==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-DEC-11 3VLX . 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) . 21251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 66.0 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 . 87 16.2 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 . 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 1 2 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 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 . 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 0 124 0, 0.0 5,-0.0 0, 0.0 299,-0.0 0.000 360.0 360.0 360.0 122.0 -43.3 6.9 -46.3 2 19 A A > - 0 0 65 1,-0.1 3,-0.9 3,-0.0 4,-0.4 -0.244 360.0-121.0 -64.0 151.4 -40.7 9.2 -47.9 3 20 A A G > S+ 0 0 89 1,-0.2 3,-1.5 2,-0.2 -1,-0.1 0.823 111.3 65.2 -61.3 -32.8 -37.6 7.7 -49.6 4 21 A E G > S+ 0 0 166 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.794 89.7 65.6 -61.2 -30.8 -35.4 9.8 -47.2 5 22 A R G < S+ 0 0 28 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.737 95.0 60.5 -62.3 -23.2 -36.8 7.8 -44.2 6 23 A L G < S+ 0 0 50 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.372 72.6 119.0 -91.3 3.6 -35.0 4.7 -45.7 7 24 A E S < S- 0 0 79 -3,-1.5 -3,-0.0 -4,-0.1 2,-0.0 -0.563 76.5-109.1 -69.0 124.7 -31.5 6.2 -45.5 8 25 A P - 0 0 45 0, 0.0 274,-0.2 0, 0.0 273,-0.1 -0.339 26.1-157.3 -55.6 134.5 -29.4 3.9 -43.2 9 26 A R + 0 0 52 272,-2.8 11,-2.9 271,-0.1 2,-0.3 0.583 69.0 56.9 -96.1 -12.2 -28.7 5.9 -40.0 10 27 A V E -A 19 0A 4 9,-0.3 2,-0.3 271,-0.1 9,-0.2 -0.820 62.8-165.2-117.8 157.8 -25.6 4.0 -38.9 11 28 A E E -A 18 0A 68 7,-2.5 7,-2.7 -2,-0.3 2,-0.4 -0.981 27.6-106.3-140.3 152.4 -22.3 3.4 -40.6 12 29 A E E +A 17 0A 101 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.645 38.6 175.1 -77.0 130.2 -19.3 1.1 -40.1 13 30 A K E > -A 16 0A 105 3,-3.3 3,-1.6 -2,-0.4 -2,-0.0 -0.925 66.8 -25.8-141.6 112.8 -16.2 2.9 -38.7 14 31 A D T 3 S- 0 0 142 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.822 127.8 -43.7 53.6 41.0 -13.0 1.0 -37.7 15 32 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.3 184,-0.0 2,-0.3 0.327 124.3 85.7 93.4 -6.8 -14.8 -2.3 -37.1 16 33 A Y E < S-A 13 0A 20 -3,-1.6 -3,-3.3 184,-0.1 2,-0.5 -0.792 74.1-118.8-123.0 165.9 -17.8 -0.8 -35.1 17 34 A W E +A 12 0A 55 182,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.929 34.4 178.4-112.9 123.6 -21.2 0.6 -36.1 18 35 A I E -A 11 0A 25 -7,-2.7 -7,-2.5 -2,-0.5 2,-0.2 -0.921 35.2 -99.4-127.3 146.5 -21.9 4.2 -35.1 19 36 A L E -A 10 0A 2 -2,-0.3 -9,-0.3 -9,-0.2 5,-0.1 -0.463 46.2-112.6 -60.0 127.2 -24.8 6.6 -35.6 20 37 A K > - 0 0 34 -11,-2.9 3,-2.2 -2,-0.2 4,-0.3 -0.348 26.5-113.8 -59.3 142.7 -24.2 9.0 -38.4 21 38 A E G > S+ 0 0 120 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.842 113.9 57.6 -46.7 -43.9 -23.7 12.6 -37.3 22 39 A Q G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.570 106.2 50.0 -71.1 -8.1 -26.9 13.9 -39.0 23 40 A F G < S+ 0 0 46 -3,-2.2 -1,-0.3 -14,-0.2 -2,-0.2 0.318 84.6 90.0-110.4 8.5 -29.0 11.4 -37.1 24 41 A R X + 0 0 81 -3,-1.4 3,-1.1 -4,-0.3 2,-0.2 0.562 57.9 108.7 -84.1 -10.9 -27.7 12.2 -33.6 25 42 A K T 3 S+ 0 0 199 1,-0.2 -3,-0.0 -4,-0.2 0, 0.0 -0.478 87.2 6.1 -68.6 134.9 -30.2 15.0 -32.8 26 43 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.2 -2,-0.2 261,-0.1 0.521 88.4 153.4 77.8 7.8 -32.9 