==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JUN-11 3SBQ . COMPND 2 MOLECULE: NITROUS-OXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; . AUTHOR A.POMOWSKI,W.G.ZUMFT,P.M.H.KRONECK,O.EINSLE . 1162 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 789 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 362 31.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.9 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 . 9 0.8 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 . 5 0.4 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 . 124 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 2 2 0 2 2 3 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 8 4 8 14 18 4 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 . 2 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 58 A Q 0 0 93 0, 0.0 417,-0.1 0, 0.0 419,-0.0 0.000 360.0 360.0 360.0 124.0 33.0 -2.3 8.9 2 59 A K + 0 0 79 1,-0.2 2,-1.4 2,-0.0 3,-0.0 0.353 360.0 149.9 36.6-118.3 30.2 -3.0 11.5 3 60 A I + 0 0 35 425,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.433 60.3 68.3 78.5 -57.2 26.9 -4.6 10.2 4 61 A H - 0 0 107 -2,-1.4 2,-0.5 582,-0.0 28,-0.1 -0.787 57.1-168.0-100.4 136.3 25.8 -6.5 13.3 5 62 A V - 0 0 17 -2,-0.4 3,-0.1 26,-0.1 6,-0.1 -0.949 19.7-152.8-119.6 106.3 24.7 -4.9 16.5 6 63 A G > - 0 0 20 -2,-0.5 3,-2.3 1,-0.2 1004,-0.1 -0.167 37.9 -63.0 -78.0 169.8 24.5 -7.4 19.4 7 64 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.278 125.9 14.2 -49.6 128.3 22.3 -7.5 22.5 8 65 A G T 3 S+ 0 0 46 976,-0.3 2,-0.3 1,-0.3 -2,-0.1 0.464 101.2 110.4 80.3 2.2 23.2 -4.4 24.6 9 66 A E < - 0 0 107 -3,-2.3 2,-0.3 975,-0.1 -1,-0.3 -0.807 62.4-130.0 -99.7 153.1 25.2 -2.6 21.9 10 67 A L - 0 0 53 -2,-0.3 -4,-0.1 975,-0.1 975,-0.1 -0.740 18.3-109.5-103.2 149.1 23.8 0.6 20.3 11 68 A D - 0 0 1 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.286 21.5-136.1 -60.1 159.6 23.4 1.5 16.6 12 69 A D S S+ 0 0 78 18,-1.4 432,-1.9 1,-0.1 2,-0.3 0.681 79.9 31.0 -95.4 -25.2 25.8 4.3 15.3 13 70 A Y E S-AB 30 443A 17 17,-2.4 17,-2.7 430,-0.2 2,-0.4 -0.954 70.3-128.2-131.8 152.5 23.3 6.3 13.3 14 71 A Y E -AB 29 442A 2 428,-2.8 428,-2.3 -2,-0.3 2,-0.4 -0.796 22.2-158.0 -87.2 142.9 19.6 7.2 13.4 15 72 A G E -AB 28 441A 0 13,-2.5 13,-3.4 -2,-0.4 2,-0.6 -0.995 3.4-160.4-120.4 132.2 17.7 6.6 10.1 16 