==== 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 1N15 . 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) . 40384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 717 66.6 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 . 338 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.6 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 . 106 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 3 0 0 3 0 0 0 2 0 0 0 1 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 . 3 6 2 9 19 16 1 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 40 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -51.5 34.9 7.5 60.2 2 7 A A H > + 0 0 28 1,-0.2 4,-1.8 2,-0.2 924,-0.1 0.756 360.0 58.4 -71.5 -27.1 34.1 8.6 56.6 3 8 A E H 4 S+ 0 0 65 2,-0.2 -1,-0.2 1,-0.2 582,-0.1 0.692 110.1 41.8 -73.2 -23.0 37.7 8.0 55.8 4 9 A Q H >4 S+ 0 0 123 -3,-0.4 3,-0.8 972,-0.2 -2,-0.2 0.703 109.7 59.0 -93.9 -25.3 37.3 4.3 56.9 5 10 A Y H 3< S+ 0 0 50 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.941 116.5 32.3 -66.8 -48.8 33.9 4.0 55.1 6 11 A Q T 3< S+ 0 0 67 -4,-1.8 -1,-0.2 1,-0.2 579,-0.2 0.010 97.3 99.9 -98.3 29.7 35.4 4.9 51.8 7 12 A G < + 0 0 31 -3,-0.8 -1,-0.2 577,-0.1 -2,-0.1 0.483 50.2 103.1 -97.7 -2.2 38.8 3.2 52.6 8 13 A A S S- 0 0 49 -3,-0.4 576,-0.3 -4,-0.1 2,-0.1 -0.231 80.4 -83.4 -75.6 168.5 38.6 -0.2 50.8 9 14 A A - 0 0 46 1,-0.1 571,-0.2 574,-0.1 -1,-0.1 -0.385 45.2-107.1 -72.8 146.4 40.4 -1.0 47.6 10 15 A S - 0 0 14 569,-2.5 -1,-0.1 1,-0.1 573,-0.1 -0.468 21.1-127.8 -69.4 147.8 38.8 -0.1 44.3 11 16 A A S S+ 0 0 28 722,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.605 82.4 105.3 -72.2 -12.1 37.5 -3.1 42.4 12 17 A V S S- 0 0 5 567,-0.1 -2,-0.1 1,-0.1 571,-0.1 -0.578 75.4-128.0 -72.8 128.4 39.5 -1.9 39.4 13 18 A D > - 0 0 71 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.691 6.5-148.7 -81.6 117.0 42.6 -4.1 38.8 14 19 A P G > S+ 0 0 22 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.797 95.4 66.4 -54.0 -31.3 45.8 -1.9 38.5 15 20 A A G 3 S+ 0 0 74 1,-0.3 561,-0.0 3,-0.0 -2,-0.0 0.683 101.9 47.5 -67.0 -18.0 47.3 -4.5 36.1 16 21 A H G < S+ 0 0 118 -3,-2.2 2,-0.7 2,-0.1 -1,-0.3 0.322 88.5 92.9-105.2 0.7 44.6 -3.6 33.5 17 22 A V S < S- 0 0 1 -3,-1.4 2,-0.4 -4,-0.3 558,-0.0 -0.909 70.4-150.8 -94.8 114.6 45.0 0.2 33.8 18 23 A V B -A 650 0A 85 632,-1.7 632,-1.8 -2,-0.7 2,-0.3 -0.729 14.0-142.6-103.2 136.6 47.5 1.2 31.1 19 24 A R - 0 0 103 -2,-0.4 2,-0.6 630,-0.2 553,-0.0 -0.680 31.4-128.3 -84.0 138.1 50.0 4.1 30.8 20 25 A T + 0 0 61 -2,-0.3 2,-0.3 627,-0.1 87,-0.2 -0.854 54.0 69.6-108.7 121.7 50.3 5.4 27.2 21 26 A N + 0 0 95 -2,-0.6 85,-0.1 85,-0.1 -2,-0.0 -0.963 4.3 139.8 170.3-170.3 53.4 5.9 25.2 22 27 A G + 0 0 66 1,-0.3 84,-0.1 -2,-0.3 -1,-0.1 0.428 56.3 144.1 113.8 19.4 56.3 4.3 23.3 23 28 