==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JUL-05 2BWI . COMPND 2 MOLECULE: COPPER-CONTAINING NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER CYCLOCLASTES; . AUTHOR S.V.ANTONYUK,R.W.STRANGE,G.SAWERS,R.R.EADY,S.S.HASNAIN . 334 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 22.8 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 . 42 12.6 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 . 20 6.0 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 0 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 1 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 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 7 A V 0 0 151 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 146.6 -34.5 -5.2 13.4 2 8 A D > - 0 0 100 1,-0.1 3,-1.3 3,-0.1 4,-0.2 -0.471 360.0-144.2 -60.9 120.6 -35.5 -4.0 16.9 3 9 A I G > S+ 0 0 40 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.822 94.6 66.2 -64.1 -33.3 -32.2 -4.3 19.1 4 10 A S G 3 S+ 0 0 85 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.739 100.4 54.6 -62.9 -20.7 -34.0 -5.3 22.3 5 11 A T G < S+ 0 0 87 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.2 0.441 86.8 99.6 -87.0 -6.9 -34.9 -8.6 20.5 6 12 A L S < S- 0 0 31 -3,-1.8 25,-0.1 -4,-0.2 -3,-0.0 -0.489 82.4 -96.9 -79.5 159.1 -31.4 -9.6 19.5 7 13 A P - 0 0 65 0, 0.0 25,-2.5 0, 0.0 2,-0.3 -0.287 41.3-154.5 -59.0 154.7 -29.3 -12.2 21.3 8 14 A R E -a 32 0A 111 23,-0.2 2,-0.3 -3,-0.1 25,-0.2 -0.905 13.5-177.7-127.7 158.9 -26.9 -10.8 23.8 9 15 A V E -a 33 0A 46 23,-2.0 25,-3.2 -2,-0.3 2,-0.5 -0.966 21.0-134.0-154.3 145.3 -23.6 -12.2 25.3 10 16 A K E -a 34 0A 164 -2,-0.3 2,-0.4 23,-0.2 25,-0.2 -0.879 20.7-153.6-100.3 127.5 -21.1 -11.0 27.8 11 17 A V - 0 0 27 23,-2.8 2,-0.5 -2,-0.5 25,-0.4 -0.847 4.9-151.7 -99.0 140.3 -17.3 -11.2 26.9 12 18 A D - 0 0 142 -2,-0.4 9,-0.2 9,-0.1 2,-0.0 -0.956 23.6-140.0-110.7 116.1 -14.5 -11.5 29.5 13 19 A L - 0 0 32 -2,-0.5 2,-0.3 23,-0.3 54,-0.1 -0.285 10.0-149.2 -76.1 159.6 -11.3 -9.9 28.1 14 20 A V - 0 0 60 52,-0.3 52,-0.2 4,-0.2 6,-0.2 -0.865 27.6 -94.0-124.9 161.8 -7.7 -11.2 28.4 15 21 A K > - 0 0 126 -2,-0.3 3,-1.5 50,-0.1 49,-0.1 -0.552 61.2 -73.3 -77.7 133.9 -4.3 -9.4 28.6 16 22 A P T 3 S+ 0 0 2 0, 0.0 3,-0.1 0, 0.0 46,-0.1 -0.267 112.8 38.6 -55.7 149.3 -2.4 -8.9 25.3 17 23 A P T 3 S+ 0 0 8 0, 0.0 154,-2.1 0, 0.0 2,-0.1 -0.989 111.7 71.5 -87.0 3.8 -0.8 -10.5 