==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-SEP-98 1N50 . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.NURIZZO,M.TEGONI,C.CAMBILLAU . 1077 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 707 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 339 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 98 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 5 5 0 4 0 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 6 2 10 20 15 0 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 0 0 1 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 6 A A > 0 0 42 0, 0.0 4,-1.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -50.0 35.0 7.5 60.2 2 7 A A H > + 0 0 28 1,-0.2 4,-1.7 2,-0.2 924,-0.1 0.758 360.0 58.3 -70.7 -25.7 34.2 8.7 56.7 3 8 A E H 4 S+ 0 0 63 2,-0.2 -1,-0.2 1,-0.2 582,-0.1 0.720 110.3 41.8 -74.5 -23.0 37.9 8.0 55.9 4 9 A Q H >4 S+ 0 0 122 -3,-0.5 3,-0.8 972,-0.2 -2,-0.2 0.704 109.6 59.3 -94.0 -24.6 37.5 4.3 57.0 5 10 A Y H 3< S+ 0 0 49 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.912 116.5 31.7 -67.9 -46.6 34.1 4.1 55.2 6 11 A Q T 3< S+ 0 0 66 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.1 -0.014 96.5 100.8-100.6 29.6 35.6 4.9 51.8 7 12 A G < + 0 0 35 -3,-0.8 -1,-0.2 577,-0.1 -2,-0.1 0.469 50.6 105.1 -96.2 -0.2 39.0 3.3 52.7 8 13 A A S S- 0 0 51 -3,-0.4 576,-0.3 1,-0.1 2,-0.0 -0.339 79.8 -86.8 -79.3 162.9 38.7 -0.1 50.9 9 14 A A - 0 0 47 1,-0.1 571,-0.2 574,-0.1 -1,-0.1 -0.310 44.7-108.9 -69.3 145.0 40.5 -1.0 47.7 10 15 A S - 0 0 13 569,-2.7 -1,-0.1 1,-0.1 573,-0.1 -0.465 21.5-124.8 -71.3 150.5 38.9 -0.1 44.4 11 16 A A S S+ 0 0 28 722,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.543 82.3 104.7 -73.5 -7.4 37.6 -3.1 42.4 12 17 A V S S- 0 0 6 567,-0.1 -2,-0.1 1,-0.1 571,-0.1 -0.616 75.6-126.4 -77.5 133.7 39.6 -2.0 39.5 13 18 A D > - 0 0 75 -2,-0.3 3,-2.4 1,-0.1 4,-0.2 -0.725 8.4-146.2 -85.2 115.8 42.8 -4.1 38.9 14 19 A P G > S+ 0 0 23 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.820 96.1 64.5 -48.3 -36.3 45.9 -1.9 38.7 15 20 A A G 3 S+ 0 0 74 1,-0.3 561,-0.0 3,-0.0 -2,-0.0 0.653 100.4 51.4 -67.7 -15.9 47.4 -4.3 36.1 16 21 A H G < S+ 0 0 117 -3,-2.4 2,-0.7 2,-0.1 -1,-0.3 0.303 87.1 91.9-101.8 4.5 44.7 -3.5 33.6 17 22 A V S < S- 0 0 1 -3,-1.8 2,-0.3 -4,-0.2 558,-0.0 -0.924 72.8-146.9-102.4 114.0 45.1 0.3 33.9 18 23 A V B -A 650 0A 85 632,-1.6 632,-1.6 -2,-0.7 2,-0.4 -0.668 13.8-145.0 -96.3 135.3 47.6 1.3 31.1 19 24 A R - 0 0 101 -2,-0.3 2,-0.3 630,-0.2 553,-0.0 -0.731 28.9-131.8 -83.8 131.7 50.2 4.0 30.9 20 25 A T + 0 0 68 -2,-0.4 2,-0.3 627,-0.1 627,-0.1 -0.701 52.1 86.7 -94.5 144.4 50.5 5.3 27.3 21 26 A N + 0 0 113 -2,-0.3 85,-0.0 84,-0.1 -2,-0.0 -0.872 7.9 127.8 156.1-179.5 53.8 5.8 25.4 22 27 A G + 0 0 62 1,-0.3 -1,-0.1 -2,-0.3 84,-0.1 0.513 55.6 143.3 110.6 24.0 56.4 4.2 23.2 