==== 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 29-JUN-06 2IWF . 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) . 34718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 800 67.8 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 . 368 31.2 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 . 1 0.1 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 . 130 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.8 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 1 1 1 5 4 0 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 . 11 6 6 9 13 16 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 73 0, 0.0 434,-0.0 0, 0.0 432,-0.0 0.000 360.0 360.0 360.0 108.7 28.3 -31.8 5.0 2 9 A D - 0 0 134 1,-0.2 3,-0.1 434,-0.0 0, 0.0 0.406 360.0-153.4 9.4 -71.8 30.6 -28.8 4.6 3 10 A G + 0 0 12 1,-0.3 -1,-0.2 433,-0.0 2,-0.1 0.020 48.0 128.8 96.8 -25.3 28.2 -25.9 5.5 4 11 A S - 0 0 78 1,-0.0 2,-0.5 7,-0.0 -1,-0.3 -0.369 45.1-156.6 -78.1 146.1 30.1 -23.3 3.4 5 12 A V - 0 0 19 -3,-0.1 3,-0.1 -2,-0.1 6,-0.1 -0.976 22.5-134.1-120.0 111.4 28.5 -21.0 0.8 6 13 A A > - 0 0 49 -2,-0.5 3,-2.1 1,-0.2 2,-0.1 -0.162 37.0 -77.3 -63.0 154.4 31.0 -19.7 -1.7 7 14 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.358 122.5 18.9 -48.8 121.1 31.3 -16.0 -2.8 8 15 A G T 3 S+ 0 0 43 1,-0.4 2,-0.3 993,-0.4 -2,-0.1 0.568 104.4 106.6 86.6 9.3 28.5 -15.3 -5.3 9 16 A K < - 0 0 133 -3,-2.1 -1,-0.4 992,-0.1 2,-0.3 -0.874 64.9-126.9-112.1 152.4 26.5 -18.4 -4.2 10 17 A L - 0 0 94 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.1 -0.669 18.8-105.7-100.8 154.7 23.3 -18.1 -2.1 11 18 A D - 0 0 5 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.437 26.4-130.1 -66.2 148.9 22.2 -19.7 1.2 12 19 A D S S+ 0 0 98 18,-1.1 2,-0.4 1,-0.1 -1,-0.1 0.694 82.5 27.6 -79.9 -21.9 19.6 -22.5 0.8 13 20 A Y E S-A 30 0A 34 17,-2.0 17,-2.6 438,-0.2 2,-0.5 -0.996 71.5-120.5-141.1 152.2 17.3 -21.1 3.5 14 21 A Y E -AB 29 450A 12 436,-2.6 436,-3.1 -2,-0.4 2,-0.5 -0.779 30.0-155.4 -77.1 124.4 16.1 -18.0 5.2 15 22 A G E -AB 28 449A 0 13,-3.3 13,-2.1 -2,-0.5 2,-0.5 -0.896 4.2-162.2 -99.5 134.3 16.8 -18.2 8.9 16 23 A F E -AB 27 448A 0 432,-3.2 432,-2.2 -2,-0.5 2,-0.4 -0.970 17.5-168.5-120.4 112.9 14.6 -16.1 11.2 17 24 A W E -AB 26 447A 2 9,-2.3 9,-2.3 -2,-0.5 430,-0.2 -0.802 19.7-138.5-106.2 140.6 16.1 -15.7 14.6 18 25 A S - 0 0 0 428,-2.3 68,-0.2 -2,-0.4 7,-0.1 -0.363 9.9-162.4 -77.1 169.8 14.9 -14.4 17.9 19 26 A S > - 0 0 0 66,-1.0 3,-1.6 5,-0.3 2,-0.2 0.307 17.2-151.0-135.4 3.6 17.4 -12.3 