==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-DEC-10 2Y1A . COMPND 2 MOLECULE: COPPER-CONTAINING NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER CYCLOCLASTES; . AUTHOR M.A.HOUGH,S.V.ANTONYUK . 331 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 23.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 46 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 1 1 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 2 2 2 0 2 1 2 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 1 2 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 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 D > 0 0 138 0, 0.0 3,-2.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 123.1 19.7 58.7 -6.2 2 9 A I G > + 0 0 42 1,-0.3 3,-1.9 2,-0.2 29,-0.1 0.813 360.0 66.4 -58.0 -33.0 19.3 55.3 -4.5 3 10 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.632 93.8 60.8 -64.9 -12.6 18.2 57.0 -1.3 4 11 A T G < S+ 0 0 103 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.497 89.4 94.5 -87.9 -7.3 15.0 58.2 -3.2 5 12 A L S < S- 0 0 46 -3,-1.9 25,-0.1 -4,-0.2 2,-0.1 -0.523 85.5 -98.5 -85.2 152.1 14.0 54.6 -3.8 6 13 A P - 0 0 70 0, 0.0 25,-2.5 0, 0.0 2,-0.4 -0.403 34.3-143.2 -58.1 145.4 11.6 52.5 -1.7 7 14 A R E -a 31 0A 110 23,-0.2 2,-0.4 -4,-0.1 25,-0.2 -0.908 16.5-173.8-110.1 136.8 13.2 50.1 0.7 8 15 A V E -a 32 0A 43 23,-2.4 25,-3.1 -2,-0.4 2,-0.5 -0.999 13.5-146.2-132.2 128.7 11.7 46.7 1.3 9 16 A K E -a 33 0A 133 -2,-0.4 2,-0.5 23,-0.2 25,-0.2 -0.855 12.7-157.6 -98.2 128.7 13.0 44.3 4.0 10 17 A V - 0 0 21 23,-2.9 2,-0.6 -2,-0.5 25,-0.5 -0.929 9.2-152.4-109.6 128.2 12.8 40.6 3.3 11 18 A D - 0 0 124 -2,-0.5 9,-0.2 23,-0.1 23,-0.1 -0.870 28.4-136.0 -94.9 118.2 12.8 37.9 5.9 12 19 A L - 0 0 28 -2,-0.6 2,-0.3 23,-0.3 54,-0.1 -0.310 13.2-144.4 -77.6 154.6 14.3 34.8 4.3 13 20 A V - 0 0 61 52,-0.3 52,-0.3 4,-0.1 6,-0.2 -0.748 25.3 -93.3-114.4 168.1 12.9 31.3 4.6 14 21 A K > - 0 0 128 -2,-0.3 3,-1.4 50,-0.1 49,-0.1 -0.659 60.6 -75.9 -78.0 130.9 14.6 27.9 4.8 15 22 A P T 3 S+ 0 0 2 0, 0.0 46,-0.1 0, 0.0 156,-0.1 -0.242 112.4 40.0 -52.8 146.8 15.1 25.9 1.5 16 23 A P T 3 S+ 0 0 8 0, 0.0 154,-2.6 0, 0.0 2,-0.1 -0.995 112.5 71.2 -85.6 4.6 13.5 24.3 -0.4 17 24 A F S < S- 0 0 115 -3,-1.4 48,-0.4 152,-0.2 2,-0.4 -0.338 70.9-143.3 -78.2 163.4 10.9 27.1 0.3 18 25 A V - 0 0 24 150,-0.3 3,-0.1 46,-0.1 150,-0.1 -0.978 20.4-104.2-135.2 135.2 11.2 30.6 -1.0 19 26 A H - 0 0 10 46,-0.6 -7,-0.1 -2,-0.4 -9,-0.0 -0.079 52.5 -82.8 -55.1 158.4 10.3 33.9 0.5 20 27 A A + 0 0 95 -9,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.330 64.4 144.0 -70.0 143.9 7.2 35.7 -0.8 21 28 A H - 0 0 50 -3,-0.1 2,-0.4 -2,-0.0 47,-0.1 -0.961 45.1-109.2-162.9 172.2 7.6 37.8 -3.9 22 29 A D - 0 0 63 -2,-0.3 132,-0.1 1,-0.2 4,-0.1 -0.954 12.6-149.5-115.9 137.7 5.7 38.8 -7.1 23 30 A Q S S+ 0 0 37 -2,-0.4 131,-0.6 142,-0.1 2,-0.5 0.982 92.8 49.5 -67.6 -54.6 6.7 37.5 -10.5 