23 28 A A - 0 0 8 1,-0.1 -1,-0.3 -3,-0.0 2,-0.2 -0.688 61.3 -91.7 -94.8 148.1 56.0 7.0 20.8 24 29 A P - 0 0 35 0, 0.0 81,-0.1 0, 0.0 -1,-0.1 -0.342 48.4-110.8 -62.2 124.1 58.9 8.6 18.8 25 30 A D + 0 0 145 -2,-0.2 2,-0.3 -3,-0.0 77,-0.0 -0.236 42.3 176.0 -59.2 134.8 60.4 11.5 20.7 26 31 A M - 0 0 10 -3,-0.1 5,-0.1 76,-0.1 -3,-0.0 -0.952 26.1-120.1-145.4 128.7 59.7 14.8 19.1 27 32 A S > - 0 0 62 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 0.077 37.1 -95.1 -57.8 172.4 60.7 18.3 20.4 28 33 A E H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.916 125.1 46.2 -58.8 -49.1 58.2 21.1 21.2 29 34 A S H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 113.7 50.4 -62.6 -38.0 58.4 22.8 17.9 30 35 A E H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.923 112.4 45.7 -65.8 -43.7 58.1 19.4 16.0 31 36 A F H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.860 115.6 47.0 -67.6 -37.5 55.0 18.4 18.0 32 37 A N H X S+ 0 0 60 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.849 109.1 53.2 -72.6 -36.0 53.5 21.8 17.5 33 38 A E H X S+ 0 0 84 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.931 114.1 44.0 -64.2 -40.1 54.2 21.9 13.8 34 39 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.903 111.0 53.3 -68.3 -46.0 52.5 18.5 13.5 35 40 A K H X S+ 0 0 17 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.824 107.3 52.2 -60.0 -37.3 49.6 19.5 15.7 36 41 A Q H X S+ 0 0 98 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.943 111.1 46.5 -65.4 -48.0 49.0 22.6 13.5 37 42 A I H X>S+ 0 0 10 -4,-1.8 4,-3.1 1,-0.2 5,-0.7 0.920 106.9 60.3 -60.7 -39.4 48.9 20.4 10.3 38 43 A Y H X>S+ 0 0 1 -4,-2.7 5,-2.9 1,-0.2 4,-1.6 0.900 111.7 35.5 -60.8 -45.7 46.6 18.0 12.0 39 44 A F H <5S+ 0 0 2 -4,-1.5 511,-2.7 3,-0.2 5,-0.3 0.833 119.6 49.9 -79.5 -28.1 43.7 20.5 12.7 40 45 A Q H <5S+ 0 0 94 -4,-2.1 -2,-0.2 509,-0.2 -3,-0.2 0.924 133.5 10.8 -73.2 -37.8 44.2 22.5 9.5 41 46 A R H <5S+ 0 0 70 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.782 133.6 28.0-113.1 -30.8 44.2 19.3 7.3 42 47 A C T >X< - 0 0 0 -4,-2.7 3,-0.6 -5,-0.3 -1,-0.1 -0.129 30.5 -62.0 87.9 176.3 38.2 14.5 14.7 48 53 A V T 3 S+ 0 0 4 1,-0.2 -1,-0.1 2,-0.1 -5,-0.1 0.878 137.0 34.4 -67.2 -43.4 39.8 15.9 17.8 49 54 A L T 3 S- 0 0 22 -3,-0.1 -1,-0.2 -6,-0.1 -2,-0.1 0.166 115.5-113.4 -98.4 14.5 40.4 12.6 19.5 50 55 A R S < S+ 0 0 1 -3,-0.6 8,-2.1 1,-0.1 -3,-0.2 0.761 90.2 102.7 57.3 38.1 41.1 10.9 16.1 51 56 A K + 0 0 74 -5,-0.4 -4,-0.2 6,-0.2 223,-0.1 0.096 50.1 93.9-130.5 25.3 38.0 8.5 16.1 52 57 A G + 0 0 7 -6,-3.4 -6,-0.2 -9,-0.1 -5,-0.2 0.663 68.6 72.1 -95.1 -19.2 35.7 10.3 13.6 53 58 A A S S- 0 0 30 -7,-0.4 2,-0.1 1,-0.1 -7,-0.1 -0.481 86.3 -99.7 -94.3 164.4 36.5 8.7 10.3 54 59 A T S S+ 0 0 78 -2,-0.2 -1,-0.1 27,-0.1 2,-0.1 -0.287 89.7 35.5 -71.2 171.3 35.6 5.3 9.0 55 60 A G S S- 0 0 70 -2,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.373 114.1 -12.1 77.9-164.9 38.3 2.6 9.2 56 61 A K S S- 0 0 109 1,-0.1 -3,-0.1 -2,-0.1 2,-0.1 -0.415 73.2-115.4 -76.4 142.2 40.7 2.3 12.1 57 62 A P - 0 0 32 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.393 18.8-122.6 -69.2 157.5 41.1 5.3 14.5 58 63 A L + 0 0 35 -8,-2.1 -7,-0.1 -12,-0.2 -2,-0.0 -0.181 65.8 133.7 -97.5 40.0 44.4 7.2 14.7 59 64 A T S >> S- 0 0 25 -9,-0.2 4,-2.3 -2,-0.2 3,-1.2 -0.645 71.8-103.0 -87.2 152.7 44.9 6.4 18.5 60 65 A P H 3> S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 5,-0.4 0.761 116.6 61.8 -44.5 -38.8 48.3 5.2 19.8 61 66 A D H 3> S+ 0 0 107 1,-0.2 4,-0.6 2,-0.2 -3,-0.0 0.934 116.4 31.7 -59.3 -42.6 47.2 1.6 20.2 62 67 A I H <> S+ 0 0 26 -3,-1.2 4,-2.4 2,-0.2 3,-0.4 0.945 118.8 50.8 -79.4 -51.2 46.6 1.4 16.4 63 68 A T H X S+ 0 0 0 -4,-2.3 4,-1.6 41,-0.3 8,-0.2 0.855 112.7 47.0 -57.9 -36.3 49.2 3.8 15.1 64 69 A Q H < S+ 0 0 59 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.779 109.8 54.9 -76.1 -25.9 52.0 2.2 17.1 65 70 A Q H < S+ 0 0 148 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.953 109.4 46.1 -70.6 -47.2 50.9 -1.2 15.9 66 71 A R H < S- 0 0 89 -4,-2.4 4,-0.4 1,-0.1 -2,-0.2 0.844 108.6-144.1 -62.4 -37.7 51.1 -0.2 12.2 67 72 A G X - 0 0 23 -4,-1.6 4,-1.7 -5,-0.2 5,-0.1 -0.107 24.6 -67.2 93.4 168.7 54.5 1.4 12.8 68 73 A Q H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.933 127.6 43.2 -59.6 -54.9 56.4 4.5 11.5 69 74 A Q H > S+ 0 0 139 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.846 110.5 54.6 -66.2 -35.6 56.8 3.4 7.8 70 75 A Y H > S+ 0 0 101 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.959 111.8 46.0 -62.9 -47.7 53.3 2.0 7.4 71 76 A L H X S+ 0 0 14 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.893 111.7 50.1 -59.2 -46.7 51.9 5.3 8.5 72 77 A E H X S+ 0 0 25 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.911 112.7 48.4 -61.3 -38.4 54.2 7.4 6.3 73 78 A A H X S+ 0 0 45 -4,-2.6 4,-2.4 1,-0.2 5,-0.4 0.913 113.5 46.4 -69.2 -42.2 53.3 5.2 3.3 74 79 A L H X S+ 0 0 50 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.935 113.3 46.6 -66.5 -49.5 49.6 5.6 4.1 75 80 A I H < S+ 0 0 21 -4,-3.1 11,-2.2 1,-0.2 12,-0.4 0.907 114.9 51.2 -58.8 -36.2 49.6 9.3 4.6 76 81 A T H < S+ 0 0 12 -4,-2.2 12,-2.1 -5,-0.3 11,-1.9 0.941 125.8 19.3 -66.7 -48.1 51.7 9.7 1.4 77 82 A Y H < S- 0 0 158 -4,-2.4 8,-0.2 1,-0.2 -2,-0.2 0.600 92.7-156.9-104.7 -10.1 49.6 7.7 -1.0 78 83 A G < - 0 0 15 -4,-2.5 -1,-0.2 -5,-0.4 7,-0.1 -0.244 21.2 -88.6 66.4-165.5 46.2 7.7 0.8 79 84 A T B >> -B 83 0B 47 4,-2.6 3,-0.7 -4,-0.1 4,-0.5 -0.971 19.3-117.4-142.1 159.1 43.6 5.0 0.1 80 85 A P T 34 S+ 0 0 132 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.560 103.3 75.7 -75.3 -3.4 40.7 4.6 -2.3 81 86 A L T 34 S- 0 0 146 2,-0.1 -27,-0.1 3,-0.0 -3,-0.0 -0.043 127.7 -66.7-100.4 33.7 38.3 4.6 0.6 82 87 A G T <4 S+ 0 0 42 -3,-0.7 -4,-0.0 1,-0.2 -1,-0.0 0.388 96.4 120.4 104.6 -3.9 38.2 8.3 1.4 83 88 A M B < -B 79 0B 34 -4,-0.5 -4,-2.6 -6,-0.0 -1,-0.2 -0.846 57.5-136.6 -98.1 107.1 41.8 8.9 2.7 84 89 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 -6,-0.2 -0.193 16.2-114.2 -59.4 154.0 43.5 11.6 0.5 85 90 A N > + 0 0 48 -8,-0.2 4,-0.9 1,-0.1 6,-0.3 -0.818 32.0 179.3 -94.2 109.8 47.1 11.2 -0.7 86 91 A W T 4 S+ 0 0 25 -11,-2.2 6,-2.8 -2,-0.7 5,-0.3 0.656 77.6 37.1 -85.8 -21.3 49.2 14.0 0.9 87 92 A G T 4 S+ 0 0 22 -11,-1.9 3,-0.3 -12,-0.4 -10,-0.2 0.850 115.2 50.3 -93.4 -50.6 52.6 13.1 -0.6 88 93 A S T 4 S+ 0 0 73 -12,-2.1 -2,-0.1 1,-0.3 -11,-0.1 0.889 113.5 47.2 -53.2 -46.0 51.7 12.0 -4.1 89 94 A S S < S- 0 0 68 -4,-0.9 -1,-0.3 -13,-0.4 -2,-0.1 0.791 112.0-122.9 -68.5 -28.9 49.6 15.1 -4.6 90 95 A G S S+ 0 0 57 -3,-0.3 -3,-0.2 2,-0.2 -2,-0.1 0.572 73.9 126.7 95.8 10.7 52.4 17.2 -3.2 91 96 A E S S+ 0 0 108 -5,-0.3 2,-0.3 -6,-0.3 -4,-0.2 0.926 74.3 26.6 -65.2 -49.7 50.4 18.8 -0.5 92 97 A L S S- 0 0 20 -6,-2.8 -2,-0.2 -16,-0.1 -1,-0.1 -0.849 84.1-117.8-115.3 155.1 52.8 17.9 2.4 93 98 A S > - 0 0 36 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.336 26.8-112.5 -84.4 168.2 56.5 17.3 2.3 94 99 A K H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.878 121.5 55.1 -67.9 -30.5 58.2 14.0 3.2 95 100 A E H > S+ 0 0 142 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.870 111.5 43.7 -68.2 -36.1 59.6 15.9 6.2 96 101 A Q H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.839 110.5 52.8 -78.0 -38.3 56.1 16.9 7.3 97 102 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.840 107.3 54.4 -65.2 -33.7 54.6 13.5 6.6 98 103 A T H X S+ 0 0 39 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.944 108.8 48.5 -65.1 -41.1 57.4 12.1 8.8 99 104 A L H X S+ 0 0 16 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.893 110.8 50.5 -66.2 -37.7 56.2 14.5 11.6 100 105 A M H X S+ 0 0 6 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.904 108.0 51.6 -67.0 -40.1 52.6 13.5 11.1 101 106 A A H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.909 114.6 43.8 -62.0 -41.4 53.4 9.8 11.4 102 107 A K H >< S+ 0 0 58 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.877 111.4 57.1 -69.9 -38.2 55.3 10.4 14.6 103 108 A Y H >< S+ 0 0 1 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.877 101.1 50.7 -61.7 -50.7 52.6 12.7 15.9 104 109 A I T 3< S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.3 -41,-0.3 0.398 98.5 70.3 -69.4 -2.0 49.6 10.4 15.7 105 110 A Q T < S+ 0 0 12 -3,-1.2 -1,-0.3 -42,-0.1 2,-0.2 0.436 91.6 75.7 -90.2 -4.6 51.7 7.8 17.7 106 111 A H S < S- 0 0 20 -3,-1.6 -43,-0.1 -4,-0.2 -85,-0.0 -0.636 102.4 -84.1-101.3 161.5 51.3 10.2 20.7 107 112 A T - 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