==== 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 07-NOV-01 1KCB . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER CYCLOCLASTES; . AUTHOR S.Q.LIU,T.CHANG,M.Y.LIU,J.LEGALL,W.C.CHANG,J.P.ZHANG,D.C.LIA . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 67.3 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 . 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 . 33 9.9 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 . 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 0 143 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -65.8 18.4 -34.6 -6.1 2 9 A I G > + 0 0 29 1,-0.3 3,-1.3 2,-0.2 29,-0.1 0.843 360.0 62.0 -64.1 -34.9 20.5 -31.4 -6.0 3 10 A S G 3 S+ 0 0 108 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 0.821 103.8 52.5 -59.4 -28.3 23.6 -33.2 -7.0 4 11 A T G < S+ 0 0 118 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.610 89.8 99.5 -84.4 -14.7 21.7 -34.0 -10.2 5 12 A L S < S- 0 0 35 -3,-1.3 25,-0.1 -4,-0.5 2,-0.1 -0.438 79.7-109.0 -77.7 145.7 20.8 -30.4 -11.0 6 13 A P - 0 0 76 0, 0.0 25,-2.4 0, 0.0 2,-0.4 -0.406 33.7-148.1 -70.6 151.7 22.7 -28.3 -13.5 7 14 A R E -a 31 0A 112 23,-0.2 2,-0.4 -2,-0.1 25,-0.2 -0.971 14.8-174.8-127.2 139.1 24.9 -25.6 -12.1 8 15 A V E -a 32 0A 51 23,-2.1 25,-2.5 -2,-0.4 2,-0.4 -0.994 15.4-144.1-132.8 137.2 25.9 -22.2 -13.5 9 16 A K E -a 33 0A 92 -2,-0.4 2,-0.4 23,-0.2 25,-0.2 -0.847 16.6-161.7-101.2 136.7 28.3 -19.7 -12.1 10 17 A V - 0 0 20 23,-2.4 2,-0.6 -2,-0.4 25,-0.4 -0.951 11.7-142.8-122.3 141.7 27.6 -16.0 -12.4 11 18 A D - 0 0 127 -2,-0.4 9,-0.2 23,-0.1 23,-0.1 -0.887 24.8-132.8-101.6 123.1 29.9 -13.0 -12.1 12 19 A L - 0 0 30 -2,-0.6 2,-0.3 23,-0.3 54,-0.1 -0.293 14.8-147.6 -73.2 156.8 28.3 -10.0 -10.5 13 20 A V - 0 0 62 52,-0.3 52,-0.3 4,-0.2 6,-0.2 -0.858 27.5 -90.5-122.5 160.5 28.6 -6.4 -11.9 14 21 A K > - 0 0 118 -2,-0.3 3,-1.5 50,-0.1 49,-0.1 -0.457 60.5 -74.5 -73.1 136.8 28.7 -3.1 -10.1 15 22 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.297 113.2 37.0 -61.6 155.7 25.5 -1.2 -9.4 16 23 A P T 3 S+ 0 0 11 0, 0.0 154,-2.4 0, 0.0 2,-0.1 -0.984 112.7 73.5 -79.2 3.9 23.5 0.4 -11.0 17 24 A F S < S- 0 0 127 -3,-1.5 48,-0.4 152,-0.2 2,-0.4 -0.359 71.4-143.1 -77.0 159.3 24.2 -2.2 -13.6 18 25 A V - 0 0 28 150,-0.3 3,-0.1 -3,-0.1 -4,-0.1 -0.972 18.9-106.8-128.2 140.8 22.9 -5.8 -13.4 19 26 A H - 0 0 9 46,-0.5 -7,-0.1 -2,-0.4 -9,-0.0 -0.175 51.1 -81.6 -62.1 153.7 24.5 -9.1 -14.5 20 27 A A + 0 0 96 -9,-0.2 2,-0.3 -8,-0.0 -1,-0.1 -0.248 64.8 146.9 -57.8 140.9 23.3 -10.9 -17.6 21 28 A H - 0 0 49 -3,-0.1 2,-0.4 47,-0.0 47,-0.1 -0.970 