==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JUN-11 3B0N . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR S.NAKANO,M.TAKAHASHI,A.SAKAMOTO,H.MORIKAWA,K.KATAYANAGI . 538 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 18 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 4 1 0 0 3 1 1 0 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 3 3 3 3 0 0 1 1 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 0 0 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 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 18 A V 0 0 120 0, 0.0 5,-0.1 0, 0.0 299,-0.0 0.000 360.0 360.0 360.0 123.9 -43.3 7.4 -45.9 2 19 A A > - 0 0 60 1,-0.1 3,-0.5 3,-0.0 4,-0.4 -0.057 360.0-120.4 -55.2 157.3 -40.7 9.5 -47.6 3 20 A A G > S+ 0 0 91 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.758 114.6 64.9 -68.3 -25.4 -37.6 8.0 -49.4 4 21 A E G > S+ 0 0 166 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.764 89.9 63.0 -66.9 -30.3 -35.6 10.2 -46.9 5 22 A R G < S+ 0 0 24 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.754 96.9 60.8 -65.7 -23.8 -37.0 8.1 -43.9 6 23 A L G < S+ 0 0 51 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.326 73.0 119.7 -89.8 3.8 -35.2 5.1 -45.4 7 24 A E S < S- 0 0 78 -3,-1.3 -3,-0.0 1,-0.1 2,-0.0 -0.594 76.1-109.3 -72.4 124.2 -31.7 6.6 -45.2 8 25 A P - 0 0 48 0, 0.0 274,-0.2 0, 0.0 273,-0.1 -0.340 26.5-158.0 -56.3 130.4 -29.5 4.3 -43.0 9 26 A R + 0 0 47 272,-2.9 11,-2.6 271,-0.1 2,-0.3 0.478 68.7 58.2 -93.3 -5.3 -28.9 6.3 -39.7 10 27 A V E -A 19 0A 5 9,-0.3 2,-0.3 271,-0.1 9,-0.2 -0.866 62.6-163.9-124.2 157.0 -25.8 4.5 -38.7 11 28 A E E -A 18 0A 65 7,-2.4 7,-2.5 -2,-0.3 2,-0.4 -0.992 28.8-107.1-140.3 145.5 -22.4 4.0 -40.4 12 29 A E E +A 17 0A 108 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.594 41.6 174.4 -70.3 125.8 -19.4 1.6 -39.8 13 30 A K E > -A 16 0A 106 3,-3.3 3,-1.1 -2,-0.4 -2,-0.0 -0.884 67.0 -19.6-140.7 109.5 -16.5 3.6 -38.3 14 31 A D T 3 S- 0 0 136 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.828 127.5 -50.8 63.8 36.7 -13.3 1.8 -37.2 15 32 A G T 3 S+ 0 0 42 1,-0.4 -1,-0.2 184,-0.0 2,-0.2 0.244 124.7 92.4 89.3 -11.9 -15.0 -1.6 -37.1 16 33 A Y E < S-A 13 0A 17 -3,-1.1 -3,-3.3 184,-0.1 2,-0.5 -0.618 74.6-122.2-105.0 167.3 -17.9 -0.3 -34.9 17 34 A W E +A 12 0A 58 182,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.967 35.0 177.2-113.7 126.7 -21.3 1.1 -36.0 18 35 A I E -A 11 0A 22 -7,-2.5 -7,-2.4 -2,-0.5 2,-0.3 -0.919 36.4 -93.6-130.9 