==== 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 09-JUN-11 3B0G . 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) . 21242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 66.4 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 . 88 16.4 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 . 3 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 . 18 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 0 2 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 . 3 4 2 4 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 . 3 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 0 130 0, 0.0 5,-0.0 0, 0.0 299,-0.0 0.000 360.0 360.0 360.0 121.9 -43.6 6.8 -46.4 2 19 A A > - 0 0 67 1,-0.1 3,-1.1 3,-0.0 4,-0.3 -0.186 360.0-121.1 -64.4 151.3 -40.8 8.9 -48.1 3 20 A A G > S+ 0 0 87 1,-0.2 3,-1.4 2,-0.2 4,-0.1 0.802 110.0 66.6 -60.9 -31.9 -37.7 7.4 -49.6 4 21 A E G > S+ 0 0 169 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.789 89.6 64.8 -60.6 -30.9 -35.5 9.5 -47.2 5 22 A R G < S+ 0 0 27 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.725 95.4 60.4 -63.9 -21.7 -36.9 7.5 -44.2 6 23 A L G < S+ 0 0 51 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.387 72.8 118.5 -92.9 2.8 -35.2 4.4 -45.7 7 24 A E S < S- 0 0 81 -3,-1.4 -3,-0.0 -4,-0.1 0, 0.0 -0.564 76.8-109.5 -68.1 123.0 -31.6 5.8 -45.5 8 25 A P - 0 0 45 0, 0.0 274,-0.2 0, 0.0 273,-0.1 -0.322 25.7-157.3 -54.7 134.9 -29.6 3.6 -43.1 9 26 A R + 0 0 51 272,-2.7 11,-2.9 271,-0.1 2,-0.3 0.569 69.4 57.7 -96.4 -11.8 -28.9 5.6 -39.9 10 27 A V E -A 19 0A 3 9,-0.3 2,-0.3 271,-0.1 9,-0.2 -0.812 63.2-164.9-116.7 159.2 -25.8 3.7 -38.8 11 28 A E E -A 18 0A 64 7,-2.5 7,-2.7 -2,-0.3 2,-0.4 -0.983 27.0-107.1-141.4 151.8 -22.5 3.1 -40.5 12 29 A E E +A 17 0A 99 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.652 39.1 173.9 -77.4 130.6 -19.5 0.7 -40.0 13 30 A K E > -A 16 0A 105 3,-3.3 3,-1.8 -2,-0.4 -2,-0.0 -0.934 66.1 -24.5-142.6 116.3 -16.4 2.5 -38.7 14 31 A D T 3 S- 0 0 142 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.809 127.7 -44.6 52.6 39.8 -13.3 0.6 -37.6 15 32 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.3 184,-0.0 2,-0.3 0.333 124.2 85.2 93.6 -5.9 -15.1 -2.7 -37.0 16 33 A Y E < S-A 13 0A 19 -3,-1.8 -3,-3.3 184,-0.1 2,-0.5 -0.800 74.4-118.4-124.4 165.7 -18.1 -1.3 -35.1 17 34 A W E +A 12 0A 55 182,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.927 34.8 177.7-112.7 125.0 -21.4 0.2 -36.0 18 35 A I E -A 11 0A 25 -7,-2.7 -7,-2.5 -2,-0.5 2,-0.2 -0.926 36.0 -97.6-129.4 147.5 -22.2 3.8 -35.1 19 36 A L E -A 10 0A 1 -2,-0.3 -9,-0.3 -9,-0.2 5,-0.1 -0.447 47.3-112.5 -59.6 128.2 -25.0 6.3 -35.6 20 37 A K > - 0 0 36 -11,-2.9 3,-2.0 -2,-0.2 4,-0.1 -0.325 27.8-111.6 -59.8 147.1 -24.2 8.6 -38.5 21 38 A E G > S+ 0 0 124 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.833 115.3 55.0 -52.4 -39.5 -23.6 12.3 -37.4 22 39 A Q G 3 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.528 105.4 53.7 -76.4 -5.3 -26.9 13.5 -39.0 23 40 A F G < S+ 0 0 47 -3,-2.0 -1,-0.2 -14,-0.2 -2,-0.2 0.203 82.5 89.1-112.5 16.5 -29.0 11.0 -37.1 24 41 A R X + 0 0 82 -3,-1.2 3,-1.1 -4,-0.1 2,-0.2 0.557 57.2 110.2 -92.5 -10.0 -27.8 11.9 -33.6 25 42 A K T 3 S+ 0 0 202 1,-0.2 -3,-0.0 -3,-0.2 0, 0.0 -0.459 86.8 5.0 -67.7 135.1 -30.4 14.6 -32.8 26 43 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.2 -2,-0.2 261,-0.1 0.545 88.5 153.9 75.4 11.0 -33.0 13.8 -30.2 27 44 A I < - 0 0 18 -3,-1.1 259,-0.2 1,-0.1 -1,-0.2 -0.282 45.8-104.1 -72.3 157.2 -31.6 10.4 -29.2 28 45 A N > - 0 0 10 257,-1.8 4,-1.4 258,-0.3 3,-0.4 -0.226 34.9-100.5 -75.7 167.0 -32.2 8.9 -25.8 29 46 A P H > S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.812 120.7 57.8 -60.7 -30.7 -29.5 8.7 -23.1 30 47 A Q H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.885 104.1 52.0 -67.4 -38.6 -28.6 5.1 -23.8 31 48 A E H > S+ 0 0 1 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.863 107.7 53.0 -62.6 -36.1 -27.8 6.0 -27.4 32 49 A K H X S+ 0 0 106 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.898 105.9 53.1 -66.8 -39.7 -25.5 8.7 -26.0 33 50 A V H X S+ 0 0 6 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.932 108.8 49.9 -56.8 -47.1 -23.8 6.1 -23.9 34 51 A K H < S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.844 112.7 46.4 -64.0 -36.0 -23.1 3.9 -26.9 35 52 A I H < S+ 0 0 54 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.904 105.9 58.9 -69.9 -42.9 -21.7 6.9 -28.9 36 53 A E H < S- 0 0 98 -4,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.850 130.2 -6.1 -59.9 -38.0 -19.5 8.0 -26.1 37 54 A K S < S- 0 0 58 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.0 -0.869 76.3-113.9-159.2 131.8 -17.7 4.6 -26.0 38 55 A E > - 0 0 14 -2,-0.3 3,-1.4 -3,-0.2 4,-0.4 -0.462 22.2-149.3 -62.7 115.1 -18.4 1.4 -27.9 39 56 A P T > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.845 91.4 65.4 -57.0 -35.6 -19.5 -1.2 -25.4 40 57 A M T >> S+ 0 0 0 1,-0.3 4,-3.1 2,-0.2 3,-1.1 0.717 85.1 73.9 -64.4 -19.7 -18.1 -4.1 -27.4 41 58 A K H <> S+ 0 0 77 -3,-1.4 6,-1.9 1,-0.2 4,-1.6 0.790 82.1 69.7 -62.3 -27.6 -14.5 -2.7 -26.9 42 59 A L H <4 S+ 0 0 3 -3,-1.8 6,-2.5 -4,-0.4 7,-0.3 0.843 118.3 20.1 -58.8 -32.2 -14.7 -3.9 -23.2 43 60 A F H X4 S+ 0 0 63 -3,-1.1 3,-1.1 -4,-0.4 -2,-0.2 0.861 127.7 46.2 -97.9 -54.9 -14.5 -7.5 -24.6 44 61 A M H 3< S+ 0 0 71 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.1 0.726 126.8 29.9 -70.8 -24.9 -13.1 -7.3 -28.1 45 62 A E T 3< S- 0 0 115 -4,-1.6 -1,-0.3 -5,-0.3 -3,-0.1 0.146 112.0-116.1-114.4 14.9 -10.3 -4.9 -27.2 46 63 A N X> + 0 0 74 -3,-1.1 3,-1.3 1,-0.1 4,-0.5 0.790 60.5 153.4 55.5 33.6 -10.0 -6.3 -23.6 47 64 A G H 3> + 0 0 32 -6,-1.9 4,-1.9 1,-0.2 3,-0.4 0.789 63.2 71.7 -57.4 -28.3 -11.0 -3.0 -22.1 48 65 A I H 3> S+ 0 0 2 -6,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.813 83.4 68.8 -59.3 -31.7 -12.4 -5.0 -19.1 49 66 A E H <4 S+ 0 0 82 -3,-1.3 4,-0.3 -7,-0.3 -1,-0.2 0.927 109.6 31.6 -57.5 -49.4 -8.8 -5.9 -18.0 50 67 A E H >X S+ 0 0 112 -4,-0.5 3,-1.0 -3,-0.4 4,-0.5 0.862 116.6 57.2 -78.2 -36.0 -8.0 -2.3 -16.9 51 68 A L H >< S+ 0 0 8 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.908 101.5 57.4 -58.0 -42.5 -11.6 -1.4 -15.8 52 69 A A T 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.658 99.4 59.9 -65.3 -18.4 -11.7 -4.3 -13.4 53 70 A K T <4 S+ 0 0 133 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.638 84.3 93.8 -83.7 -17.6 -8.6 -3.0 -11.6 54 71 A I S << S- 0 0 49 -3,-1.5 5,-0.1 -4,-0.5 82,-0.0 -0.658 85.5-115.0 -81.6 124.4 -10.3 0.3 -10.7 55 72 A P >> - 0 0 80 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.317 24.4-122.8 -56.3 139.6 -12.0 0.4 -7.2 56 73 A I H 3> S+ 0 0 32 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.808 