45.5-106.7-165.5 168.9 20.2 -13.0 -17.1 22 29 A D - 0 0 72 -2,-0.3 132,-0.1 1,-0.2 3,-0.1 -0.904 13.7-153.9-108.7 135.2 17.1 -14.3 -18.9 23 30 A Q S S+ 0 0 39 -2,-0.4 2,-0.6 1,-0.2 131,-0.6 0.956 92.0 42.8 -71.5 -50.7 13.7 -12.9 -18.0 24 31 A V B S-D 153 0B 84 129,-0.2 -1,-0.2 130,-0.1 129,-0.2 -0.869 102.3-116.5 -96.6 121.1 11.8 -16.0 -19.1 25 32 A A - 0 0 17 127,-1.7 -2,-0.1 -2,-0.6 -1,-0.0 -0.344 26.5-171.6 -59.4 131.6 13.7 -19.1 -17.9 26 33 A K S S+ 0 0 173 2,-0.1 2,-0.2 -2,-0.1 -1,-0.2 0.480 70.4 44.1-101.0 -8.3 14.9 -21.2 -20.8 27 34 A T S S- 0 0 61 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.769 89.4-100.1-128.2 173.7 16.1 -24.0 -18.6 28 35 A G S S- 0 0 36 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.164 70.4 -45.3 -82.9-174.5 14.6 -25.9 -15.6 29 36 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.180 68.1 179.4 -54.0 143.8 15.7 -25.2 -12.0 30 37 A R - 0 0 58 39,-0.1 43,-2.9 -25,-0.1 2,-0.7 -0.879 36.7-105.0-140.4 171.5 19.4 -24.9 -11.4 31 38 A V E -ab 7 73A 0 -25,-2.4 -23,-2.1 -2,-0.3 2,-0.6 -0.914 37.0-158.0-101.0 113.0 22.0 -24.2 -8.7 32 39 A V E -ab 8 74A 5 41,-3.2 43,-2.8 -2,-0.7 2,-0.5 -0.867 6.7-154.2 -98.5 118.1 23.1 -20.6 -9.3 33 40 A E E +ab 9 75A 51 -25,-2.5 -23,-2.4 -2,-0.6 2,-0.3 -0.805 16.2 174.6-100.4 129.2 26.5 -19.9 -7.8 34 41 A F E - b 0 76A 2 41,-2.6 43,-2.4 -2,-0.5 2,-0.4 -0.916 15.3-154.7-126.7 154.3 27.7 -16.5 -6.7 35 42 A T E - b 0 77A 42 -25,-0.4 2,-0.4 -2,-0.3 -23,-0.3 -0.998 13.4-179.6-131.4 128.5 30.9 -15.3 -4.9 36 43 A M E - b 0 78A 0 41,-2.5 43,-2.5 -2,-0.4 2,-0.5 -0.989 13.4-153.6-130.8 140.6 31.1 -12.2 -2.8 37 44 A T E - b 0 79A 45 -2,-0.4 21,-2.6 41,-0.2 22,-0.4 -0.954 18.7-130.5-115.3 126.9 34.0 -10.7 -0.9 38 45 A I E -E 57 0C 0 41,-3.2 2,-0.4 -2,-0.5 19,-0.2 -0.510 26.4-171.3 -74.3 141.7 33.4 -8.4 2.1 39 46 A E E -E 56 0C 77 17,-2.7 17,-2.1 -2,-0.2 2,-0.6 -0.894 17.3-162.9-144.5 111.8 35.3 -5.2 2.0 40 47 A E E +E 55 0C 29 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.811 36.7 152.5 -89.1 123.3 35.7 -2.6 4.8 41 48 A K E -E 54 0C 74 13,-2.5 13,-2.7 -2,-0.6 2,-0.3 -0.991 48.1 -99.0-153.4 160.2 36.9 0.6 3.1 42 49 A K E -E 53 0C 102 -2,-0.3 2,-0.4 11,-0.3 11,-0.2 -0.589 39.2-178.0 -80.2 141.1 37.0 4.4 3.2 43 50 A L E -E 52 0C 42 9,-2.7 9,-2.9 -2,-0.3 2,-0.6 -0.999 22.6-142.6-139.7 134.3 34.5 6.2 1.0 44 51 A V E -E 51 0C 81 -2,-0.4 7,-0.3 7,-0.2 6,-0.1 -0.907 18.8-175.2-101.8 125.2 34.0 9.9 0.5 45 52 A I + 0 0 2 5,-2.2 172,-2.8 -2,-0.6 2,-0.3 0.508 53.4 33.7 -98.6 -8.2 30.3 10.5 0.2 46 53 A D S > S- 0 0 20 4,-0.6 3,-1.5 170,-0.2 164,-0.0 -0.884 82.9 -97.6-142.8 