A A - 0 0 7 1,-0.1 -1,-0.3 -3,-0.1 2,-0.3 -0.504 61.8 -83.3 -87.1 153.9 55.9 6.9 20.7 24 29 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 81,-0.1 -0.383 50.7-114.1 -62.6 119.5 58.7 8.6 18.7 25 30 A D + 0 0 142 -2,-0.3 2,-0.3 -3,-0.0 77,-0.0 -0.234 41.2 176.3 -57.6 132.7 60.2 11.5 20.7 26 31 A M - 0 0 11 -3,-0.1 5,-0.1 76,-0.1 -3,-0.0 -0.993 26.1-118.6-143.6 134.9 59.5 14.9 19.1 27 32 A S > - 0 0 58 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 0.022 36.1 -98.4 -62.7 175.7 60.4 18.4 20.4 28 33 A E H > S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.905 124.6 48.0 -65.1 -40.1 57.9 21.1 21.2 29 34 A S H > S+ 0 0 83 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.845 113.9 47.9 -69.9 -32.1 58.3 22.8 17.8 30 35 A E H > S+ 0 0 72 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.823 113.2 46.9 -74.7 -36.5 58.0 19.5 16.0 31 36 A F H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.842 114.6 47.0 -73.6 -36.4 54.9 18.5 17.9 32 37 A N H X S+ 0 0 57 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.812 109.6 53.7 -75.1 -30.2 53.3 21.9 17.4 33 38 A E H X S+ 0 0 86 -4,-1.3 4,-1.4 -5,-0.2 -2,-0.2 0.909 114.1 41.8 -69.4 -39.9 54.1 21.9 13.7 34 39 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.891 113.0 53.7 -72.3 -39.0 52.4 18.5 13.3 35 40 A K H X S+ 0 0 16 -4,-2.2 4,-1.6 1,-0.2 5,-0.2 0.841 106.3 52.8 -64.9 -35.3 49.5 19.5 15.6 36 41 A Q H X S+ 0 0 97 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.893 110.3 47.4 -69.1 -38.3 48.9 22.6 13.4 37 42 A I H X>S+ 0 0 11 -4,-1.4 4,-2.9 1,-0.2 5,-0.8 0.870 106.5 60.2 -70.0 -32.1 48.8 20.5 10.3 38 43 A Y H X>S+ 0 0 2 -4,-2.1 5,-3.4 1,-0.2 4,-1.4 0.909 110.9 36.7 -67.9 -41.3 46.4 18.0 12.0 39 44 A F H <5S+ 0 0 4 -4,-1.6 511,-2.4 3,-0.2 5,-0.3 0.858 120.0 49.0 -82.1 -25.0 43.6 20.6 12.7 40 45 A Q H <5S+ 0 0 93 -4,-1.8 -2,-0.2 509,-0.2 -3,-0.2 0.899 133.7 9.8 -78.2 -34.6 44.2 22.5 9.4 41 46 A R H <5S+ 0 0 72 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.764 134.0 28.6-116.6 -31.2 44.1 19.3 7.3 42 47 A C T >X< - 0 0 0 -4,-3.4 3,-0.5 -5,-0.3 -1,-0.1 -0.103 30.3 -63.5 86.1 172.8 38.0 14.5 14.6 48 53 A V T 3 S+ 0 0 6 1,-0.2 -1,-0.1 -4,-0.1 -5,-0.1 0.881 137.2 34.1 -64.1 -45.1 39.7 15.9 17.7 49 54 A L T 3 S- 0 0 24 -3,-0.1 -1,-0.2 -6,-0.1 -2,-0.1 0.215 115.3-114.6 -96.4 10.7 40.2 12.6 19.4 50 55 A R S < S+ 0 0 1 -3,-0.5 8,-2.1 1,-0.1 -3,-0.2 0.757 89.6 103.4 60.6 37.3 40.9 10.9 16.0 51 56 A K + 0 0 69 -5,-0.4 -4,-0.2 6,-0.2 223,-0.1 0.075 49.9 95.0-129.9 23.7 37.8 8.5 16.0 52 57 A G + 0 0 7 -6,-3.1 -6,-0.2 -9,-0.1 -5,-0.2 0.659 68.7 71.1 -92.7 -19.4 35.6 10.4 13.5 53 58 A A S S- 0 0 32 -7,-0.3 -7,-0.1 1,-0.1 2,-0.0 -0.498 86.2 -99.5 -95.6 165.5 36.4 8.7 10.2 54 59 A T S S+ 0 0 76 -2,-0.2 -1,-0.1 27,-0.1 2,-0.1 -0.277 89.6 34.6 -71.7 171.0 35.5 