==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (NITRIC OXIDE(A)) 03-JUL-95 1NIE . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER CYCLOCLASTES; . AUTHOR E.T.ADMAN,J.W.GODDEN,S.TURLEY . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 23.7 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 . 2 0.6 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 0.3 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 . 39 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.6 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 . 3 0.9 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 . 7 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 . 1 2 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 0 141 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -66.0 18.5 -34.7 -6.1 2 9 A I > + 0 0 32 1,-0.2 3,-1.6 2,-0.2 29,-0.1 0.864 360.0 65.5 -63.8 -35.1 20.5 -31.4 -5.9 3 10 A S T 3 S+ 0 0 103 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.909 102.4 47.4 -49.0 -44.6 23.5 -33.5 -6.8 4 11 A T T 3 S+ 0 0 121 -3,-0.4 -1,-0.3 2,-0.0 -2,-0.2 0.453 90.7 103.7 -78.5 -10.2 21.8 -34.2 -10.2 5 12 A L S < S- 0 0 38 -3,-1.6 25,-0.1 -4,-0.4 2,-0.1 -0.421 76.6-109.4 -79.3 150.7 20.9 -30.5 -10.9 6 13 A P - 0 0 75 0, 0.0 25,-2.4 0, 0.0 2,-0.4 -0.432 33.2-149.8 -74.1 156.4 22.9 -28.5 -13.5 7 14 A R E -a 31 0A 112 23,-0.2 2,-0.4 -2,-0.1 25,-0.2 -0.990 13.0-172.1-132.7 142.1 25.0 -25.6 -12.1 8 15 A V E -a 32 0A 49 23,-1.9 25,-2.6 -2,-0.4 2,-0.4 -0.990 16.1-141.7-135.1 134.1 26.1 -22.3 -13.5 9 16 A K E -a 33 0A 92 -2,-0.4 2,-0.4 23,-0.2 25,-0.2 -0.830 18.6-160.9 -95.5 136.4 28.6 -19.9 -12.1 10 17 A V - 0 0 19 23,-2.3 2,-0.5 -2,-0.4 25,-0.4 -0.985 10.4-146.2-124.8 131.7 27.7 -16.1 -12.4 11 18 A D - 0 0 125 -2,-0.4 2,-0.1 23,-0.1 23,-0.1 -0.861 24.9-133.7 -94.5 123.7 30.1 -13.2 -12.1 12 19 A L - 0 0 29 -2,-0.5 2,-0.3 23,-0.3 54,-0.1 -0.340 13.1-144.8 -76.5 157.7 28.5 -10.1 -10.6 13 20 A V - 0 0 63 52,-0.3 52,-0.3 4,-0.2 6,-0.2 -0.851 27.1 -92.5-122.5 159.0 28.7 -6.6 -11.9 14 21 A K > - 0 0 124 -2,-0.3 3,-1.4 50,-0.1 49,-0.1 -0.483 60.7 -74.2 -69.6 137.8 28.8 -3.2 -10.1 15 22 A P T 3 S+ 0 0 9 0, 0.0 46,-0.1 0, 0.0 -1,-0.1 -0.350 113.9 37.9 -62.3 154.4 25.6 -1.3 -9.4 