175.3 29.9 14.2 -0.6 47 54 A R T 3 S+ 0 0 186 -2,-0.3 -1,-0.0 1,-0.3 -3,-0.0 0.679 116.5 61.7 -67.2 -20.6 31.4 17.2 -2.5 48 55 A E T 3 S- 0 0 160 2,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.482 119.5-108.1 -84.3 -3.2 33.1 18.6 0.7 49 56 A G < + 0 0 37 -3,-1.5 2,-0.2 1,-0.2 -2,-0.1 0.697 50.6 177.6 86.0 21.0 35.1 15.4 0.9 50 57 A T - 0 0 9 -6,-0.1 -5,-2.2 1,-0.1 -4,-0.6 -0.402 15.7-155.1 -60.0 125.2 33.3 13.8 3.9 51 58 A E E +E 44 0C 62 -7,-0.3 2,-0.3 -2,-0.2 -7,-0.2 -0.866 16.4 177.3-112.3 140.6 34.9 10.4 4.5 52 59 A I E -E 43 0C 21 -9,-2.9 -9,-2.7 -2,-0.4 2,-0.8 -0.852 35.6-115.5-132.7 167.7 33.5 7.3 6.1 53 60 A H E -E 42 0C 30 -2,-0.3 -11,-0.3 -11,-0.2 2,-0.2 -0.873 42.1-163.7-105.5 94.7 34.6 3.7 6.8 54 61 A A E -E 41 0C 1 -13,-2.7 -13,-2.5 -2,-0.8 2,-0.6 -0.475 16.1-145.2 -82.3 151.9 32.1 1.7 4.8 55 62 A M E -E 40 0C 2 86,-1.9 2,-0.3 -15,-0.2 -15,-0.2 -0.976 33.9-178.3-116.1 113.1 31.4 -2.0 5.2 56 63 A T E -E 39 0C 0 -17,-2.1 -17,-2.7 -2,-0.6 2,-0.6 -0.809 36.7-133.6-123.1 159.5 30.6 -3.4 1.8 57 64 A F E > S-EF 38 60C 0 3,-0.8 3,-1.1 85,-0.3 -19,-0.2 -0.937 101.7 -10.3-103.0 115.7 29.6 -6.6 -0.1 58 65 A N T 3 S- 0 0 42 -21,-2.6 -1,-0.2 -2,-0.6 -20,-0.2 0.706 122.7 -68.1 66.5 21.6 32.0 -6.8 -3.1 59 66 A G T 3 S+ 0 0 9 -22,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.571 107.3 99.3 79.1 10.4 33.3 -3.3 -2.7 60 67 A S B < S-F 57 0C 15 -3,-1.1 -3,-0.8 82,-0.1 -1,-0.2 -0.903 70.2-114.1-131.5 158.7 30.2 -1.3 -3.5 61 68 A V S S+ 0 0 10 -2,-0.3 2,-0.2 153,-0.1 111,-0.1 -0.971 109.1 30.9-128.9 110.5 27.3 0.5 -1.8 62 69 A P S S- 0 0 2 0, 0.0 83,-0.2 0, 0.0 3,-0.1 0.582 105.0-119.1 -75.9 174.2 24.9 -1.0 -2.4 63 70 A G - 0 0 0 81,-2.7 83,-0.3 64,-0.2 -5,-0.1 -0.334 49.6 -75.4 -68.9 161.8 26.1 -4.5 -2.8 64 71 A P - 0 0 2 0, 0.0 82,-0.5 0, 0.0 2,-0.5 -0.171 45.6-110.0 -62.8 153.0 25.5 -6.1 -6.2 65 72 A L E -g 146 0D 5 -48,-0.4 -46,-0.5 -52,-0.3 2,-0.4 -0.715 29.0-153.0 -85.1 127.0 22.1 -7.2 -7.4 66 73 A M E -g 147 0D 0 80,-1.6 82,-3.6 -2,-0.5 2,-0.5 -0.818 7.6-160.1 -99.0 139.7 21.7 -11.0 -7.8 67 74 A V E +g 148 0D 5 -2,-0.4 2,-0.2 80,-0.2 82,-0.2 -0.980 23.7 143.8-127.3 124.3 19.2 -12.4 -10.2 68 75 A V E -g 149 0D 3 80,-2.6 82,-2.5 -2,-0.5 2,-0.3 -0.782 41.0-105.4-139.7-177.6 17.8 -15.9 -10.2 69 76 A H E > -g 150 0D 8 80,-0.2 3,-2.1 -2,-0.2 50,-0.2 -0.849 46.8 -77.2-117.8 156.0 14.4 -17.6 -11.0 70 77 A E T 3 S+ 0 0 35 80,-2.6 50,-0.2 -2,-0.3 3,-0.1 -0.212 117.2 13.3 -51.4 130.7 11.8 -19.0 -8.7 71 78 A N T 3 S+ 0 0 54 48,-3.3 -1,-0.3 1,-0.3 49,-0.1 0.526 93.3 128.4 77.1 10.0 12.7 -22.4 -7.3 72 79 A D < - 0 0 1 -3,-2.1 47,-2.3 47,-0.4 2,-0.5 -0.452 62.9-117.2 -82.1 166.3 16.4 -22.1 -8.4 73 80 A Y E -bC 31 118A 36 -43,-2.9 -41,-3.2 45,-0.2 2,-0.6 -0.947 20.5-146.6-110.5 127.5 18.9 -22.8 -5.6 74 81 A V E -bC 32 117A 0 43,-3.0 43,-2.1 -2,-0.5 2,-0.6 -0.824 14.5-173.0 -94.6 123.5 21.2 -19.9 -4.6 75 82 A E E -bC 33 116A 32 -43,-2.8 -41,-2.6 -2,-0.6 2,-0.5 -0.947 6.3-172.3-119.8 112.0 24.6 -20.9 -3.5 76 83 A L E -bC 34 115A 3 39,-2.9 39,-2.5 -2,-0.6 2,-0.7 -0.890 17.2-157.5-111.4 131.8 26.8 -18.1 -2.1 77 84 A R E -bC 35 114A 101 -43,-2.4 -41,-2.5 -2,-0.5 2,-0.6 -0.926 18.7-163.9-102.2 114.1 30.4 -18.3 -1.2 78 85 A L E -bC 36 113A 1 35,-2.7 35,-1.9 -2,-0.7 2,-0.4 -0.905 4.3-168.1-106.6 121.1 31.0 -15.5 1.3 79 86 A I E -bC 37 112A 30 -43,-2.5 -41,-3.2 -2,-0.6 33,-0.2 -0.910 14.0-171.2-114.0 132.4 34.6 -14.4 1.9 80 87 A N E - 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0 0 82 -2,-0.5 3,-1.8 -21,-0.2 -28,-0.2 -0.450 51.3 -68.8 -85.8 163.7 35.6 -13.6 11.1 109 116 A P T 3 S+ 0 0 46 0, 0.0 -27,-0.3 0, 0.0 -1,-0.2 -0.310 128.2 30.5 -54.8 134.0 38.4 -11.9 9.1 110 117 A G T 3 S+ 0 0 53 -30,-3.3 2,-0.3 1,-0.4 -28,-0.1 0.507 104.6 103.2 93.8 5.9 40.3 -14.7 7.4 111 118 A E E < -C 80 0A 87 -3,-1.8 -31,-2.7 -31,-1.0 -1,-0.4 -0.784 44.4-175.6-120.0 163.5 37.3 -16.9 7.1 112 119 A E E -C 79 0A 95 -2,-0.3 2,-0.3 -33,-0.2 -33,-0.2 -0.951 2.2-176.1-149.5 164.2 34.8 -17.9 4.4 113 120 A T E -C 78 0A 38 -35,-1.9 -35,-2.7 -2,-0.3 2,-0.4 -0.965 18.4-134.1-157.2 166.0 31.7 -20.0 4.1 114 121 A T E -C 77 0A 76 -2,-0.3 2,-0.4 -37,-0.2 -37,-0.2 -0.979 19.8-173.6-135.6 122.5 29.1 -21.2 1.6 115 122 A L E -C 76 0A 20 -39,-2.5 -39,-2.9 -2,-0.4 2,-0.4 -0.876 3.9-166.7-114.7 145.0 25.4 -21.1 2.0 116 123 A R E +C 75 0A 126 -2,-0.4 2,-0.3 -41,-0.2 -41,-0.2 -0.998 12.7 167.2-131.7 136.7 22.7 -22.5 -0.2 117 124 A F E -C 74 0A 22 -43,-2.1 -43,-3.0 -2,-0.4 2,-0.5 -0.990 35.4-112.7-147.0 152.1 19.0 -21.7 -0.1 118 125 A K E -C 73 0A 90 -2,-0.3 2,-1.8 -45,-0.2 -22,-0.2 -0.761 21.4-138.1 -88.7 125.7 15.9 -22.3 -2.2 119 126 A A + 0 0 0 -47,-2.3 -48,-3.3 -2,-0.5 -47,-0.4 -0.575 38.5 161.3 -82.4 79.3 14.4 -19.2 -3.8 120 127 A T + 0 0 47 -2,-1.8 -1,-0.2 -26,-0.3 -25,-0.1 0.632 53.7 56.9 -77.8 -16.4 10.8 -20.2 -3.1 121 128 A K S S- 0 0 115 -27,-0.4 2,-0.2 -3,-0.2 28,-0.1 -0.967 76.6-133.0-124.1 129.4 9.1 -16.8 -3.5 122 129 A P + 0 0 6 0, 0.0 142,-0.5 0, 0.0 2,-0.3 -0.473 58.4 71.0 -79.0 146.7 9.3 -14.4 -6.5 123 130 A G E S- I 0 149D 0 26,-2.7 26,-3.4 139,-0.2 2,-0.4 -0.832 83.9 -62.9 142.0 180.0 10.1 -10.7 -6.1 124 131 A V E - 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