==== 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 12-JUL-05 2BW5 . 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) . 15928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 67.7 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 . 77 23.1 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 . 43 12.9 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 . 21 6.3 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 1 1 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 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 7 A V 0 0 124 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 143.1 -34.4 -5.2 13.7 2 8 A D > - 0 0 98 1,-0.1 3,-2.1 2,-0.1 4,-0.3 -0.322 360.0-143.9 -62.3 119.9 -35.1 -4.1 17.2 3 9 A I G > S+ 0 0 42 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.839 95.9 65.3 -60.5 -29.2 -31.8 -4.3 19.2 4 10 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 4,-0.0 -2,-0.1 0.663 96.4 59.8 -69.7 -11.0 -33.6 -5.5 22.4 5 11 A T G < S+ 0 0 100 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.503 88.5 95.7 -87.0 -8.4 -34.6 -8.7 20.6 6 12 A L S < S- 0 0 39 -3,-1.8 25,-0.1 -4,-0.3 2,-0.0 -0.502 84.8 -99.1 -84.4 152.6 -31.0 -9.7 19.9 7 13 A P - 0 0 69 0, 0.0 25,-2.6 0, 0.0 2,-0.4 -0.372 32.9-144.5 -58.9 148.5 -28.9 -12.0 21.9 8 14 A R E -a 32 0A 115 23,-0.2 2,-0.4 -4,-0.1 25,-0.2 -0.940 16.7-175.8-111.3 139.1 -26.5 -10.5 24.4 9 15 A V E -a 33 0A 43 23,-2.2 25,-3.1 -2,-0.4 2,-0.5 -0.999 16.9-142.1-134.1 134.5 -23.1 -12.1 25.2 10 16 A K E -a 34 0A 144 -2,-0.4 2,-0.4 23,-0.2 25,-0.2 -0.840 14.5-151.4 -95.5 125.1 -20.6 -10.8 27.7 11 17 A V - 0 0 21 23,-2.8 2,-0.6 -2,-0.5 25,-0.3 -0.763 3.8-151.2 -92.9 141.0 -16.9 -11.0 26.8 12 18 A D - 0 0 123 -2,-0.4 9,-0.3 23,-0.1 23,-0.1 -0.937 24.5-140.7-109.7 113.3 -14.2 -11.4 29.4 13 19 A L - 0 0 32 -2,-0.6 2,-0.3 23,-0.2 54,-0.1 -0.201 10.0-149.8 -73.1 161.0 -11.1 -9.8 28.0 14 20 A V - 0 0 58 52,-0.3 52,-0.3 4,-0.2 6,-0.2 -0.886 27.5 -94.9-128.1 161.4 -7.5 -11.0 28.4 15 21 A K > - 0 0 124 -2,-0.3 3,-1.5 50,-0.1 49,-0.1 -0.538 61.6 -72.0 -78.0 137.8 -4.2 -9.2 28.6 16 22 A P T 3 S+ 0 0 3 0, 0.0 3,-0.1 0, 0.0 156,-0.1 -0.231 113.1 38.7 -59.6 149.6 -2.2 -8.7 25.3 17 23 A P T 3 S+ 0 0 8 0, 0.0 154,-2.2 0, 0.0 -2,-0.0 -0.984 111.5 72.0 -88.7 4.1 -0.7 -10.3 23.5 18 24 A F S < S- 0 0 115 -3,-1.5 48,-0.4 152,-0.2 2,-0.4 -0.331 72.8-141.7 -73.4 163.6 -3.3 -13.0 24.1 19 25 A V - 0 0 25 150,-0.3 3,-0.1 -3,-0.1 150,-0.1 -0.992 17.7-109.3-133.9 134.8 -6.8 -12.6 22.7 20 26 A H - 0 0 8 46,-0.6 -7,-0.1 -2,-0.4 -9,-0.0 -0.037 51.5 -74.8 -59.3 165.2 -10.1 -13.5 24.2 21 27 A A + 0 0 94 -9,-0.3 2,-0.3 2,-0.0 -1,-0.2 -0.297 63.7 144.5 -67.2 137.7 -12.2 -16.4 23.0 22 28 A H - 0 0 50 -3,-0.1 2,-0.5 -2,-0.0 47,-0.1 -0.990 45.2-111.9-161.2 170.7 -14.1 -16.2 19.9 23 29 A D - 0 0 73 -2,-0.3 132,-0.1 1,-0.2 4,-0.1 -0.948 15.6-148.8-111.3 130.1 -15.3 -18.1 16.8 24 30 A Q S S+ 0 0 39 -2,-0.5 131,-0.6 142,-0.1 2,-0.5 0.957 92.1 46.3 -56.8 -57.1 -13.8 -17.2 13.4 25 31 A V B S-D 154 0B 73 129,-0.2 2,-0.2 130,-0.1 129,-0.2 -0.768 105.8-107.1 -87.2 127.9 -17.0 -18.1 11.6 26 32 A A - 0 0 20 127,-2.6 -2,-0.1 -2,-0.5 -1,-0.1 -0.405 30.1-170.6 -63.2 121.5 -20.1 -16.6 13.3 27 33 A K S S+ 0 0 161 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.393 71.3 35.9 -92.2 -2.4 -22.1 -19.4 15.1 28 34 A T S S- 0 0 55 1,-0.1 3,-0.1 -21,-0.0 -2,-0.0 -0.845 91.9 -95.4-132.5 174.6 -25.0 -17.2 15.8 29 35 A G S S- 0 0 37 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.118 76.0 -44.6 -73.7-178.8 -26.8 -14.3 14.1 30 36 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.299 69.9-173.1 -52.3 140.5 -25.9 -10.7 15.0 31 37 A R - 0 0 61 -25,-0.1 43,-2.5 39,-0.1 2,-0.7 -0.874 34.0-113.0-130.4 159.7 -25.5 -10.1 18.8 32 38 A V E -ab 8 74A 0 -25,-2.6 -23,-2.2 -2,-0.3 2,-0.6 -0.902 37.4-156.0 -90.9 114.5 -24.9 -7.3 21.2 33 39 A V E -ab 9 75A 4 41,-3.0 43,-2.8 -2,-0.7 2,-0.5 -0.857 6.8-149.4-100.1 114.3 -21.4 -8.1 22.4 34 40 A E E +ab 10 76A 52 -25,-3.1 -23,-2.8 -2,-0.6 2,-0.3 -0.781 19.3 174.7 -95.1 128.8 -20.9 -6.6 25.9 35 41 A F E - b 0 77A 3 41,-2.5 43,-2.7 -2,-0.5 2,-0.4 -0.934 13.6-160.4-127.0 150.7 -17.4 -5.5 27.0 36 42 A T E + b 0 78A 54 -25,-0.3 2,-0.4 -2,-0.3 -23,-0.2 -1.000 10.1 179.2-128.5 135.2 -16.3 -3.7 30.2 37 43 A M E - b 0 79A 0 41,-2.4 43,-2.5 -2,-0.4 2,-0.5 -0.998 14.4-153.3-134.3 141.6 -13.0 -1.8 30.5 38 44 A T E - b 0 80A 50 -2,-0.4 21,-2.2 41,-0.2 22,-0.3 -0.943 21.0-129.0-112.8 122.9 -11.7 0.0 33.5 39 45 A I E -E 58 0C 1 41,-3.1 2,-0.4 -2,-0.5 19,-0.2 -0.544 25.6-168.8 -70.5 137.2 -9.2 2.9 32.9 40 46 A E E -E 57 0C 83 17,-2.3 17,-1.9 -2,-0.2 2,-0.5 -0.947 16.1-161.7-133.8 114.1 -6.0 2.7 34.9 41 47 A E E +E 56 0C 41 