24 31 A V B S-D 153 0B 76 129,-0.2 2,-0.2 130,-0.1 129,-0.2 -0.736 106.7-110.1 -80.6 126.2 5.6 40.6 -12.4 25 32 A A - 0 0 18 127,-2.6 -2,-0.1 -2,-0.5 -1,-0.1 -0.425 28.5-167.3 -67.1 125.9 7.1 43.6 -10.5 26 33 A K S S+ 0 0 162 -2,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.414 71.2 35.7 -96.0 1.3 4.3 45.6 -8.7 27 34 A T S S- 0 0 56 1,-0.1 3,-0.1 -21,-0.0 -2,-0.0 -0.862 90.4 -95.0-137.0 173.5 6.6 48.5 -8.0 28 35 A G S S- 0 0 36 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.128 76.5 -45.4 -72.7-174.4 9.4 50.5 -9.6 29 36 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.203 69.4-172.1 -54.9 145.5 13.0 49.5 -8.7 30 37 A R - 0 0 55 39,-0.2 43,-2.9 -25,-0.1 2,-0.7 -0.905 33.1-114.2-134.0 161.5 13.6 49.1 -5.0 31 38 A V E -ab 7 73A 0 -25,-2.5 -23,-2.4 -2,-0.3 2,-0.6 -0.935 36.9-157.6 -90.0 116.8 16.4 48.5 -2.5 32 39 A V E -ab 8 74A 4 41,-2.9 43,-2.9 -2,-0.7 2,-0.5 -0.911 5.3-149.5-104.3 117.4 15.7 45.0 -1.2 33 40 A E E +ab 9 75A 54 -25,-3.1 -23,-2.9 -2,-0.6 2,-0.3 -0.801 18.9 174.9 -95.6 123.7 17.2 44.4 2.2 34 41 A F E - b 0 76A 2 41,-2.6 43,-2.5 -2,-0.5 2,-0.4 -0.918 13.0-159.7-122.7 146.5 18.3 41.0 3.2 35 42 A T E - b 0 77A 45 -25,-0.5 2,-0.4 -2,-0.3 -23,-0.3 -0.998 9.8-176.4-124.7 131.5 20.1 39.9 6.4 36 43 A M E - b 0 78A 0 41,-2.7 43,-2.9 -2,-0.4 2,-0.5 -0.999 11.8-155.7-128.1 139.8 22.0 36.7 6.6 37 44 A T E - b 0 79A 53 -2,-0.4 21,-2.2 41,-0.2 22,-0.3 -0.958 19.4-132.2-114.2 119.1 23.8 35.3 9.7 38 45 A I E -E 57 0C 1 41,-2.9 2,-0.4 -2,-0.5 19,-0.2 -0.531 23.9-170.5 -71.6 133.7 26.6 32.9 9.1 39 46 A E E -E 56 0C 80 17,-2.3 17,-2.1 -2,-0.2 2,-0.5 -0.960 15.6-161.6-131.9 117.1 26.5 29.8 11.2 40 47 A E E +E 55 0C 42 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.837 37.3 153.3 -85.6 130.2 29.3 27.2 11.5 41 48 A K E -E 54 0C 62 13,-2.1 13,-2.7 -2,-0.5 2,-0.3 -0.992 48.4 -97.0-158.0 155.2 27.5 24.1 12.8 42 49 A K E -E 53 0C 122 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.588 40.4-171.1 -71.6 136.8 27.6 20.3 13.0 43 50 A L E -E 52 0C 39 9,-2.5 9,-2.5 -2,-0.3 2,-0.5 -0.991 23.0-142.4-134.0 134.3 25.4 18.5 10.4 44 51 A V E +E 51 0C 77 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.797 24.1 179.8 -86.1 118.9 24.5 14.8 10.0 45 52 A I + 0 0 0 5,-2.6 172,-3.0 -2,-0.5 2,-0.3 0.519 53.3 28.3-109.7 -3.4 24.5 14.3 6.2 46 53 A D S > S- 0 0 14 4,-0.6 3,-0.8 170,-0.2 164,-0.0 -0.875 83.4 -97.1-147.7 175.8 23.5 10.7 5.7 47 54 A R T 3 S+ 0 0 179 -2,-0.3 -1,-0.0 1,-0.2 -3,-0.0 0.670 115.7 63.2 -70.0 -20.0 21.6 7.7 7.3 48 55 A E T 3 S- 0 0 157 2,-0.0 -1,-0.2 1,-0.0 -4,-0.0 0.605 117.2-109.1 -82.9 -15.0 24.8 6.3 8.8 49 56 A G < + 0 0 41 -3,-0.8 -2,-0.1 1,-0.2 2,-0.1 0.592 52.5 172.4 99.9 12.3 25.2 9.4 11.0 50 57 A T - 0 0 19 -6,-0.1 -5,-2.6 1,-0.1 -4,-0.6 -0.329 16.2-157.2 -55.9 131.8 28.2 10.9 9.3 51 58 A E E +E 44 0C 104 -7,-0.2 2,-0.2 -6,-0.1 -7,-0.2 -0.945 14.6 177.2-124.9 125.9 28.8 14.3 10.8 52 59 A I