==== 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 13-JUL-05 2BWD . 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) . 16088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 66.2 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 . 75 22.5 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 . 41 12.3 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 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 . 5 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 3 1 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 0 149 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 135.6 -34.5 -5.6 13.9 2 8 A D > - 0 0 101 1,-0.1 3,-1.9 2,-0.1 4,-0.3 -0.433 360.0-140.2 -60.4 123.0 -35.3 -4.2 17.5 3 9 A I G > S+ 0 0 40 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.806 96.7 65.6 -65.3 -30.3 -32.0 -4.5 19.4 4 10 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.696 96.4 59.3 -67.4 -14.5 -33.8 -5.6 22.7 5 11 A T G < S+ 0 0 93 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.503 88.4 93.7 -84.9 -9.4 -34.8 -8.8 20.8 6 12 A L S < S- 0 0 36 -3,-1.8 25,-0.1 -4,-0.3 2,-0.0 -0.533 85.3 -96.7 -82.3 156.2 -31.2 -9.9 20.0 7 13 A P - 0 0 71 0, 0.0 25,-2.5 0, 0.0 2,-0.4 -0.365 33.1-142.6 -62.2 147.7 -29.0 -12.2 22.2 8 14 A R E -a 32 0A 114 23,-0.2 2,-0.4 -4,-0.1 25,-0.2 -0.932 16.9-173.7-108.0 137.6 -26.6 -10.6 24.7 9 15 A V E -a 33 0A 41 23,-2.2 25,-3.0 -2,-0.4 2,-0.5 -1.000 15.2-142.9-131.6 129.7 -23.2 -12.2 25.3 10 16 A K E -a 34 0A 144 -2,-0.4 2,-0.4 23,-0.2 25,-0.2 -0.830 13.4-152.1 -93.6 125.8 -20.7 -11.0 27.9 11 17 A V - 0 0 21 23,-2.9 2,-0.6 -2,-0.5 25,-0.3 -0.821 4.3-153.7 -93.0 139.8 -17.0 -11.1 27.0 12 18 A D - 0 0 127 -2,-0.4 9,-0.3 9,-0.1 23,-0.1 -0.954 25.1-141.5-111.9 109.6 -14.3 -11.5 29.7 13 19 A L - 0 0 33 -2,-0.6 2,-0.3 23,-0.2 6,-0.1 -0.218 10.2-149.7 -70.9 158.3 -11.1 -9.9 28.3 14 20 A V - 0 0 62 52,-0.3 52,-0.3 4,-0.2 6,-0.2 -0.861 27.7 -92.7-124.0 161.9 -7.5 -11.1 28.7 15 21 A K > - 0 0 129 -2,-0.3 3,-1.5 50,-0.1 49,-0.1 -0.564 61.8 -73.2 -74.5 137.1 -4.2 -9.3 28.8 16 22 A P T 3 S+ 0 0 2 0, 0.0 3,-0.1 0, 0.0 156,-0.1 -0.256 113.0 39.7 -58.5 149.8 -2.2 -8.8 25.5 17 23 A P T 3 S+ 0 0 8 0, 0.0 154,-2.2 0, 0.0 2,-0.1 -0.981 111.2 71.5 -86.7 2.8 -0.7 -10.4 23.7 18 24 A F S < S- 0 0 115 -3,-1.5 48,-0.5 152,-0.2 2,-0.4 -0.332 72.1-142.3 -72.5 165.1 -3.3 -13.1 24.3 19 25 A V - 0 