153.7 -22.2 4.6 -34.8 19 36 A L E -A 10 0A 3 -2,-0.3 -9,-0.3 -9,-0.2 5,-0.1 -0.509 47.0-114.3 -63.8 124.9 -25.0 7.0 -35.3 20 37 A K > - 0 0 37 -11,-2.6 3,-1.5 -2,-0.3 4,-0.1 -0.292 26.9-113.6 -55.1 145.0 -24.4 9.4 -38.2 21 38 A E G > S+ 0 0 108 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.782 113.7 57.8 -57.6 -34.4 -24.0 13.0 -37.0 22 39 A Q G 3 S+ 0 0 106 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.746 106.7 50.1 -69.7 -20.3 -27.2 14.3 -38.7 23 40 A F G < S+ 0 0 46 -3,-1.5 -1,-0.2 -14,-0.2 -2,-0.2 0.227 85.8 87.9-103.7 15.7 -29.3 11.8 -36.7 24 41 A R X + 0 0 77 -3,-1.0 3,-0.7 -4,-0.1 2,-0.3 0.392 59.8 107.0 -95.0 -2.3 -27.9 12.6 -33.2 25 42 A K T 3 S+ 0 0 192 -3,-0.4 -3,-0.0 1,-0.2 0, 0.0 -0.633 87.9 6.7 -78.0 135.2 -30.3 15.3 -32.4 26 43 A G T 3 S+ 0 0 75 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.512 88.6 153.1 75.4 5.7 -33.0 14.5 -29.8 27 44 A I < - 0 0 16 -3,-0.7 259,-0.2 1,-0.1 -1,-0.2 -0.244 47.6-104.3 -64.6 154.7 -31.6 11.1 -28.9 28 45 A N > - 0 0 11 257,-1.7 4,-1.5 258,-0.3 3,-0.4 -0.259 36.5 -99.6 -74.8 166.2 -32.3 9.5 -25.5 29 46 A P H > S+ 0 0 85 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.808 121.0 58.0 -60.2 -29.2 -29.5 9.4 -22.8 30 47 A Q H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.893 104.3 51.3 -68.1 -40.3 -28.6 5.8 -23.5 31 48 A E H > S+ 0 0 1 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.881 107.6 54.3 -62.6 -37.1 -27.8 6.7 -27.1 32 49 A K H X S+ 0 0 110 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.904 105.6 52.5 -60.5 -42.0 -25.6 9.4 -25.8 33 50 A V H X S+ 0 0 7 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.921 108.9 50.1 -58.9 -44.5 -23.7 6.9 -23.7 34 51 A K H < S+ 0 0 7 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.861 112.2 46.6 -65.4 -37.4 -23.2 4.7 -26.8 35 52 A I H < S+ 0 0 57 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.941 106.0 58.7 -67.3 -48.6 -21.8 7.8 -28.8 36 53 A E H < S- 0 0 94 -4,-2.8 2,-0.3 1,-0.2 -2,-0.2 0.789 131.1 -6.6 -53.0 -36.3 -19.5 8.9 -25.9 37 54 A K S < S- 0 0 58 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.0 -0.831 76.0-114.8-163.3 128.9 -17.8 5.5 -26.0 38 55 A E > - 0 0 14 -2,-0.3 3,-1.7 -3,-0.2 4,-0.4 -0.470 24.5-145.6 -61.3 115.1 -18.5 2.4 -28.0 39 56 A P T > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.861 92.9 66.9 -56.0 -34.4 -19.5 -0.3 -25.3 40 57 A M T >> S+ 0 0 0 1,-0.3 4,-3.1 2,-0.2 3,-1.1 0.708 83.8 74.6 -62.8 -19.5 -17.9 -3.2 -27.3 41 58 A K H <> S+ 