E -E 43 0C 23 -9,-2.5 -9,-2.5 -2,-0.5 2,-0.9 -0.741 37.7-109.1-117.6 167.6 30.6 17.2 9.2 53 60 A H E -E 42 0C 118 -2,-0.2 -11,-0.2 -11,-0.2 2,-0.2 -0.875 43.1-158.9-100.1 100.6 31.3 20.8 10.2 54 61 A A E -E 41 0C 0 -13,-2.7 -13,-2.1 -2,-0.9 2,-0.5 -0.509 12.6-147.4 -82.5 149.9 29.1 22.7 7.8 55 62 A M E -E 40 0C 8 86,-2.5 2,-0.3 83,-0.2 -15,-0.2 -0.970 32.8-178.2-118.9 111.5 29.7 26.4 7.0 56 63 A T E -E 39 0C 0 -17,-2.1 -17,-2.3 -2,-0.5 2,-0.7 -0.818 37.0-135.9-124.1 152.1 26.3 28.0 6.4 57 64 A F E > S-EF 38 60C 0 3,-0.7 3,-1.0 85,-0.4 -19,-0.2 -0.936 100.5 -11.7 -94.1 116.4 24.5 31.2 5.4 58 65 A N T 3 S- 0 0 64 -21,-2.2 -20,-0.2 -2,-0.7 -1,-0.2 0.677 122.9 -65.8 66.9 19.6 21.6 31.5 7.8 59 66 A G T 3 S+ 0 0 14 -22,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.409 107.4 92.2 94.8 -2.1 21.8 28.0 9.2 60 67 A S B < S-F 57 0C 7 -3,-1.0 -3,-0.7 82,-0.1 -1,-0.2 -0.870 71.9-107.9-129.9 156.4 21.0 25.9 6.2 61 68 A V S S+ 0 0 6 -2,-0.3 2,-0.2 153,-0.2 84,-0.1 -0.991 109.5 29.0-119.5 117.6 22.6 24.1 3.3 62 69 A P S S- 0 0 2 0, 0.0 83,-0.3 0, 0.0 3,-0.1 0.658 103.8-118.9 -72.8 171.9 22.0 25.5 0.8 63 70 A G - 0 0 0 81,-2.6 83,-0.3 79,-0.2 -5,-0.1 -0.263 49.3 -75.6 -59.7 162.8 21.7 29.1 2.0 64 71 A P - 0 0 2 0, 0.0 82,-0.6 0, 0.0 2,-0.5 -0.189 44.5-106.6 -68.3 155.2 18.3 30.6 1.3 65 72 A L E -g 146 0D 2 -48,-0.4 -46,-0.6 -52,-0.3 2,-0.4 -0.731 30.7-155.0 -81.1 121.7 17.0 31.8 -2.1 66 73 A M E -g 147 0D 0 80,-1.8 82,-3.3 -2,-0.5 2,-0.4 -0.809 9.0-158.3 -93.6 141.7 16.9 35.5 -2.4 67 74 A V E +g 148 0D 5 -2,-0.4 2,-0.3 80,-0.2 82,-0.2 -0.984 24.2 142.4-128.6 127.5 14.5 37.0 -4.9 68 75 A V E -g 149 0D 2 80,-2.6 82,-3.0 -2,-0.4 2,-0.3 -0.812 40.8-106.8-141.6 179.4 14.5 40.4 -6.5 69 76 A H E > -g 150 0D 7 80,-0.3 3,-2.5 -2,-0.3 50,-0.2 -0.836 47.3 -77.7-112.8 156.8 13.8 41.9 -9.9 70 77 A E T 3 S+ 0 0 33 80,-2.7 50,-0.2 -2,-0.3 3,-0.1 -0.265 117.5 17.2 -53.1 132.8 16.1 43.2 -12.5 71 78 A N T 3 S+ 0 0 60 48,-2.8 -1,-0.3 1,-0.4 49,-0.1 0.439 93.5 125.9 75.3 4.6 17.5 46.7 -11.7 72 79 A D < - 0 0 2 -3,-2.5 47,-2.7 47,-0.3 2,-0.5 -0.420 63.3-120.4 -66.9 164.4 16.6 46.4 -8.1 73 80 A Y E -bC 31 118A 41 -43,-2.9 -41,-2.9 45,-0.2 2,-0.6 -0.942 17.8-144.5-110.2 133.0 19.5 46.9 -5.7 74 81 A V E -bC 32 117A 0 43,-3.3 43,-2.1 -2,-0.5 2,-0.6 -0.867 15.0-171.6 -95.7 122.8 20.4 44.1 -3.3 75 82 A E E -bC 33 116A 33 -43,-2.9 -41,-2.6 -2,-0.6 2,-0.5 -0.916 7.0-173.5-119.7 110.1 21.5 45.3 0.1 76 83 A L E -bC 34 115A 3 39,-2.6 39,-2.5 -2,-0.6 2,-0.7 -0.874 17.1-161.1-108.9 122.9 22.8 42.5 2.2 77 84 A R E -bC 35 114A 97 -43,-2.5 -41,-2.7 -2,-0.5 2,-0.5 -0.908 17.9-164.4 -95.7 117.6 23.8 42.8 5.8 78 85 A L E -bC 36 113A 1 35,-2.7 35,-1.6 -2,-0.7 2,-0.5 -0.928 1.3-161.3-111.4 124.8 26.1 39.8 6.4 79 86 A I E -bC 37 112A 31 -43,-2.9 -41,-2.9 -2,-0.5 33,-0.2 -0.925 12.7-171.5-115.4 125.1 26.7 38.9 10.1 80 87 A N E - 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