16 23 A P T 3 S+ 0 0 10 0, 0.0 154,-2.2 0, 0.0 2,-0.1 -0.974 112.5 73.0 -78.6 1.0 23.6 0.3 -11.1 17 24 A F S < S- 0 0 123 -3,-1.4 48,-0.4 152,-0.2 2,-0.4 -0.421 71.0-145.0 -80.0 158.3 24.3 -2.3 -13.7 18 25 A V - 0 0 26 150,-0.3 3,-0.1 -2,-0.1 -4,-0.1 -0.969 20.1-105.6-128.0 140.4 23.0 -5.9 -13.5 19 26 A H - 0 0 9 46,-0.5 -7,-0.1 -2,-0.4 -9,-0.0 -0.200 50.5 -84.6 -63.1 151.5 24.6 -9.2 -14.5 20 27 A A + 0 0 99 -8,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.255 63.6 148.2 -58.2 141.9 23.3 -11.0 -17.7 21 28 A H - 0 0 54 -3,-0.1 2,-0.4 47,-0.0 47,-0.1 -0.964 45.4-104.3-164.8 169.3 20.3 -13.2 -17.2 22 29 A D - 0 0 81 -2,-0.3 132,-0.1 1,-0.2 3,-0.1 -0.868 15.2-154.2-106.6 136.4 17.1 -14.5 -18.9 23 30 A Q S S+ 0 0 42 -2,-0.4 131,-0.6 1,-0.2 2,-0.5 0.964 90.7 41.0 -72.4 -54.3 13.7 -13.0 -18.0 24 31 A V B S-D 153 0B 62 129,-0.2 2,-0.2 130,-0.1 129,-0.2 -0.831 104.4-111.4 -93.5 127.8 11.7 -16.1 -19.1 25 32 A A - 0 0 12 127,-2.6 -2,-0.1 -2,-0.5 -1,-0.0 -0.480 29.6-173.7 -66.6 129.0 13.6 -19.3 -17.9 26 33 A K S S+ 0 0 157 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.561 71.6 39.3 -94.7 -18.3 15.0 -21.3 -20.8 27 34 A T S S- 0 0 72 1,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.648 90.2 -99.8-122.4 180.0 16.2 -24.2 -18.6 28 35 A G - 0 0 45 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 -0.201 69.6 -43.1 -89.3-170.2 14.7 -26.0 -15.6 29 36 A P + 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.241 67.8 179.3 -56.8 140.3 15.8 -25.4 -11.9 30 37 A R - 0 0 60 -25,-0.1 43,-2.5 39,-0.1 2,-0.6 -0.865 37.1-106.9-136.5 169.6 19.5 -25.0 -11.4 31 38 A V E -ab 7 73A 0 -25,-2.4 -23,-1.9 -2,-0.3 2,-0.6 -0.914 37.3-156.9 -99.4 116.7 22.0 -24.4 -8.6 32 39 A V E -ab 8 74A 8 41,-3.2 43,-2.9 -2,-0.6 2,-0.5 -0.916 7.2-153.4-101.4 120.1 23.2 -20.8 -9.3 33 40 A E E +ab 9 75A 53 -25,-2.6 -23,-2.3 -2,-0.6 2,-0.3 -0.832 17.0 173.6-102.3 130.0 26.6 -20.1 -7.7 34 41 A F E - b 0 76A 2 41,-2.6 43,-2.5 -2,-0.5 2,-0.4 -0.909 15.8-154.6-127.9 156.4 27.9 -16.7 -6.6 35 42 A T E - b 0 77A 39 -25,-0.4 2,-0.4 -2,-0.3 -23,-0.3 -0.999 12.0-177.0-133.1 127.6 31.0 -15.5 -4.8 36 43 A M E - b 0 78A 0 41,-2.6 43,-2.4 -2,-0.4 2,-0.5 -0.998 11.3-155.1-128.3 137.1 31.2 -12.3 -2.8 37 44 