19.9 20 27 A G B > S+D 85 0B 0 65,-2.8 65,-2.6 1,-0.3 3,-1.3 -0.371 79.2 8.8 65.1-125.6 16.0 -12.3 23.5 21 28 A Q T 3 S+ 0 0 2 1142,-0.3 62,-0.5 63,-0.3 -1,-0.3 0.611 117.2 74.6 -69.8 -13.0 16.8 -9.2 25.4 22 29 A T T < S- 0 0 10 -3,-1.6 615,-0.4 420,-0.2 -1,-0.3 0.883 91.9-146.9 -62.8 -38.2 18.2 -7.5 22.3 23 30 A G < + 0 0 0 -3,-1.3 19,-2.9 1,-0.3 20,-0.6 0.504 56.2 105.0 88.9 6.0 14.6 -7.1 21.3 24 31 A E E - C 0 40A 11 17,-0.2 2,-0.4 18,-0.2 -1,-0.3 -0.649 67.2-121.9-107.1 165.7 15.1 -7.4 17.5 25 32 A M E - C 0 39A 0 14,-2.6 14,-3.4 -2,-0.2 2,-0.3 -0.899 28.2-151.6-102.8 142.9 14.5 -10.1 14.9 26 33 A R E -AC 17 38A 3 -9,-2.3 -9,-2.3 -2,-0.4 2,-0.5 -0.848 6.7-148.3-112.4 150.8 17.5 -11.3 12.9 27 34 A I E +AC 16 37A 0 10,-3.4 9,-2.8 -2,-0.3 10,-1.8 -0.970 23.5 178.5-118.4 119.1 17.7 -12.8 9.4 28 35 A L E -AC 15 35A 7 -13,-2.1 -13,-3.3 -2,-0.5 2,-0.5 -0.747 28.1-122.1-110.4 159.3 20.4 -15.3 8.8 29 36 A G E >> -AC 14 34A 0 5,-2.2 4,-2.4 -2,-0.3 5,-0.7 -0.909 38.7-116.0 -95.4 128.6 21.4 -17.4 5.8 30 37 A I E 45S+A 13 0A 3 -17,-2.6 -17,-2.0 -2,-0.5 -18,-1.1 -0.911 90.0 8.9-101.8 138.7 21.4 -21.2 6.4 31 38 A P T 45S+ 0 0 9 0, 0.0 -1,-0.2 0, 0.0 393,-0.1 -0.914 125.4 60.4 -92.0 15.5 23.7 -23.1 6.3 32 39 A S T 45S- 0 0 18 -28,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.802 87.9-148.6 -67.0 -29.7 26.3 -20.3 6.2 33 40 A M T <5 + 0 0 19 -4,-2.4 2,-0.2 1,-0.2 -3,-0.2 0.663 44.2 145.7 66.6 22.9 24.9 -19.1 9.5 34 41 A R E < -C 29 0A 28 -5,-0.7 -5,-2.2 591,-0.1 2,-0.7 -0.592 55.2-115.4 -88.3 153.6 25.7 -15.5 8.6 35 42 A E E +C 28 0A 33 995,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.817 31.3 178.4 -92.6 115.9 23.5 -12.6 9.7 36 43 A L E - 0 0 0 -9,-2.8 2,-0.3 -2,-0.7 -8,-0.2 0.792 62.3 -11.0 -82.6 -32.7 21.9 -11.0 6.6 37 44 A M E -C 27 0A 5 -10,-1.8 -10,-3.4 993,-0.1 2,-0.4 -0.991 49.8-134.2-168.8 151.4 19.8 -8.4 8.5 38 45 A R E -C 26 0A 8 -2,-0.3 -12,-0.2 -12,-0.2 -3,-0.0 -0.985 16.3-161.6-115.1 133.8 18.4 -7.0 11.7 39 46 A V E -C 25 0A 1 -14,-3.4 -14,-2.6 -2,-0.4 2,-0.1 -0.927 17.4-135.8-117.3 110.8 14.8 -5.9 12.0 40 47 A P E +C 24 0A 3 0, 0.0 82,-0.6 0, 0.0 -16,-0.2 -0.446 39.7 150.4 -69.2 139.5 14.1 -3.7 14.9 41 48 A V S S- 0 0 0 -18,-0.6 -17,-0.2 -2,-0.1 73,-0.1 0.480 79.5 -0.9-129.1 -70.2 10.9 -4.6 16.8 42 49 A F S S+ 0 0 0 -19,-2.9 -18,-0.2 39,-0.1 2,-0.1 0.515 112.0 87.8-107.7 -10.7 11.1 -3.7 20.5 43 50 A N S S- 0 0 15 -20,-0.6 2,-0.8 39,-0.1 39,-0.2 -0.416 82.5-112.0 -86.1 164.1 14.6 -2.1 20.6 44 51 A R B -E 635 0C 7 37,-0.6 2,-0.6 591,-0.5 