0 0 78 -3,-1.7 4,-1.7 1,-0.3 6,-1.7 0.847 82.8 68.5 -61.5 -32.0 -14.4 -1.6 -26.8 42 59 A L H <4 S+ 0 0 3 -3,-1.8 6,-2.2 -4,-0.4 7,-0.3 0.838 118.8 20.3 -54.1 -32.7 -14.6 -2.9 -23.1 43 60 A F H X4 S+ 0 0 59 -3,-1.1 3,-1.3 -4,-0.4 -2,-0.2 0.874 127.8 45.3 -99.8 -54.1 -14.4 -6.4 -24.5 44 61 A M H 3< S+ 0 0 76 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.1 0.717 125.5 32.3 -72.6 -24.9 -12.9 -6.2 -28.0 45 62 A E T 3< S- 0 0 115 -4,-1.7 -1,-0.3 -5,-0.4 -3,-0.1 0.090 112.0-116.9-112.0 18.9 -10.1 -3.7 -27.1 46 63 A N X> + 0 0 79 -3,-1.3 3,-1.0 1,-0.1 4,-0.6 0.761 61.6 151.3 52.9 33.8 -9.8 -5.2 -23.6 47 64 A G H 3> + 0 0 30 -6,-1.7 4,-2.1 1,-0.2 3,-0.3 0.757 62.3 72.3 -62.7 -24.0 -10.9 -1.9 -21.9 48 65 A I H 3> S+ 0 0 2 -6,-2.2 4,-2.9 -7,-0.2 -1,-0.2 0.880 85.5 66.3 -57.8 -38.3 -12.2 -4.0 -19.0 49 66 A E H <4 S+ 0 0 80 -3,-1.0 4,-0.5 -7,-0.3 -1,-0.2 0.908 109.7 33.9 -52.2 -49.2 -8.6 -4.8 -17.9 50 67 A E H >< S+ 0 0 118 -4,-0.6 3,-0.8 -3,-0.3 4,-0.4 0.883 116.8 54.4 -78.4 -37.5 -7.9 -1.2 -16.9 51 68 A L H >< S+ 0 0 8 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.906 101.6 59.6 -57.6 -42.6 -11.4 -0.4 -15.7 52 69 A A T 3< S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.702 98.0 60.0 -63.9 -21.4 -11.5 -3.4 -13.3 53 70 A K T < S+ 0 0 137 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.553 85.5 91.7 -84.1 -13.0 -8.4 -2.0 -11.4 54 71 A I S < S- 0 0 53 -3,-1.7 5,-0.1 -4,-0.4 82,-0.0 -0.741 85.2-114.9 -86.7 128.3 -10.2 1.3 -10.5 55 72 A P >> - 0 0 69 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.318 22.2-123.6 -57.5 144.4 -12.0 1.2 -7.1 56 73 A I H 3> S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 109.6 61.3 -61.0 -40.2 -15.7 1.6 -7.4 57 74 A E H 34 S+ 0 0 127 1,-0.3 -1,-0.2 2,-0.2 4,-0.0 0.819 111.6 40.9 -53.6 -34.5 -15.8 4.7 -5.2 58 75 A E H X4 S+ 0 0 108 -3,-0.8 3,-1.3 2,-0.2 4,-0.3 0.775 107.7 60.1 -85.5 -33.9 -13.5 6.4 -7.7 59 76 A I H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 7,-0.4 0.907 101.1 58.0 -57.9 -39.2 -15.4 5.0 -10.7 60 77 A D T 3< S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.572 91.0 72.5 -69.4 -8.9 -18.5 6.8 -9.4 61 78 A Q T < S+ 0 0 160 -3,-1.3 2,-0.4 -5,-0.2 -1,-0.2 0.581 95.8 48.5 -91.1 -10.3 -16.7 10.2 -9.5 62 79 A S S <> S- 0 0 57 -3,-1.2 4,-2.2 -4,-0.3 5,-0.2 -0.985 74.7-134.3-130.2 147.5 -16.7 10.6 -13.3 63 80 A K H > S+ 0 0 118 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.888 101.5 57.4 -62.2 -43.6 -19.5 10.2 -15.8 64 81 A L