 -12,-0.2 -3,-0.0 -0.985 17.0-162.4-117.7 134.4 -30.0 5.5 21.3 39 46 A V E -C 25 0A 1 -14,-3.5 -14,-2.8 -2,-0.4 2,-0.2 -0.966 17.4-135.3-119.6 111.2 -30.9 2.7 23.7 40 47 A P E +C 24 0A 4 0, 0.0 82,-0.6 0, 0.0 -16,-0.2 -0.501 39.2 150.2 -70.5 141.8 -28.3 0.0 24.0 41 48 A V S S+ 0 0 0 -18,-0.7 -17,-0.2 -2,-0.2 -18,-0.1 0.552 78.3 1.9-130.5 -68.0 -29.6 -3.6 23.9 42 49 A F S S+ 0 0 1 -19,-2.8 2,-0.2 39,-0.1 -18,-0.2 0.445 113.4 88.6-105.7 -8.6 -27.3 -6.1 22.4 43 50 A N S S- 0 0 17 -20,-0.7 2,-0.7 39,-0.1 39,-0.2 -0.508 81.9-113.9 -87.3 158.0 -24.4 -3.7 21.7 44 51 A R - 0 0 12 37,-0.6 2,-0.8 591,-0.4 591,-0.4 -0.875 33.7-152.1 -92.8 114.4 -21.5 -2.7 24.0 45 52 A C > - 0 0 11 5,-1.9 4,-2.0 -2,-0.7 5,-0.3 -0.782 13.4-167.6 -99.4 106.5 -22.1 1.0 24.6 46 53 A S T 4 S+ 0 0 3 -2,-0.8 567,-0.2 567,-0.4 -1,-0.2 0.810 86.5 51.9 -57.9 -30.7 -18.9 2.9 25.3 47 54 A A T 4 S+ 0 0 0 566,-0.2 -1,-0.2 1,-0.1 566,-0.1 0.943 120.8 24.2 -74.1 -50.2 -20.9 5.9 26.5 48 55 A T T 4 S- 0 0 10 499,-0.2 500,-2.0 2,-0.1 -2,-0.2 0.571 99.8-116.1 -98.4 -15.6 -23.3 4.4 29.1 49 56 A G >X + 0 0 0 -4,-2.0 3,-2.6 1,-0.3 4,-2.0 0.469 53.4 162.5 88.9 0.9 -21.4 1.4 30.1 50 57 A W T 34 S+ 0 0 20 1,-0.3 -5,-1.9 -5,-0.3 -1,-0.3 -0.369 70.6 29.6 -55.0 126.1 -24.1 -1.0 28.8 51 58 A G T 34 S+ 0 0 12 2,-0.2 -1,-0.3 -7,-0.2 28,-0.1 0.260 125.3 47.4 100.5 -16.3 -22.3 -4.4 28.6 52 59 A Q T <4 S+ 0 0 23 -3,-2.6 506,-0.5 -7,-0.1 -2,-0.2 0.551 82.1 96.5-126.0 -21.2 -19.9 -3.7 31.4 53 60 A T B X S-E 557 0C 12 -4,-2.0 4,-2.4 504,-0.1 504,-0.3 -0.331 78.3-123.0 -63.0 150.6 -21.9 -2.3 34.3 54 61 A N H > S+ 0 0 51 502,-2.4 4,-2.0 1,-0.2 5,-0.2 0.869 112.9 55.2 -59.5 -34.9 -22.9 -4.9 37.0 55 62 A E H > S+ 0 0 10 501,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.911 111.5 43.9 -68.5 -35.1 -26.6 -4.0 36.5 56 63 A S H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.889 110.4 53.6 -77.6 -40.1 -26.3 -4.7 32.7 57 64 A I H X S+ 0 0 29 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.909 106.2 53.9 -58.2 -42.8 -24.3 -7.9 33.1 58 65 A R H X S+ 0 0 123 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.926 109.3 49.2 -56.1 -46.8 -27.0 -9.3 35.4 59 66 A I H < S+ 0 0 17 -4,-1.4 66,-0.6 1,-0.2 3,-0.4 0.921 112.6 46.4 -61.9 -45.4 -29.6 -8.6 32.8 60 67 A H H < S+ 0 0 8 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.880 116.7 43.8 -63.6 -39.8 -27.6 -10.3 30.0 61 68 A Q H >< S+ 0 0 83 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.598 82.9 97.1 -87.2 -11.3 -26.8 -13.4 32.2 62 69 A R T 3< S+ 0 0 103 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.1 0.846 102.3 16.9 -48.5 -46.6 -30.2 -14.1 33.8 63 70 A T T 3 S+ 0 0 28 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.297 87.9 143.1-113.9 6.1 -31.3 -16.8 31.3 64 71 A M < - 0 0 27 -3,-0.9 2,-0.1 -4,-0.2 -3,-0.1 -0.255 46.7-128.8 -57.8 128.7 -28.0 -17.7 29.7 65 72 A T > - 0 0 42 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.338 17.0-116.6 -73.6 156.9 -27.7 -21.4 28.8 66 73 A E H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.909 118.0 56.5 -60.5 -38.7 -24.6 -23.5 29.9 67 74 A K H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 107.3 46.6 -58.8 -45.7 -23.9 -24.0 26.3 68 75 A T H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.876 110.2 53.3 -63.4 -41.0 -23.7 -20.2 25.7 69 76 A K H X S+ 0 0 93 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.909 109.6 49.7 -61.4 -37.3 -21.5 -19.8 28.8 70 77 A K H X S+ 0 0 95 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.910 111.8 47.7 -66.6 -45.2 -19.2 -22.4 27.4 71 78 A Q H X S+ 0 0 6 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.942 113.9 46.1 -60.0 -52.9 -19.1 -20.7 24.0 72 79 A L H ><>S+ 0 0 5 -4,-2.9 5,-2.4 1,-0.2 3,-1.4 0.944 111.1 53.0 -60.6 -47.5 -18.4 -17.2 25.5 73 80 A A H ><5S+ 0 0 68 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.904 105.3 54.6 -51.0 -46.8 -15.7 -18.6 27.9 74 81 A A H 3<5S+ 0 0 41 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.660 112.0 45.2 -64.6 -18.5 -13.9 -20.2 24.9 75 82 A N T <<5S- 0 0 31 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.163 119.5-108.5-112.6 14.5 -13.8 -16.8 23.3 76 83 A G T < 5S+ 0 0 49 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.863 77.5 123.4 63.1 38.5 -12.8 -14.9 26.3 77 84 A K < - 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