0 25 150,-0.3 3,-0.1 -3,-0.1 150,-0.1 -0.993 18.5-106.7-135.3 136.8 -6.9 -12.7 22.9 20 26 A H - 0 0 10 46,-0.6 -7,-0.1 -2,-0.4 -9,-0.0 -0.099 51.2 -80.9 -60.4 160.9 -10.3 -13.6 24.4 21 27 A A + 0 0 95 -9,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.284 62.6 145.0 -69.9 141.2 -12.2 -16.6 23.1 22 28 A H - 0 0 49 -3,-0.1 2,-0.5 47,-0.0 47,-0.1 -0.958 45.1-109.9-160.4 171.1 -14.2 -16.3 19.9 23 29 A D - 0 0 70 -2,-0.3 132,-0.1 1,-0.2 4,-0.1 -0.970 14.7-147.2-115.6 131.2 -15.3 -18.3 16.8 24 30 A Q S S+ 0 0 40 -2,-0.5 131,-0.6 142,-0.1 2,-0.5 0.962 93.4 46.0 -58.9 -55.1 -13.9 -17.3 13.4 25 31 A V B S-D 154 0B 75 129,-0.2 129,-0.2 130,-0.1 2,-0.2 -0.776 106.9-106.5 -86.6 126.2 -17.1 -18.3 11.6 26 32 A A - 0 0 19 127,-2.7 -2,-0.1 -2,-0.5 -1,-0.1 -0.395 28.6-168.5 -62.4 125.9 -20.2 -16.9 13.4 27 33 A K S S+ 0 0 162 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.1 0.360 71.8 33.0 -92.1 -3.2 -22.1 -19.6 15.2 28 34 A T S S- 0 0 54 1,-0.1 3,-0.1 -21,-0.0 -2,-0.0 -0.846 91.6 -93.6-136.5 173.3 -25.2 -17.4 16.0 29 35 A G S S- 0 0 36 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.104 76.9 -44.4 -71.6-177.5 -27.0 -14.5 14.3 30 36 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.314 69.8-171.8 -52.4 141.9 -26.0 -10.9 15.1 31 37 A R - 0 0 61 -25,-0.1 43,-2.4 39,-0.1 2,-0.7 -0.865 33.6-112.7-132.0 159.4 -25.6 -10.2 18.9 32 38 A V E -ab 8 74A 0 -25,-2.5 -23,-2.2 -2,-0.3 2,-0.6 -0.910 38.2-155.6 -88.7 113.5 -25.1 -7.4 21.4 33 39 A V E -ab 9 75A 4 41,-3.1 43,-2.8 -2,-0.7 2,-0.5 -0.861 6.8-148.6-102.5 116.6 -21.5 -8.2 22.6 34 40 A E E +ab 10 76A 50 -25,-3.0 -23,-2.9 -2,-0.6 2,-0.3 -0.782 20.1 173.7 -95.5 124.1 -21.0 -6.8 26.1 35 41 A F E - b 0 77A 4 41,-2.6 43,-2.6 -2,-0.5 2,-0.4 -0.920 13.3-162.7-124.8 149.0 -17.5 -5.5 27.2 36 42 A T E + b 0 78A 54 -2,-0.3 2,-0.4 -25,-0.3 -23,-0.2 -1.000 9.7 179.3-128.2 135.5 -16.4 -3.8 30.4 37 43 A M E - b 0 79A 0 41,-2.4 43,-2.4 -2,-0.4 2,-0.5 -0.997 14.8-151.8-134.3 141.8 -13.0 -1.9 30.8 38 44 A T E - b 0 80A 52 -2,-0.4 21,-2.1 41,-0.2 22,-0.3 -0.962 20.1-129.2-111.3 121.5 -11.7 -0.0 33.8 39 45 A I E -E 58 0C 1 41,-2.8 2,-0.4 -2,-0.5 19,-0.2 -0.509 26.0-169.9 -67.4 137.4 -9.3 2.9 33.2 40 46 A E E -E 57 0C 82 17,-2.3 17,-2.0 -2,-0.2 2,-0.5 -0.951 16.0-161.6-136.8 114.6 -6.1 2.7 35.2 41 47 A E E +E 56 0C 41 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.829 36.8 154.1 -80.9 126.6 -3.5 5.5 35.6 42 48 A K E -E 55 0C 60 13,-1.9 13,-2.7 -2,-0.5 2,-0.2 -0.995 47.7-102.1-155.2 151.7 -0.3 3.7 36.9 43 49 A K E -E 54 0C 123 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.582 38.8-172.7 -72.7 139.4 3.4 3.9 37.0 44 50 A L E -E 53 0C 39 9,-2.2 9,-2.6 -2,-0.2 2,-0.6 -0.999 23.3-139.1-136.8 136.5 5.2 1.6 34.5 45 51 A V E -E 52 0C 78 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.843 24.5-179.7 -90.3 124.3 8.9 0.8 34.1 46 52 A I + 0 0 0 5,-2.5 172,-2.5 -2,-0.6 2,-0.3 0.524 51.9 32.5-111.8 -5.2 9.5 0.7 30.3 47 53 A D S > S- 0 0 15 4,-0.5 3,-1.1 170,-0.2 261,-0.0 -0.871 82.3-100.0-146.1 174.2 13.2 -0.1 29.8 48 54 A R T 3 S+ 0 0 182 -2,-0.3 -3,-0.0 1,-0.2 -1,-0.0 0.688 115.3 63.7 -70.2 -21.1 16.2 -2.1 31.3 49 55 A E T 3 S- 0 0 157 2,-0.0 -1,-0.2 1,-0.0 -4,-0.0 0.593 117.0-108.2 -77.6 -11.6 17.6 1.1 32.9 50 56 A G < + 0 0 41 -3,-1.1 2,-0.1 1,-0.2 -2,-0.1 0.596 53.4 171.2 92.4 12.0 14.5 1.5 35.1 51 57 A T - 0 0 19 -6,-0.1 -5,-2.5 1,-0.0 -4,-0.5 -0.371 16.7-159.9 -61.4 126.1 12.9 4.5 33.4 52 58 A E E -E 45 0C 67 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.943 12.0-179.9-117.2 127.4 9.5 4.9 35.0 53 59 A I E -E 44 0C 21 -9,-2.6 -9,-2.2 -2,-0.4 2,-0.9 -0.775 36.2-108.7-118.0 168.6 6.6 6.8 33.4 54 60 A H E -E 43 0C 119 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.2 -0.868 44.4-162.8 -96.8 100.8 3.0 7.6 34.3 55 61 A A E -E 42 0C 2 -13,-2.7 -13,-1.9 -2,-0.9 2,-0.5 -0.530 15.0-146.3 -85.3 152.3 1.0 5.5 31.9 56 62 A M E -E 41 0C 8 86,-2.4 2,-0.3 83,-0.2 -15,-0.2 -0.979 32.9-178.6-119.3 114.3 -2.7 5.9 31.0 57 63 A T E -E 40 0C 0 -17,-2.0 -17,-2.3 -2,-0.5 2,-0.6 -0.841 37.9-136.6-123.4 152.6 -4.3 2.5 30.4 58 64 A F E > S-EF 39 61C 0 3,-0.6 3,-1.1 85,-0.3 -19,-0.2 -0.927 100.6 -10.6 -93.1 116.6 -7.4 0.7 29.5 59 65 A N T 3 S- 0 0 69 -21,-2.1 -20,-0.2 -2,-0.6 -1,-0.1 0.661 122.0 -67.5 67.8 18.1 -7.7 -2.4 31.8 60 66 A G T 3 S+ 0 0 13 -22,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.416 107.8 98.6 93.2 -2.7 -4.2 -2.0 33.3 61 67 A S B < S-F 58 0C 6 -3,-1.1 -3,-0.6 82,-0.1 -1,-0.2 -0.867 70.6-114.6-122.7 154.8 -2.2 -2.8 30.1 62 68 A V S S+ 0 0 7 -2,-0.3 2,-0.1 153,-0.2 84,-0.1 -0.995 109.6 30.7-120.8 116.4 -0.3 -1.1 27.3 63 69 A P S S- 0 0 3 0, 0.0 83,-0.3 0, 0.0 3,-0.1 0.682 104.2-121.1 -69.3 172.1 -1.8 -1.8 24.8 64 70 A G - 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