A T E - b 0 79A 53 -2,-0.4 21,-2.4 41,-0.2 22,-0.4 -0.942 19.7-129.0-111.2 127.6 34.2 -10.8 -1.0 38 45 A I E -E 57 0C 0 41,-2.9 2,-0.4 -2,-0.5 19,-0.2 -0.532 25.6-170.9 -75.8 137.1 33.7 -8.5 2.0 39 46 A E E -E 56 0C 85 17,-2.1 17,-1.9 -2,-0.2 2,-0.5 -0.935 13.1-163.1-137.4 110.6 35.6 -5.2 1.8 40 47 A E E +E 55 0C 28 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.820 35.1 152.4 -87.1 127.1 36.0 -2.7 4.6 41 48 A K E -E 54 0C 72 13,-2.6 13,-2.8 -2,-0.5 2,-0.2 -0.998 48.4 -99.8-157.6 159.0 37.1 0.6 3.1 42 49 A K E -E 53 0C 101 -2,-0.3 2,-0.4 11,-0.3 11,-0.2 -0.593 38.8-176.9 -78.7 143.9 37.2 4.4 3.3 43 50 A L E -E 52 0C 39 9,-2.4 9,-2.7 -2,-0.2 2,-0.6 -0.998 22.7-141.2-142.7 131.9 34.6 6.1 1.1 44 51 A V E -E 51 0C 75 -2,-0.4 7,-0.3 7,-0.2 6,-0.1 -0.899 19.1-173.9 -97.6 127.7 34.1 9.9 0.6 45 52 A I + 0 0 0 5,-2.5 172,-2.6 -2,-0.6 2,-0.3 0.505 53.5 29.2-101.4 -7.2 30.4 10.5 0.3 46 53 A D S > S- 0 0 21 4,-0.6 3,-1.5 170,-0.2 164,-0.0 -0.909 82.6 -94.0-145.5 178.3 30.1 14.1 -0.6 47 54 A R T 3 S+ 0 0 181 -2,-0.3 -1,-0.0 1,-0.3 -3,-0.0 0.728 116.2 59.1 -63.1 -31.7 31.6 17.2 -2.3 48 55 A E T 3 S- 0 0 163 1,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.382 119.8-105.3 -81.6 0.3 33.2 18.5 0.8 49 56 A G < + 0 0 38 -3,-1.5 2,-0.2 1,-0.2 -2,-0.1 0.669 53.3 174.2 85.2 18.0 35.2 15.3 1.2 50 57 A T - 0 0 9 -6,-0.1 -5,-2.5 1,-0.1 -4,-0.6 -0.414 16.5-158.0 -60.8 128.7 33.3 13.8 4.1 51 58 A E E +E 44 0C 60 -7,-0.3 2,-0.3 -2,-0.2 -7,-0.2 -0.904 15.4 178.9-118.5 141.0 34.8 10.3 4.6 52 59 A I E -E 43 0C 22 -9,-2.7 -9,-2.4 -2,-0.4 2,-0.9 -0.855 36.5-112.3-132.7 164.8 33.4 7.2 6.3 53 60 A H E -E 42 0C 29 -2,-0.3 -11,-0.3 -11,-0.2 2,-0.2 -0.877 42.9-160.9 -99.9 94.5 34.6 3.6 6.9 54 61 A A E -E 41 0C 1 -13,-2.8 -13,-2.6 -2,-0.9 2,-0.5 -0.508 13.0-148.6 -78.6 148.3 32.2 1.7 4.7 55 62 A M E -E 40 0C 1 86,-2.2 2,-0.3 83,-0.2 -15,-0.2 -0.988 32.3-177.9-117.4 114.5 31.5 -2.0 5.1 56 63 A T E -E 39 0C 1 -17,-1.9 -17,-2.1 -2,-0.5 2,-0.6 -0.822 37.6-134.1-124.2 160.9 30.8 -3.5 1.7 57 64 A F E > S-EF 38 60C 0 3,-0.8 3,-1.2 85,-0.3 -19,-0.2 -0.947 101.8 -10.5-105.2 114.1 29.8 -6.7 -0.2 58 65 A N T 3 S- 0 0 49 -21,-2.4 -1,-0.2 -2,-0.6 -20,-0.2 0.705 121.9 -67.7 68.5 22.2 32.1 -6.8 -3.2 59 66 