73 A F E -AB 27 440A 0 424,-3.3 424,-1.8 -2,-0.4 2,-0.4 -0.966 16.7-167.0-113.1 111.7 14.4 8.5 9.5 17 74 A W E -AB 26 439A 1 9,-3.3 9,-2.8 -2,-0.6 422,-0.2 -0.826 20.7-121.6-104.8 135.8 12.4 6.6 6.9 18 75 A S E -A 25 0A 0 420,-2.0 7,-0.2 -2,-0.4 54,-0.1 -0.434 13.8-142.3 -62.3 147.9 9.4 7.9 5.0 19 76 A G > - 0 0 0 5,-1.4 3,-1.9 1,-0.3 4,-0.2 0.349 29.8-159.6 -90.9 2.3 6.3 5.8 5.5 20 77 A G G > - 0 0 0 51,-0.3 51,-2.4 1,-0.3 3,-1.5 -0.201 68.2 -4.4 51.9-131.2 5.3 6.3 1.8 21 78 A H G 3 S+ 0 0 1 413,-1.4 48,-0.5 1,-0.3 -1,-0.3 0.587 128.7 68.7 -73.4 -7.5 1.6 5.7 1.2 22 79 A Q G < S- 0 0 10 -3,-1.9 606,-0.5 412,-0.5 -1,-0.3 0.727 99.3-136.5 -85.0 -24.9 1.1 4.5 4.8 23 80 A G < + 0 0 0 -3,-1.5 19,-2.6 1,-0.3 20,-0.5 0.391 59.8 102.6 94.6 -3.5 1.7 8.1 6.0 24 81 A E - 0 0 6 17,-0.2 -5,-1.4 -5,-0.2 2,-0.4 -0.398 64.9-120.0 -96.3 177.2 4.0 7.8 9.1 25 82 A V E -AC 18 39A 0 14,-2.4 14,-3.2 -7,-0.2 2,-0.4 -0.958 26.6-150.9-112.8 140.9 7.8 8.4 9.7 26 83 A R E -AC 17 38A 3 -9,-2.8 -9,-3.3 -2,-0.4 2,-0.6 -0.948 2.4-148.6-115.7 137.7 9.8 5.5 10.9 27 84 A V E +AC 16 37A 0 10,-3.0 9,-3.0 -2,-0.4 10,-1.5 -0.922 23.2 178.9-105.7 121.0 12.9 5.8 13.1 28 85 A L E -AC 15 35A 9 -13,-3.4 -13,-2.5 -2,-0.6 2,-0.4 -0.769 27.4-124.0-116.1 160.9 15.5 3.0 12.5 29 86 A G E >> -AC 14 34A 0 5,-2.4 4,-2.3 -2,-0.3 5,-0.6 -0.898 39.1-116.5-100.0 140.6 18.9 2.3 14.0 30 87 A V E 45S+A 13 0A 0 -17,-2.7 -17,-2.4 -2,-0.4 -18,-1.4 -0.980 88.8 16.3-124.1 134.5 21.8 2.0 11.4 31 88 A P T 45S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 385,-0.1 -0.969 126.8 53.9 -88.2 1.1 23.6 -0.4 10.6 32 89 A S T 45S- 0 0 19 -28,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.799 89.1-147.2 -64.4 -27.9 21.2 -2.9 12.3 33 90 A M T <5 + 0 0 23 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.651 43.0 151.4 69.2 19.6 18.2 -1.5 10.2 34 91 A R E < -C 29 0A 24 -5,-0.6 -5,-2.4 1,-0.1 2,-0.6 -0.602 51.1-117.9 -81.0 139.3 15.9 -2.2 13.1 35 92 A E E +C 28 0A 34 -2,-0.3 -7,-0.3 978,-0.3 3,-0.1 -0.681 32.8 176.9 -81.3 116.3 12.8 -0.0 13.5 36 93 A L E - 0 0 2 -9,-3.0 2,-0.3 -2,-0.6 -8,-0.2 0.768 61.5 -2.9 -90.5 -29.6 13.0 1.8 16.8 37 94 A M E -C 27 0A 7 -10,-1.5 -10,-3.0 976,-0.1 2,-0.4 -0.987 53.1-138.8-160.8 149.9 9.8 4.0 16.7 38 95 A R E -C 26 0A 4 -2,-0.3 -12,-0.2 -12,-0.2 978,-0.1 -0.980 15.8-159.3-115.7 134.5 6.9 5.0 14.5 