23.4 18 24 A F S < S- 0 0 116 -3,-1.5 48,-0.4 152,-0.2 2,-0.4 -0.329 72.2-143.7 -74.0 162.1 -3.4 -13.2 24.1 19 25 A V - 0 0 23 150,-0.3 150,-0.1 -3,-0.1 3,-0.1 -0.990 22.9-101.8-133.9 134.3 -7.0 -12.8 22.7 20 26 A H - 0 0 10 46,-0.6 -7,-0.1 -2,-0.4 -9,-0.0 -0.196 50.6 -92.4 -56.4 144.7 -10.3 -13.8 24.3 21 27 A A + 0 0 99 -9,-0.2 2,-0.3 -8,-0.0 -9,-0.1 -0.293 60.7 150.0 -59.5 139.4 -11.8 -17.0 23.0 22 28 A H - 0 0 51 -3,-0.1 2,-0.5 47,-0.0 47,-0.1 -0.929 45.0-100.0-157.6 172.2 -14.3 -16.5 20.1 23 29 A D - 0 0 73 -2,-0.3 132,-0.1 1,-0.2 4,-0.1 -0.947 12.4-151.5-109.8 131.3 -15.6 -18.4 17.0 24 30 A Q S S+ 0 0 41 -2,-0.5 2,-0.6 1,-0.2 131,-0.5 0.932 94.3 52.8 -60.7 -48.8 -14.2 -17.6 13.5 25 31 A V B S-D 154 0B 85 129,-0.2 2,-0.3 130,-0.1 129,-0.2 -0.828 101.4-120.6 -85.4 115.2 -17.6 -18.8 12.0 26 32 A A - 0 0 21 127,-2.4 -2,-0.1 -2,-0.6 -1,-0.0 -0.380 22.0-165.0 -66.5 124.6 -20.4 -16.9 13.8 27 33 A K S S+ 0 0 172 -2,-0.3 2,-0.3 -4,-0.1 -1,-0.1 0.461 72.6 43.8 -90.7 -3.8 -22.8 -19.3 15.5 28 34 A T S S- 0 0 49 1,-0.1 3,-0.1 -21,-0.0 -2,-0.0 -0.860 88.0-108.9-122.4 167.0 -25.5 -16.7 16.1 29 35 A G S S- 0 0 40 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.155 76.1 -35.6 -73.8-176.1 -27.0 -14.1 14.0 30 36 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.178 77.1 176.8 -44.7 136.1 -26.2 -10.4 14.8 31 37 A R - 0 0 64 -25,-0.1 43,-2.6 39,-0.1 2,-0.7 -0.887 38.0-104.7-141.7 164.5 -26.0 -9.9 18.5 32 38 A V E -ab 8 74A 0 -25,-2.5 -23,-2.0 -2,-0.3 2,-0.6 -0.860 34.9-158.3 -92.4 114.9 -25.2 -7.3 21.2 33 39 A V E -ab 9 75A 4 41,-3.1 43,-2.8 -2,-0.7 2,-0.5 -0.876 8.1-150.8-102.3 112.6 -21.7 -8.2 22.5 34 40 A E E +ab 10 76A 55 -25,-3.2 -23,-2.8 -2,-0.6 2,-0.3 -0.780 19.3 173.5 -96.2 124.2 -21.2 -6.7 26.0 35 41 A F E - b 0 77A 4 41,-2.6 43,-2.6 -2,-0.5 2,-0.4 -0.919 15.1-158.8-120.6 153.4 -17.8 -5.6 27.2 36 42 A T E - b 0 78A 67 -25,-0.4 2,-0.4 -2,-0.3 -23,-0.3 -0.999 10.3-179.0-129.6 134.5 -16.5 -3.8 30.3 37 43 A M E - b 0 79A 0 41,-2.5 43,-2.4 -2,-0.4 2,-0.5 -0.999 13.4-153.5-131.0 140.1 -13.2 -2.0 30.6 38 44 A T E - b 0 80A 54 -2,-0.4 21,-2.0 41,-0.2 22,-0.3 -0.945 20.5-129.8-110.8 122.5 -11.9 -0.1 33.7 39 45 A I E -E 58 0C 2 41,-2.9 2,-0.4 -2,-0.5 19,-0.2 -0.493 25.2-169.3 -70.7 137.6 -9.4 2.7 33.1 40 46 A E E -E 57 0C 81 17,-2.4 17,-1.7 -2,-0.2 2,-0.5 -0.948 14.5-161.6-135.6 114.7 -6.2 2.5 35.1 41 47 A E E +E 56 0C 39 