5.3 8.9 55 60 A G S S- 0 0 71 -2,-0.0 -2,-0.0 2,-0.0 0, 0.0 -0.354 114.0 -11.2 77.3-165.5 38.1 2.5 9.1 56 61 A K S S- 0 0 108 1,-0.1 -3,-0.1 -2,-0.1 2,-0.1 -0.416 73.4-115.2 -74.6 141.3 40.6 2.3 12.0 57 62 A P - 0 0 32 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.365 18.6-123.0 -69.2 155.2 41.0 5.2 14.5 58 63 A L + 0 0 34 -8,-2.1 -7,-0.1 -12,-0.2 -2,-0.0 -0.156 65.8 133.3 -94.8 39.0 44.3 7.2 14.6 59 64 A T S >> S- 0 0 24 -9,-0.2 4,-2.5 -2,-0.2 3,-1.0 -0.625 71.9-105.5 -88.2 149.4 44.8 6.4 18.3 60 65 A P H 3> S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.740 115.3 63.2 -46.6 -30.5 48.2 5.2 19.6 61 66 A D H 3> S+ 0 0 105 2,-0.2 4,-0.6 1,-0.2 -3,-0.1 0.949 115.9 31.2 -62.6 -44.8 47.0 1.6 20.1 62 67 A I H <> S+ 0 0 28 -3,-1.0 4,-2.1 2,-0.2 3,-0.3 0.935 120.4 51.0 -77.2 -47.9 46.4 1.3 16.4 63 68 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 8,-0.2 0.838 110.1 47.6 -62.3 -37.3 49.1 3.7 15.1 64 69 A Q H < S+ 0 0 64 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.805 110.2 55.3 -72.8 -27.2 52.0 2.2 17.0 65 70 A Q H < S+ 0 0 140 -4,-0.6 -2,-0.2 -5,-0.3 -1,-0.2 0.896 109.6 45.7 -70.0 -41.6 50.8 -1.2 15.8 66 71 A R H < S- 0 0 92 -4,-2.1 4,-0.4 1,-0.1 -2,-0.2 0.929 107.9-144.8 -67.9 -44.9 51.0 -0.1 12.2 67 72 A G X - 0 0 22 -4,-2.3 4,-1.9 -5,-0.2 5,-0.2 -0.154 24.9 -69.9 99.0 163.2 54.4 1.5 12.7 68 73 A Q H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.905 128.5 44.7 -56.4 -49.8 56.2 4.6 11.4 69 74 A Q H > S+ 0 0 141 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.840 110.5 52.8 -67.7 -37.9 56.7 3.4 7.8 70 75 A Y H > S+ 0 0 99 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.946 113.5 45.1 -62.7 -46.6 53.1 2.0 7.4 71 76 A L H X S+ 0 0 13 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.896 110.7 52.4 -62.5 -46.4 51.7 5.4 8.4 72 77 A E H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.892 113.0 45.3 -59.0 -39.4 54.1 7.4 6.2 73 78 A A H X S+ 0 0 43 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.897 113.4 49.7 -72.5 -38.7 53.1 5.3 3.2 74 79 A L H X S+ 0 0 48 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.935 114.4 43.4 -66.9 -44.6 49.4 5.5 4.0 75 80 A I H < S+ 0 0 19 -4,-3.2 11,-2.6 1,-0.2 12,-0.5 0.935 115.5 52.1 -64.8 -40.7 49.5 9.3 4.5 76 81 A T H < S+ 0 0 10 -4,-2.3 12,-2.0 -5,-0.3 11,-1.8 0.911 126.9 18.2 -61.6 -45.4 51.7 9.6 1.4 77 82 A Y H < S- 0 0 160 -4,-2.7 8,-0.2 1,-0.2 -2,-0.2 0.653 91.2-159.0-108.3 -14.2 49.5 7.6 -1.0 78 83 A G < - 0 0 14 -4,-2.6 -1,-0.2 -5,-0.4 7,-0.1 -0.357 23.0 -90.1 70.0-159.2 46.1 7.6 0.8 79 84 A T > - 0 0 51 4,-2.7 3,-0.7 -4,-0.1 4,-0.4 -0.955 19.7-114.9-147.5 163.6 43.4 5.0 -0.0 80 85 A P T 3 S+ 0 0 136 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.496 103.9 77.1 -81.9 1.6 40.5 4.7 -2.5 81 86 A L T 3 S- 0 0 150 2,-0.1 -27,-0.1 3,-0.0 -3,-0.0 0.143 126.5 -68.8 -97.5 20.1 38.1 4.6 0.5 82 87 A G S < S+ 0 0 40 -3,-0.7 -4,-0.0 1,-0.3 -28,-0.0 0.475 96.3 119.9 111.9 1.0 38.1 8.3 1.3 83 88 A M - 0 0 35 -4,-0.4 -4,-2.7 -6,-0.0 -1,-0.3 -0.888 58.5-135.1-102.1 109.5 41.6 9.0 2.6 84 89 A P - 0 0 29 0, 0.0 2,-0.7 0, 0.0 -6,-0.2 -0.192 15.2-114.5 -62.6 153.6 43.4 11.6 0.4 85 90 A N > - 0 0 54 -8,-0.2 4,-0.5 -7,-0.1 6,-0.3 -0.847 31.4-180.0 -92.1 116.7 47.0 11.2 -0.8 86 91 A W T 4 S+ 0 0 26 -11,-2.6 6,-2.9 -2,-0.7 5,-0.4 0.633 76.7 38.7 -93.8 -18.1 49.1 13.9 0.8 87 92 A G T 4 S+ 0 0 23 -11,-1.8 -10,-0.2 -12,-0.5 -11,-0.1 0.854 115.1 47.2 -96.2 -48.2 52.5 13.0 -0.7 88 93 A S T 4 S+ 0 0 73 -12,-2.0 -2,-0.1 1,-0.2 -11,-0.1 0.886 114.1 49.0 -59.1 -45.9 51.7 12.0 -4.2 89 94 A S S < S- 0 0 72 -4,-0.5 -1,-0.2 -13,-0.3 -2,-0.1 0.824 111.8-127.0 -63.7 -31.4 49.4 15.1 -4.7 90 95 A G S S+ 0 0 56 -14,-0.2 -3,-0.2 2,-0.2 -2,-0.1 0.623 71.4 128.1 91.2 16.7 52.3 17.1 -3.3 91 96 A E S S+ 0 0 109 -5,-0.4 2,-0.3 -6,-0.3 -4,-0.2 0.920 73.9 29.3 -69.3 -45.3 50.2 18.8 -0.6 92 97 A L S S- 0 0 17 -6,-2.9 -2,-0.2 -16,-0.1 -1,-0.1 -0.875 84.0-121.3-117.2 149.7 52.6 17.9 2.3 93 98 A S > - 0 0 42 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.384 28.6-109.7 -83.2 165.9 56.4 17.3 2.1 94 99 A K H > S+ 0 0 89 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.774 121.3 55.3 -67.5 -21.5 58.1 14.1 3.2 95 100 A E H > S+ 0 0 140 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.851 111.1 43.7 -77.8 -34.3 59.4 15.9 6.2 96 101 A Q H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.902 111.0 53.0 -75.7 -42.4 55.9 16.9 7.2 97 102 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.847 108.1 53.1 -61.5 -33.5 54.4 13.5 6.5 98 103 A T H X S+ 0 0 37 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.925 109.3 47.6 -68.1 -42.7 57.2 12.1 8.8 99 104 A L H X S+ 0 0 15 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.897 110.1 53.7 -65.3 -38.2 56.1 14.5 11.5 100 105 A M H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.889 106.5 51.0 -63.6 -40.2 52.5 13.5 11.0 101 106 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.855 113.7 44.4 -64.6 -39.2 53.2 9.8 11.4 102 107 A K H >< S+ 0 0 58 -4,-1.6 3,-1.2 1,-0.2 -2,-0.2 0.887 110.9 56.4 -71.7 -39.1 55.1 10.4 14.7 103 108 A Y H >< S+ 0 0 1 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.902 102.3 51.7 -59.8 -49.5 52.4 12.8 15.9 104 109 A I T 3< S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.3 -41,-0.2 0.511 99.5 67.3 -69.7 -4.8 49.5 10.4 15.6 105 110 A Q T < S+ 0 0 13 -3,-1.2 -1,-0.3 -4,-0.2 2,-0.2 0.470 92.9 76.2 -90.1 -5.8 51.5 7.9 17.6 106 111 A H S < S- 0 0 18 -3,-1.9 -85,-0.1 -4,-0.2 -43,-0.1 -0.645 102.0 -84.1 -99.6 161.2 51.2 10.2 20.7 107 112 A T - 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