H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.913 113.6 36.4 -57.6 -49.5 -17.5 8.2 -18.3 65 82 A T H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.856 115.0 54.2 -78.3 -35.0 -16.5 5.4 -15.9 66 83 A K H X S+ 0 0 78 -4,-2.2 4,-2.5 -7,-0.4 5,-0.2 0.914 109.8 49.1 -60.2 -41.8 -19.8 5.4 -14.0 67 84 A D H X>S+ 0 0 24 -4,-2.8 5,-2.5 1,-0.2 4,-1.8 0.840 106.6 59.1 -63.7 -35.5 -21.6 4.9 -17.4 68 85 A D H <>S+ 0 0 4 -4,-1.4 5,-2.5 -5,-0.2 -2,-0.2 0.959 114.1 33.4 -55.1 -54.4 -19.1 2.1 -18.1 69 86 A I H <5S+ 0 0 0 -4,-2.1 11,-0.7 1,-0.2 -2,-0.2 0.844 125.1 41.2 -76.2 -31.7 -20.2 0.1 -15.0 70 87 A D H <5S+ 0 0 36 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.649 136.9 1.4 -89.6 -19.1 -23.9 1.0 -15.0 71 88 A V T ><5S+ 0 0 23 -4,-1.8 3,-1.5 -5,-0.2 4,-0.3 0.584 124.2 51.7-136.2 -61.2 -24.6 0.8 -18.8 72 89 A R G > XS+ 0 0 0 -5,-2.5 5,-2.3 -6,-0.3 3,-1.9 0.726 83.4 75.4 -61.8 -21.3 -20.9 -3.3 -19.0 74 91 A K G X 5S+ 0 0 40 -3,-1.5 83,-1.5 1,-0.3 3,-1.1 0.758 85.2 64.4 -64.2 -21.1 -24.3 -4.8 -20.0 75 92 A W G < 5S+ 0 0 0 -3,-1.8 80,-3.3 -4,-0.3 -1,-0.3 0.664 104.7 45.6 -70.1 -17.6 -22.6 -5.4 -23.4 76 93 A L G < 5S- 0 0 0 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.198 127.4-103.7-105.5 11.0 -20.4 -7.8 -21.5 77 94 A G T < 5S+ 0 0 0 -3,-1.1 15,-2.3 1,-0.2 2,-0.5 0.673 79.2 134.7 78.3 17.6 -23.3 -9.3 -19.7 78 95 A L E < -B 91 0B 0 -5,-2.3 2,-0.6 13,-0.2 -1,-0.2 -0.901 33.9-171.5-111.2 124.2 -22.6 -7.4 -16.5 79 96 A F E -B 90 0B 15 11,-3.2 11,-2.4 -2,-0.5 2,-0.2 -0.904 18.1-139.1-120.6 105.3 -25.3 -5.7 -14.5 80 97 A H E -B 89 0B 8 -11,-0.7 2,-1.5 -2,-0.6 9,-0.2 -0.428 5.2-149.2 -64.2 123.8 -24.4 -3.4 -11.6 81 98 A R > + 0 0 32 7,-2.9 4,-2.2 4,-0.4 7,-0.3 -0.526 34.3 163.2 -87.9 68.2 -26.8 -3.9 -8.7 82 99 A R T 4 + 0 0 65 -2,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.889 66.6 33.7 -62.9 -43.9 -26.3 -0.3 -7.7 83 100 A K T 4 S+ 0 0 144 -3,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.950 130.5 26.1 -77.4 -48.3 -29.3 0.1 -5.4 84 101 A N T 4 S+ 0 0 56 344,-0.5 -2,-0.2 1,-0.2 -1,-0.1 0.609 137.3 18.7-101.1 -15.8 -29.8 -3.3 -3.8 85 102 A Q S >< S- 0 0 14 -4,-2.2 3,-2.2 343,-0.2 -4,-0.4 -0.388 83.8-153.9-150.1 61.5 -26.3 -4.8 -3.8 86 103 A Y T 3 S+ 0 0 98 -3,-0.3 -4,-0.2 -4,-0.3 3,-0.1 -0.050 75.8 12.3 -47.9 130.2 -23.8 -1.9 -4.3 87 104 A G T 3 S+ 0 0 16 1,-0.3 49,-0.6 -31,-0.1 2,-0.3 0.385 105.7 103.8 86.4 -5.5 -20.5 -2.8 -6.0 88 105 A R E < - 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