39 96 A I E -C 25 0A 1 -14,-3.2 -14,-2.4 -2,-0.4 68,-0.1 -0.950 16.5-138.0-114.8 110.8 5.9 8.6 14.4 40 97 A P + 0 0 1 0, 0.0 68,-0.6 0, 0.0 -16,-0.2 -0.430 39.2 149.3 -70.2 139.7 2.4 9.1 13.3 41 98 A V S S+ 0 0 0 -18,-0.3 -17,-0.2 -2,-0.1 -18,-0.1 0.436 76.4 1.3-130.6 -71.9 1.9 12.0 10.9 42 99 A F S S+ 0 0 0 -19,-2.6 -18,-0.2 2,-0.1 2,-0.1 0.596 116.7 82.3-101.8 -15.1 -0.8 11.7 8.2 43 100 A N S S- 0 0 8 -20,-0.5 2,-0.6 25,-0.1 25,-0.2 -0.450 84.8-116.2 -79.4 156.1 -2.0 8.3 9.4 44 101 A V - 0 0 8 23,-0.5 2,-0.7 582,-0.4 582,-0.4 -0.915 30.2-153.3 -93.3 122.1 -4.4 7.6 12.3 45 102 A D > - 0 0 6 5,-2.0 4,-1.7 -2,-0.6 5,-0.5 -0.869 13.6-166.2-105.0 113.6 -2.5 5.7 15.0 46 103 A S T 4 S+ 0 0 1 -2,-0.7 558,-0.2 558,-0.5 -1,-0.1 0.797 85.8 57.7 -61.2 -33.7 -4.6 3.5 17.3 47 104 A A T 4 S+ 0 0 0 1,-0.2 -1,-0.2 557,-0.1 557,-0.1 0.971 120.4 20.9 -67.9 -56.2 -1.7 3.1 19.8 48 105 A T T 4 S- 0 0 9 489,-0.2 490,-1.8 2,-0.1 -1,-0.2 0.624 103.9-117.3 -88.0 -18.6 -1.0 6.8 20.7 49 106 A G >X + 0 0 0 -4,-1.7 3,-2.9 488,-0.3 4,-2.4 0.587 50.8 168.4 88.1 10.2 -4.3 8.1 19.6 50 107 A W T 34 S+ 0 0 8 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.447 73.9 22.3 -55.7 117.7 -2.8 10.3 16.9 51 108 A G T 34 S+ 0 0 2 -2,-0.3 -1,-0.3 2,-0.2 -7,-0.1 0.175 124.6 58.0 101.9 -13.5 -5.8 11.5 14.9 52 109 A L T <4 S+ 0 0 27 -3,-2.9 496,-0.5 -7,-0.2 -2,-0.2 0.679 84.7 83.4-111.4 -36.6 -8.2 10.9 17.8 53 110 A T B X S-D 547 0B 10 -4,-2.4 4,-1.9 494,-0.1 494,-0.3 -0.327 81.6-121.2 -69.6 155.5 -6.8 13.0 20.7 54 111 A N H > S+ 0 0 57 492,-2.2 4,-1.9 2,-0.2 5,-0.2 0.849 112.7 54.9 -63.4 -35.0 -7.7 16.8 21.0 55 112 A E H > S+ 0 0 9 491,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.907 111.4 42.5 -67.4 -43.7 -3.9 17.6 20.8 56 113 A S H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.889 113.1 51.3 -66.2 -40.7 -3.3 15.8 17.5 57 114 A R H X S+ 0 0 105 -4,-1.9 4,-1.3 1,-0.2 7,-0.3 0.855 106.9 55.0 -74.3 -29.7 -6.5 17.0 15.9 58 115 A H H < S+ 0 0 130 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.916 110.0 46.7 -62.3 -46.2 -5.6 20.6 16.8 59 116 A I H < S+ 0 0 21 -4,-1.5 52,-0.4 1,-0.2 -2,-0.2 0.943 113.8 47.2 -61.7 -47.0 -2.2 20.2 15.0 60 117 A M H >< S- 0 0 8 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.747 92.2-173.3 -64.8 -25.4 -3.8 18.6 12.0 61 118 A G G >< - 0 0 35 -4,-1.3 3,-2.1 