591,-0.5 -0.878 37.3-151.3 -98.1 103.1 15.6 1.5 19.9 45 52 A C > - 0 0 12 5,-1.7 4,-1.4 -2,-0.8 5,-0.1 -0.684 15.5-166.6 -87.0 121.5 17.6 1.2 16.7 46 53 A S T 4 S+ 0 0 4 -2,-0.6 567,-0.2 567,-0.4 -1,-0.2 0.846 85.8 51.7 -70.0 -36.2 20.3 3.8 16.2 47 54 A A T 4 S+ 0 0 0 566,-0.2 -1,-0.1 1,-0.2 566,-0.1 0.974 121.6 25.2 -69.1 -52.7 20.8 3.0 12.5 48 55 A T T 4 S- 0 0 8 499,-0.2 500,-2.2 2,-0.1 -1,-0.2 0.606 98.9-117.4 -91.6 -16.2 17.2 3.2 11.3 49 56 A G >X + 0 0 0 -4,-1.4 3,-3.1 1,-0.3 4,-2.2 0.466 54.6 160.0 86.8 1.3 15.5 5.5 13.7 50 57 A W T 34 + 0 0 18 1,-0.3 -5,-1.7 2,-0.2 -1,-0.3 -0.429 68.1 33.4 -58.1 126.0 13.1 2.8 14.8 51 58 A G T 34 S+ 0 0 5 2,-0.2 -1,-0.3 -7,-0.2 28,-0.1 0.222 124.7 45.4 103.6 -8.9 11.9 4.0 18.2 52 59 A Q T <4 S+ 0 0 21 -3,-3.1 506,-0.5 -7,-0.1 -2,-0.2 0.589 80.5 99.1-134.3 -24.1 11.9 7.6 17.2 53 60 A T B X S-F 557 0D 12 -4,-2.2 4,-2.3 1,-0.1 3,-0.4 -0.347 77.6-124.1 -58.8 145.3 10.4 8.0 13.7 54 61 A N H > S+ 0 0 52 502,-1.7 4,-2.0 1,-0.2 5,-0.2 0.859 112.3 59.1 -60.5 -32.0 6.8 9.1 13.9 55 62 A E H > S+ 0 0 9 501,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.863 109.1 41.5 -65.4 -36.9 5.9 6.0 11.8 56 63 A S H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.881 111.2 55.4 -81.1 -36.9 7.4 3.7 14.4 57 64 A I H X S+ 0 0 33 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.883 105.7 53.4 -59.9 -39.3 5.9 5.6 17.4 58 65 A R H X S+ 0 0 98 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.956 111.0 46.6 -60.5 -48.7 2.4 5.3 15.8 59 66 A I H < S+ 0 0 18 -4,-1.4 66,-0.6 1,-0.2 3,-0.4 0.926 114.5 47.2 -58.1 -49.5 3.0 1.5 15.6 60 67 A H H < S+ 0 0 5 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.862 117.3 41.5 -55.8 -44.0 4.2 1.3 19.2 61 68 A Q H >< S+ 0 0 88 -4,-2.4 3,-1.6 -5,-0.2 -1,-0.2 0.621 84.5 98.5 -85.4 -14.1 1.5 3.4 20.6 62 69 A R T 3< S+ 0 0 112 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.1 0.812 101.3 16.8 -50.6 -50.8 -1.5 2.0 18.7 63 70 A T T 3 S+ 0 0 29 -4,-0.4 -1,-0.3 62,-0.4 -2,-0.1 0.179 90.1 145.6-108.1 14.8 -2.8 -0.4 21.5 64 71 A M < - 0 0 21 -3,-1.6 -3,-0.1 1,-0.1 2,-0.0 -0.249 44.3-129.2 -61.7 134.6 -0.9 1.1 24.4 65 72 A T > - 0 0 44 1,-0.1 4,-2.3 63,-0.0 5,-0.1 -0.283 16.5-116.4 -79.2 168.8 -2.8 1.0 27.7 66 73 A E H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.867 117.1 53.1 -73.8 -38.7 -3.3 3.9 30.0 67 74 A K H > S+ 0 0 73 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.930 112.2 46.1 -60.0 -43.4 -1.3 2.3 32.8 68 75 A T H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 110.9 