14.1 -30.2 27 44 A I < - 0 0 17 -3,-1.1 259,-0.2 1,-0.1 -1,-0.2 -0.267 46.2-105.1 -70.2 155.7 -31.4 10.7 -29.2 28 45 A N > - 0 0 10 257,-1.8 4,-1.4 258,-0.3 3,-0.3 -0.230 34.9 -99.9 -74.0 167.1 -32.0 9.2 -25.8 29 46 A P H > S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.809 120.9 58.0 -60.2 -30.9 -29.3 9.0 -23.0 30 47 A Q H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.892 104.1 52.1 -67.1 -38.9 -28.4 5.4 -23.8 31 48 A E H > S+ 0 0 1 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.874 107.3 53.3 -62.0 -37.4 -27.6 6.3 -27.4 32 49 A K H X S+ 0 0 106 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.886 105.7 53.4 -65.6 -38.5 -25.3 9.1 -26.1 33 50 A V H X S+ 0 0 8 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.927 108.3 50.1 -58.7 -46.0 -23.5 6.5 -23.9 34 51 A K H < S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.848 112.7 46.5 -64.4 -35.7 -22.9 4.3 -27.0 35 52 A I H < S+ 0 0 56 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.899 106.1 58.5 -70.3 -42.4 -21.5 7.3 -29.0 36 53 A E H < S- 0 0 96 -4,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.866 130.6 -6.0 -60.1 -39.8 -19.2 8.4 -26.1 37 54 A K S < S- 0 0 57 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.0 -0.875 76.6-114.4-157.2 130.0 -17.5 5.0 -26.1 38 55 A E > - 0 0 14 -2,-0.3 3,-1.4 -3,-0.2 4,-0.4 -0.444 23.0-147.8 -59.8 115.6 -18.2 1.9 -28.0 39 56 A P T > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.852 91.7 65.6 -57.4 -35.6 -19.3 -0.8 -25.4 40 57 A M T >> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 3,-1.1 0.701 84.6 74.6 -63.4 -19.2 -17.8 -3.7 -27.4 41 58 A K H <> S+ 0 0 75 -3,-1.4 6,-1.8 1,-0.2 4,-1.7 0.804 81.8 69.4 -61.8 -29.1 -14.3 -2.3 -26.9 42 59 A L H <4 S+ 0 0 1 -3,-1.8 6,-2.4 -4,-0.4 7,-0.3 0.843 118.3 20.6 -57.3 -33.3 -14.4 -3.5 -23.3 43 60 A F H X4 S+ 0 0 61 -3,-1.1 3,-1.2 -4,-0.4 -2,-0.2 0.871 128.0 45.0 -96.3 -55.9 -14.3 -7.0 -24.7 44 61 A M H 3< S+ 0 0 72 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.1 0.713 126.2 31.7 -71.4 -24.4 -12.8 -6.8 -28.2 45 62 A E T 3< S- 0 0 114 -4,-1.7 -1,-0.3 -5,-0.3 -3,-0.1 0.135 111.8-116.9-112.7 14.6 -10.0 -4.4 -27.2 46 63 A N X> + 0 0 76 -3,-1.2 3,-1.3 1,-0.1 4,-0.5 0.787 60.8 152.6 54.6 34.3 -9.7 -5.8 -23.7 47 64 A G H 3> + 0 0 30 -6,-1.8 4,-1.9 1,-0.2 3,-0.3 0.771 62.5 72.4 -59.6 -25.8 -10.7 -2.5 -22.1 48 65 A I H 3> S+ 0 0 2 -6,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.808 84.0 67.4 -60.7 -30.7 -12.1 -4.6 -19.2 49 66 A E H <4 S+ 0 0 85 -3,-1.3 4,-0.4 -7,-0.3 -1,-0.2 0.937 109.6 32.8 -59.1 -49.7 -8.5 -5.4 -18.0 50 67 A E H >< S+ 0 0 115 -4,-0.5 3,-0.9 -3,-0.3 4,-0.5 0.879 116.9 55.7 -76.1 -37.9 -7.7 -1.9 -17.0 51 68 A L H >< S+ 0 0 8 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.907 101.0 59.0 -57.9 -42.9 -11.2 -1.0 -15.9 52 69 A A T 3< S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.686 99.1 59.3 -63.2 -20.2 -11.4 -3.9 -13.5 53 70 A K T < S+ 0 0 135 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.630 84.5 93.7 -82.5 -18.4 -8.3 -2.6 -11.6 54 71 A I S < S- 0 0 48 -3,-1.6 5,-0.1 -4,-0.5 82,-0.0 -0.657 85.0-114.7 -82.0 126.1 -10.0 0.8 -10.7 55 72 A P >> - 0 0 78 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.329 23.6-122.7 -57.4 140.9 -11.7 0.8 -7.2 56 73 A I H 3> S+ 0 0 30 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.816 