A G T 3 S+ 0 0 11 -22,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.466 107.6 101.7 80.8 3.4 33.5 -3.3 -2.8 60 67 A S B < -F 57 0C 14 -3,-1.2 -3,-0.8 82,-0.0 -1,-0.2 -0.841 69.6-115.8-125.2 156.1 30.3 -1.4 -3.6 61 68 A V S S+ 0 0 12 -2,-0.3 2,-0.2 -5,-0.1 111,-0.1 -0.981 109.3 28.8-125.6 111.2 27.5 0.4 -1.8 62 69 A P S S- 0 0 1 0, 0.0 83,-0.3 0, 0.0 3,-0.1 0.630 105.6-119.5 -75.0 174.5 25.0 -1.1 -2.4 63 70 A G - 0 0 0 81,-2.6 83,-0.3 64,-0.2 -5,-0.1 -0.359 49.7 -72.5 -70.5 166.5 26.3 -4.7 -2.8 64 71 A P - 0 0 2 0, 0.0 82,-0.5 0, 0.0 2,-0.4 -0.168 45.8-109.7 -64.2 152.2 25.6 -6.2 -6.3 65 72 A L E -g 146 0D 3 -48,-0.4 -46,-0.5 -52,-0.3 2,-0.4 -0.702 28.8-153.2 -83.7 126.1 22.1 -7.3 -7.5 66 73 A M E -g 147 0D 0 80,-1.7 82,-3.5 -2,-0.4 2,-0.5 -0.843 7.7-160.4 -97.9 138.7 21.8 -11.2 -7.8 67 74 A V E +g 148 0D 6 -2,-0.4 2,-0.2 80,-0.2 82,-0.2 -0.985 23.5 146.4-126.8 120.0 19.2 -12.5 -10.3 68 75 A V E -g 149 0D 2 80,-2.7 82,-2.5 -2,-0.5 2,-0.3 -0.749 40.2-107.9-135.0-179.0 17.8 -16.0 -10.2 69 76 A H E > -g 150 0D 10 80,-0.2 3,-2.0 -2,-0.2 50,-0.2 -0.862 46.7 -77.3-117.6 155.4 14.5 -17.7 -11.0 70 77 A E T 3 S+ 0 0 42 80,-2.6 50,-0.2 -2,-0.3 3,-0.1 -0.246 117.0 13.9 -51.5 126.8 11.8 -19.1 -8.7 71 78 A N T 3 S+ 0 0 60 48,-3.4 -1,-0.3 1,-0.3 2,-0.1 0.491 91.9 125.8 81.1 7.5 12.9 -22.5 -7.3 72 79 A D < - 0 0 6 -3,-2.0 47,-2.4 47,-0.3 2,-0.4 -0.457 63.5-118.3 -80.5 166.5 16.5 -22.3 -8.3 73 80 A Y E -bC 31 118A 40 -43,-2.5 -41,-3.2 45,-0.2 2,-0.6 -0.924 19.4-143.7-109.2 134.6 19.0 -22.9 -5.4 74 81 A V E -bC 32 117A 0 43,-3.0 43,-1.9 -2,-0.4 2,-0.6 -0.891 15.3-172.0 -99.5 123.4 21.3 -20.0 -4.6 75 82 A E E -bC 33 116A 27 -43,-2.9 -41,-2.6 -2,-0.6 2,-0.5 -0.970 7.4-172.3-119.2 113.2 24.7 -21.1 -3.5 76 83 A L E -bC 34 115A 4 39,-2.7 39,-2.1 -2,-0.6 2,-0.6 -0.929 17.1-156.9-112.7 128.9 26.9 -18.3 -2.2 77 84 A R E -bC 35 114A 104 -43,-2.5 -41,-2.6 -2,-0.5 2,-0.5 -0.905 18.4-164.8 -99.6 118.6 30.6 -18.4 -1.2 78 85 A L E -bC 36 113A 2 35,-2.8 35,-1.6 -2,-0.6 2,-0.4 -0.945 4.3-169.8-113.0 121.3 31.2 -15.6 1.2 79 86 A I E -bC 37 112A 32 -43,-2.4 -41,-2.9 -2,-0.5 33,-0.2 -0.911 13.3-171.5-115.7 128.6 34.8 -14.6 1.9 80 87 A N E - 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