51.1 -68.3 -41.1 1.6 1.8 30.3 69 76 A K H X S+ 0 0 111 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.934 113.8 47.0 -57.0 -41.7 1.3 5.4 28.9 70 77 A K H X S+ 0 0 91 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.940 110.2 50.2 -66.6 -51.7 1.5 6.6 32.6 71 78 A Q H < S+ 0 0 5 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.920 112.4 48.8 -47.4 -47.5 4.4 4.4 33.5 72 79 A L H ><>S+ 0 0 4 -4,-2.4 5,-2.0 1,-0.2 3,-1.3 0.916 110.0 51.3 -66.7 -39.3 6.3 5.6 30.5 73 80 A A H ><5S+ 0 0 72 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.904 103.5 56.8 -66.1 -40.8 5.5 9.3 31.3 74 81 A A T 3<5S+ 0 0 44 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.518 112.2 45.7 -67.2 -6.3 6.8 9.0 34.9 75 82 A N T < 5S- 0 0 45 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 -0.026 120.2-102.1-126.4 23.5 10.1 7.9 33.4 76 83 A G T < 5S+ 0 0 50 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.891 78.7 131.8 60.7 43.5 10.6 10.4 30.6 77 84 A K < - 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0 0 0 10,-3.0 7,-2.1 -2,-0.3 8,-0.4 -0.234 39.7-136.9 -64.0 148.5 2.2 -17.5 9.2 92 99 A F E -K 97 0E 4 48,-0.5 53,-2.1 5,-0.2 2,-0.4 -0.821 20.6-174.2-111.6 142.6 0.6 -20.7 8.0 93 100 A T E > S-KL 96 144E 62 3,-2.9 3,-1.6 -2,-0.4 51,-0.3 -0.975 83.5 -23.5-125.7 123.9 -1.7 -21.7 5.2 94 101 A D T 3 S- 0 0 75 49,-3.2 48,-0.2 -2,-0.4 50,-0.1 0.874 127.5 -44.4 38.5 61.4 -2.9 -25.3 5.4 95 102 A G T 3 S+ 0 0 0 46,-2.3 298,-2.2 1,-0.2 2,-0.3 0.320 123.4 87.9 82.1 -5.0 -0.1 -26.7 7.6 96 103 A K E < S-K 93 0E 91 -3,-1.6 -3,-2.9 45,-0.2 -1,-0.2 -0.848 85.5 -95.0-123.8 154.1 2.7 -24.9 5.6 97 104 A Y E -K 92 0E 13 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.425 29.1-165.8 -63.9 145.7 4.4 -21.5 5.8 98 105 A D E - 0 0 31 -7,-2.1 -6,-0.1 3,-0.2 -1,-0.1 0.309 31.6-122.9-124.7 6.3 2.9 -18.9 3.5 99 106 A G E S+ 0 0 15 -8,-0.4 358,-0.1 2,-0.2 3,-0.1 0.527 80.3 106.4 74.2 10.2 5.5 -16.2 3.4 100 107 A R E S+ 0 0 72 1,-0.3 17,-2.4 -9,-0.2 18,-0.4 0.952 77.2 8.2 -87.2 -54.8 3.2 -13.4 4.6 101 108 A Y E - M 0 116E 51 15,-0.2 -10,-3.0 16,-0.1 2,-0.4 -0.948 49.1-148.9-135.3 146.1 4.0 -12.6 8.2 102 109 A L E -KM 90 115E 0 13,-2.8 13,-3.1 -2,-0.3 2,-0.4 -0.948 22.4-157.2-107.4 140.4 6.4 -13.3 11.0 103 110 A F E +KM 89 114E 1 -14,-3.4 -14,-2.6 -2,-0.4 2,-0.3 -0.921 14.6 171.0-120.5 141.7 5.1 -13.2 14.6 104 111 A M E -KM 88 113E 0 9,-2.2 9,-3.1 -2,-0.4 2,-0.2 -0.982 20.7-127.5-152.8 160.3 7.0 -12.6 17.9 105 112 A N E - 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