1,-0.2 -1,-0.2 -0.285 64.9 -13.9 60.8-146.7 -6.5 21.4 11.9 62 119 A D G > S+ 0 0 153 1,-0.3 3,-1.5 2,-0.1 -1,-0.2 0.787 131.3 71.4 -54.8 -27.4 -9.3 20.9 9.3 63 120 A S G X + 0 0 4 -3,-1.2 3,-2.0 1,-0.3 -1,-0.3 0.546 68.4 91.5 -71.1 -8.2 -7.1 18.1 7.7 64 121 A A G < S+ 0 0 6 -3,-2.1 -1,-0.3 -7,-0.3 -2,-0.1 0.688 73.0 72.6 -54.5 -18.1 -7.9 15.9 10.7 65 122 A K G < S+ 0 0 136 -3,-1.5 2,-0.4 -4,-0.1 -1,-0.3 0.597 82.3 83.4 -73.5 -13.3 -10.8 14.7 8.6 66 123 A F < - 0 0 25 -3,-2.0 1050,-0.1 1,-0.1 1051,-0.1 -0.777 58.0-167.7 -93.4 140.2 -8.5 12.7 6.2 67 124 A L + 0 0 35 -2,-0.4 -23,-0.5 1049,-0.3 2,-0.3 0.336 65.9 62.1-107.5 7.9 -7.3 9.3 7.3 68 125 A N + 0 0 0 -25,-0.2 2,-0.3 560,-0.1 -46,-0.1 -0.853 49.4 169.7-134.6 160.0 -4.6 9.0 4.7 69 126 A G - 0 0 1 -48,-0.5 2,-0.3 -2,-0.3 -45,-0.1 -0.949 22.6-142.1-157.8 176.2 -1.4 10.5 3.5 70 127 A D - 0 0 2 -2,-0.3 23,-3.1 -47,-0.1 2,-0.3 -0.774 24.5-176.9-150.2 93.5 1.5 9.8 1.1 71 128 A C + 0 0 0 -51,-2.4 -51,-0.3 -2,-0.3 366,-0.2 -0.685 18.0 154.5-103.1 151.1 4.9 10.8 2.2 72 129 A H + 0 0 5 19,-0.3 366,-1.8 -2,-0.3 -54,-0.2 0.601 56.9 56.4-137.2 -34.9 8.2 10.6 0.4 73 130 A H - 0 0 1 48,-0.2 2,-0.3 18,-0.1 18,-0.2 -0.796 51.3-176.4-130.1 89.2 10.8 13.1 1.5 74 131 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 16,-0.2 -0.681 13.7 177.0 -85.9 135.0 12.1 13.3 5.1 75 132 A H E -I 89 0C 1 14,-2.0 14,-2.6 -2,-0.3 2,-0.3 -0.999 21.6-138.4-145.5 137.7 14.6 16.1 5.8 76 133 A I E -I 88 0C 0 -2,-0.3 12,-0.2 12,-0.2 49,-0.1 -0.726 33.4-102.2 -99.3 142.6 16.4 17.3 9.0 77 134 A S E - 0 0 3 10,-2.6 7,-2.3 -2,-0.3 8,-0.7 -0.187 41.2-146.5 -65.4 154.4 16.9 21.0 9.8 78 135 A M E -I 83 0C 1 48,-0.4 53,-2.0 5,-0.3 2,-0.4 -0.897 19.7-163.1-130.0 150.9 20.3 22.4 9.1 79 136 A T E > S-IJ 82 130C 57 3,-3.0 3,-1.1 -2,-0.3 51,-0.3 -0.973 84.8 -17.8-132.4 119.2 22.7 25.0 10.5 80 137 A D T 3 S- 0 0 97 49,-2.9 48,-0.2 -2,-0.4 50,-0.1 0.911 129.6 -50.0 53.2 48.8 25.5 26.2 8.3 81 138 A G T 3 S+ 0 0 0 46,-2.5 304,-2.2 1,-0.2 305,-0.4 0.655 121.1 97.6 65.8 19.0 25.2 23.1 6.0 82 139 A K E < S-I 79 0C 81 -3,-1.1 -3,-3.0 45,-0.3 -1,-0.2 -0.954 83.1 -94.7-129.3 154.2 25.2 20.5 8.9 83 140 A Y E -I 78 0C 14 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.423 28.6-172.9 -64.1 135.4 22.3 18.8 10.6 84 141 A D E - 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