110.8 59.8 -59.3 -33.1 -15.5 1.2 -7.6 57 74 A E H 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.851 110.1 43.5 -63.4 -34.1 -15.5 4.4 -5.5 58 75 A E H X4 S+ 0 0 113 -3,-1.0 3,-1.6 2,-0.2 4,-0.2 0.868 108.9 57.1 -76.0 -40.8 -13.1 5.9 -8.0 59 76 A I H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.3 7,-0.4 0.893 101.7 57.8 -54.0 -41.8 -15.1 4.6 -11.0 60 77 A D T 3< S+ 0 0 39 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.529 91.8 72.7 -68.9 -7.2 -18.2 6.4 -9.7 61 78 A Q T < S+ 0 0 163 -3,-1.6 2,-0.4 -5,-0.1 -1,-0.2 0.516 95.9 49.4 -90.7 -6.5 -16.4 9.8 -9.8 62 79 A S S <> S- 0 0 55 -3,-1.4 4,-2.4 -4,-0.2 5,-0.2 -0.998 73.4-135.7-134.3 141.3 -16.4 10.1 -13.6 63 80 A K H > S+ 0 0 119 -2,-0.4 4,-3.0 1,-0.2 5,-0.3 0.897 102.7 56.2 -56.2 -46.2 -19.3 9.8 -16.1 64 81 A L H > S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.921 114.6 35.7 -56.8 -50.9 -17.3 7.7 -18.6 65 82 A T H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.833 115.6 54.4 -76.2 -32.9 -16.3 5.0 -16.1 66 83 A K H X S+ 0 0 80 -4,-2.4 4,-2.4 -7,-0.4 5,-0.2 0.926 110.5 47.6 -64.6 -43.1 -19.6 5.0 -14.2 67 84 A D H X>S+ 0 0 27 -4,-3.0 5,-2.4 -5,-0.2 4,-1.9 0.830 106.8 60.2 -63.0 -33.9 -21.3 4.5 -17.6 68 85 A D H <>S+ 0 0 5 -4,-1.3 5,-2.1 -5,-0.3 -2,-0.2 0.955 114.3 32.7 -56.3 -51.6 -18.8 1.7 -18.3 69 86 A I H <5S+ 0 0 0 -4,-2.0 11,-0.6 1,-0.2 -2,-0.2 0.815 125.6 41.3 -80.8 -28.7 -19.9 -0.3 -15.2 70 87 A D H <5S+ 0 0 35 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.2 0.681 135.7 3.7 -90.6 -21.6 -23.6 0.6 -15.2 71 88 A V T ><5S+ 0 0 22 -4,-1.9 3,-1.6 -5,-0.2 4,-0.3 0.645 123.8 50.3-129.4 -60.4 -24.3 0.5 -19.0 72 89 A R G > XS+ 0 0 0 -5,-2.1 5,-2.4 -6,-0.3 3,-1.8 0.698 83.4 75.5 -63.9 -16.8 -20.7 -3.8 -19.2 74 91 A K G X 5S+ 0 0 46 -3,-1.6 83,-1.4 1,-0.3 3,-1.2 0.749 84.2 65.7 -67.3 -19.8 -24.1 -5.2 -20.2 75 92 A W G < 5S+ 0 0 0 -3,-2.0 80,-3.1 -4,-0.3 -1,-0.3 0.671 104.7 44.7 -70.1 -17.2 -22.5 -5.9 -23.6 76 93 A L G < 5S- 0 0 0 -3,-1.8 -1,-0.3 78,-0.2 -2,-0.2 0.145 127.4-103.9-107.4 13.3 -20.3 -8.3 -21.7 77 94 A G T < 5S+ 0 0 0 -3,-1.2 15,-2.4 1,-0.2 2,-0.5 0.690 79.1 134.2 74.6 22.7 -23.3 -9.7 -19.8 78 95 A L E < -B 91 0B 0 -5,-2.4 2,-0.6 13,-0.2 -1,-0.2 -0.924 34.0-170.5-115.0 126.4 -22.5 -7.9 -16.6 79 96 A F E -B 90 0B 14 11,-2.9 11,-2.4 -2,-0.5 2,-0.3 -0.926 17.4-139.5-124.5 102.8 -25.2 -6.0 -14.7 80 97 A H E -B 89 0B 10 -11,-0.6 2,-1.5 -2,-0.6 9,-0.2 -0.460 5.6-149.6 -65.1 124.0 -24.3 -3.7 -11.8 81 98 A R > + 0 0 36 7,-2.8 4,-2.3 4,-0.4 7,-0.3 -0.524 33.8 163.5 -89.0 65.5 -26.8 -4.2 -8.9 82 99 A R T 4 + 0 0 63 -2,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.896 66.9 34.6 -57.5 -48.8 -26.2 -0.6 -7.9 83 100 A K T 4 S+ 0 0 137 -3,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.927 130.4 25.7 -73.8 -46.8 -29.3 -0.0 -5.7 84 101 A N T 4 S+ 0 0 60 344,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.585 137.0 18.2-104.7 -12.2 -29.8 -3.4 -4.1 85 102 A Q S >< S- 0 0 15 -4,-2.3 3,-2.0 343,-0.2 -4,-0.4 -0.347 84.1-154.4-153.4 62.1 -26.4 -5.1 -4.1 86 103 A Y T 3 S+ 0 0 90 -4,-0.3 -4,-0.2 -3,-0.3 3,-0.1 -0.048 75.0 13.8 -51.3 133.8 -23.9 -2.2 -4.6 87 104 A G T 3 S+ 0 0 15 1,-0.3 49,-0.5 -31,-0.1 2,-0.3 0.401 105.5 105.1 83.8 -2.4 -20.5 -3.2 -6.1 88 105 A R E < - 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