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.824 35.3 155.5 -82.8 127.5 -3.5 5.2 35.4 42 48 A K E -E 55 0C 69 13,-2.0 13,-2.5 -2,-0.5 2,-0.2 -0.996 47.7-100.6-154.3 152.4 -0.4 3.5 36.7 43 49 A K E -E 54 0C 127 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.566 40.4-171.5 -71.4 137.1 3.4 3.8 36.8 44 50 A L E -E 53 0C 45 9,-2.3 9,-2.6 -2,-0.2 2,-0.6 -0.997 22.6-141.1-133.6 132.8 5.1 1.5 34.3 45 51 A V E -E 52 0C 73 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.831 23.9-179.6 -89.7 122.5 8.8 0.7 33.9 46 52 A I + 0 0 1 5,-2.4 172,-2.5 -2,-0.6 2,-0.3 0.483 52.2 30.4-107.7 -8.8 9.4 0.6 30.1 47 53 A D S > S- 0 0 15 4,-0.5 3,-1.1 170,-0.2 261,-0.0 -0.892 81.7-100.5-145.0 172.0 13.1 -0.3 29.6 48 54 A R T 3 S+ 0 0 179 -2,-0.3 -1,-0.0 1,-0.2 -3,-0.0 0.717 115.7 64.8 -66.7 -25.6 16.0 -2.2 31.0 49 55 A E T 3 S- 0 0 162 2,-0.0 -1,-0.2 1,-0.0 -4,-0.0 0.640 116.7-110.0 -70.6 -16.5 17.5 1.1 32.5 50 56 A G < + 0 0 41 -3,-1.1 -2,-0.1 1,-0.2 2,-0.1 0.564 52.6 171.1 96.6 9.1 14.4 1.4 34.8 51 57 A T - 0 0 20 -6,-0.1 -5,-2.4 1,-0.0 -4,-0.5 -0.381 17.3-159.4 -56.4 125.3 12.8 4.4 33.1 52 58 A E E -E 45 0C 91 -7,-0.2 2,-0.2 -6,-0.1 -7,-0.2 -0.954 12.0-178.9-116.7 129.2 9.4 4.8 34.8 53 59 A I E -E 44 0C 21 -9,-2.6 -9,-2.3 -2,-0.5 2,-0.9 -0.745 36.4-110.0-120.3 165.7 6.4 6.7 33.2 54 60 A H E -E 43 0C 115 -2,-0.2 -11,-0.2 -11,-0.2 2,-0.2 -0.854 44.9-162.8 -94.6 99.2 2.8 7.5 34.2 55 61 A A E -E 42 0C 2 -13,-2.5 -13,-2.0 -2,-0.9 2,-0.5 -0.518 14.5-146.0 -84.3 152.3 0.9 5.3 31.7 56 62 A M E -E 41 0C 7 86,-2.2 2,-0.3 83,-0.2 -15,-0.2 -0.984 32.3-178.4-120.7 113.7 -2.8 5.7 30.9 57 63 A T E -E 40 0C 1 -17,-1.7 -17,-2.4 -2,-0.5 2,-0.6 -0.879 37.3-136.3-124.7 151.0 -4.5 2.3 30.2 58 64 A F E > S-EF 39 61C 0 3,-0.6 3,-1.2 85,-0.3 -19,-0.2 -0.918 100.7 -10.3 -91.9 116.2 -7.6 0.5 29.3 59 65 A N T 3 S- 0 0 68 -21,-2.0 -1,-0.2 -2,-0.6 -20,-0.2 0.636 122.6 -66.9 70.0 19.2 -7.9 -2.5 31.7 60 66 A G T 3 S+ 0 0 15 -22,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.451 107.8 98.2 91.7 -1.8 -4.4 -2.1 33.1 61 67 A S B < S-F 58 0C 6 -3,-1.2 -3,-0.6 82,-0.0 -1,-0.2 -0.880 70.5-113.6-122.7 154.4 -2.3 -3.0 30.0 62 68 A V S S+ 0 0 8 -2,-0.3 2,-0.1 153,-0.2 84,-0.1 -0.997 109.5 29.8-119.1 118.5 -0.4 -1.3 27.2 63 69 A P S S- 0 0 2 0, 0.0 83,-0.3 0, 0.0 81,-0.1 0.677 104.6-119.7 -68.4 169.7 -1.9 -1.9 24.6 64 70 A G - 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