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.806 37.2 154.9 -81.5 126.2 -3.5 5.5 35.3 42 48 A K E -E 55 0C 61 13,-2.0 13,-2.8 -2,-0.5 2,-0.3 -0.996 47.1-102.6-154.1 150.7 -0.4 3.7 36.6 43 49 A K E -E 54 0C 118 -2,-0.3 2,-0.4 11,-0.3 11,-0.2 -0.585 38.7-172.7 -72.6 137.1 3.4 3.8 36.7 44 50 A L E -E 53 0C 41 9,-2.3 9,-2.9 -2,-0.3 2,-0.6 -0.997 23.8-139.0-132.7 139.2 5.2 1.6 34.3 45 51 A V E -E 52 0C 79 -2,-0.4 7,-0.3 7,-0.2 6,-0.1 -0.828 24.5-179.5 -92.0 125.1 8.9 0.7 33.9 46 52 A I + 0 0 0 5,-2.6 172,-2.5 -2,-0.6 2,-0.3 0.505 52.0 31.3-111.1 -6.6 9.4 0.7 30.1 47 53 A D S > S- 0 0 15 4,-0.5 3,-1.2 170,-0.2 261,-0.0 -0.888 82.0 -99.7-147.8 173.9 13.1 -0.2 29.6 48 54 A R T 3 S+ 0 0 180 -2,-0.3 -1,-0.0 1,-0.3 -3,-0.0 0.686 115.4 64.1 -72.3 -18.9 16.0 -2.1 31.0 49 55 A E T 3 S- 0 0 158 2,-0.0 -1,-0.3 1,-0.0 -4,-0.0 0.592 116.6-109.3 -75.6 -15.0 17.5 1.1 32.6 50 56 A G < + 0 0 38 -3,-1.2 2,-0.2 1,-0.2 -2,-0.1 0.607 53.2 171.0 93.1 10.2 14.4 1.4 34.9 51 57 A T - 0 0 19 -6,-0.1 -5,-2.6 1,-0.1 -4,-0.5 -0.413 16.5-159.9 -59.1 125.7 12.8 4.4 33.2 52 58 A E E -E 45 0C 67 -7,-0.3 -7,-0.2 -2,-0.2 2,-0.2 -0.945 11.1-177.9-117.0 132.7 9.4 4.8 34.8 53 59 A I E -E 44 0C 21 -9,-2.9 -9,-2.3 -2,-0.5 2,-0.9 -0.744 35.6-110.1-120.9 165.8 6.5 6.7 33.2 54 60 A H E -E 43 0C 116 -2,-0.2 -11,-0.3 -11,-0.2 2,-0.2 -0.864 45.4-164.6 -97.0 96.8 3.0 7.6 34.1 55 61 A A E -E 42 0C 1 -13,-2.8 -13,-2.0 -2,-0.9 2,-0.5 -0.548 15.8-145.5 -83.7 154.7 1.0 5.4 31.7 56 62 A M E -E 41 0C 8 86,-2.4 2,-0.3 83,-0.2 -15,-0.2 -0.984 32.1-178.9-122.1 116.4 -2.7 5.8 30.9 57 63 A T E -E 40 0C 0 -17,-1.9 -17,-2.3 -2,-0.5 2,-0.6 -0.856 37.0-135.1-125.3 151.2 -4.3 2.5 30.2 58 64 A F E > S-EF 39 61C 0 3,-0.7 3,-1.2 85,-0.3 -19,-0.2 -0.917 100.7 -10.3 -94.1 118.2 -7.4 0.7 29.2 59 65 A N T 3 S- 0 0 69 -21,-2.2 -20,-0.2 -2,-0.6 -1,-0.2 0.667 122.8 -66.7 68.9 18.6 -7.7 -2.3 31.5 60 66 A G T 3 S+ 0 0 12 -22,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.405 107.5 97.2 92.2 -0.7 -4.2 -2.0 33.0 61 67 A S B < S-F 58 0C 6 -3,-1.2 -3,-0.7 82,-0.0 -1,-0.2 -0.871 70.9-113.2-123.9 157.5 -2.2 -2.8 29.9 62 68 A V S S+ 0 0 5 -2,-0.3 2,-0.2 153,-0.2 84,-0.1 -0.992 110.0 30.1-120.7 119.1 -0.3 -1.1 27.1 63 69 A P S S- 0 0 2 0, 0.0 83,-0.3 0, 0.0 3,-0.1 0.643 104.4-120.2 -66.8 170.0 -1.8 -1.8 24.6 64 70 A G - 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