110.3 58.9 -60.4 -32.3 -15.7 0.8 -7.6 57 74 A E H 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.865 110.0 44.7 -64.7 -34.1 -15.9 3.9 -5.5 58 75 A E H X4 S+ 0 0 110 -3,-0.9 3,-1.6 2,-0.2 4,-0.3 0.892 109.0 56.2 -72.1 -43.0 -13.4 5.5 -7.9 59 76 A I H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.3 7,-0.4 0.884 102.3 57.0 -53.2 -41.9 -15.4 4.2 -10.9 60 77 A D T 3< S+ 0 0 36 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.576 92.2 72.6 -69.3 -10.1 -18.5 5.9 -9.6 61 78 A Q T < S+ 0 0 167 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.2 0.581 96.4 50.5 -84.6 -11.3 -16.7 9.3 -9.6 62 79 A S S <> S- 0 0 52 -3,-1.3 4,-2.5 -4,-0.3 5,-0.2 -0.992 73.0-137.5-131.0 140.1 -16.7 9.7 -13.4 63 80 A K H > S+ 0 0 119 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.883 102.4 56.6 -56.5 -43.8 -19.6 9.3 -15.9 64 81 A L H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.930 114.9 35.1 -58.2 -51.0 -17.5 7.3 -18.4 65 82 A T H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.828 115.7 55.0 -76.3 -33.0 -16.6 4.6 -16.0 66 83 A K H X S+ 0 0 79 -4,-2.5 4,-2.3 -7,-0.4 5,-0.2 0.929 110.2 47.4 -63.6 -43.7 -19.9 4.6 -14.2 67 84 A D H X>S+ 0 0 26 -4,-3.0 5,-2.4 -5,-0.2 4,-2.0 0.834 106.9 60.1 -62.2 -34.8 -21.6 4.1 -17.5 68 85 A D H <>S+ 0 0 4 -4,-1.4 5,-2.1 -5,-0.2 -2,-0.2 0.949 114.2 33.0 -56.0 -50.7 -19.1 1.3 -18.2 69 86 A I H <5S+ 0 0 0 -4,-2.0 11,-0.6 1,-0.2 -2,-0.2 0.808 125.3 41.2 -82.0 -27.9 -20.2 -0.7 -15.2 70 87 A D H <5S+ 0 0 33 -4,-2.3 -3,-0.2 -5,-0.2 -1,-0.2 0.674 136.0 3.5 -91.8 -21.7 -23.9 0.2 -15.2 71 88 A V T ><5S+ 0 0 22 -4,-2.0 3,-1.6 -5,-0.2 4,-0.3 0.644 123.9 51.0-130.4 -59.8 -24.6 0.1 -18.9 72 89 A R G > XS+ 0 0 0 -5,-2.1 5,-2.3 -6,-0.3 3,-1.8 0.696 83.3 76.0 -63.3 -17.2 -21.0 -4.2 -19.2 74 91 A K G X 5S+ 0 0 46 -3,-1.6 83,-1.4 1,-0.3 3,-1.2 0.750 84.4 65.2 -66.7 -20.5 -24.4 -5.6 -20.2 75 92 A W G < 5S+ 0 0 0 -3,-1.9 80,-3.0 -4,-0.3 -1,-0.3 0.646 104.9 45.1 -70.0 -16.9 -22.8 -6.3 -23.6 76 93 A L G < 5S- 0 0 0 -3,-1.8 -1,-0.2 78,-0.2 -2,-0.2 0.147 127.3-104.3-107.0 12.1 -20.6 -8.7 -21.7 77 94 A G T < 5S+ 0 0 0 -3,-1.2 15,-2.4 1,-0.2 2,-0.5 0.688 78.8 134.3 75.3 21.7 -23.7 -10.1 -19.8 78 95 A L E < -B 91 0B 0 -5,-2.3 2,-0.6 13,-0.2 -1,-0.2 -0.921 34.0-170.7-114.7 126.0 -22.8 -8.3 -16.5 79 96 A F E -B 90 0B 15 11,-2.9 11,-2.5 -2,-0.5 2,-0.2 -0.923 17.2-140.1-124.6 101.7 -25.6 -6.4 -14.7 80 97 A H E -B 89 0B 10 -11,-0.6 2,-1.4 -2,-0.6 9,-0.2 -0.459 5.6-149.3 -64.7 124.4 -24.6 -4.2 -11.7 81 98 A R > + 0 0 36 7,-2.9 4,-2.3 4,-0.4 7,-0.3 -0.517 33.8 163.7 -89.7 65.6 -27.1 -4.6 -8.9 82 99 A R T 4 + 0 0 63 -2,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.888 67.0 34.2 -58.1 -47.8 -26.5 -1.0 -7.9 83 100 A K T 4 S+ 0 0 137 -3,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.920 130.5 25.6 -75.6 -45.9 -29.6 -0.4 -5.7 84 101 A N T 4 S+ 0 0 60 344,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.572 137.0 18.7-105.8 -11.7 -30.2 -3.8 -4.1 85 102 A Q S >< S- 0 0 15 -4,-2.3 3,-2.1 343,-0.2 -4,-0.4 -0.331 84.6-154.3-153.0 61.5 -26.8 -5.5 -4.1 86 103 A Y T 3 S+ 0 0 89 -4,-0.3 -4,-0.2 -3,-0.3 3,-0.1 -0.028 74.9 12.9 -50.2 133.6 -24.3 -2.7 -4.5 87 104 A G T 3 S+ 0 0 16 1,-0.3 49,-0.5 -31,-0.1 2,-0.3 0.402 105.3 105.7 82.9 -1.6 -20.9 -3.6 -6.0 88 105 A R E < - 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