==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-NOV-11 3VKQ . 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) . 21241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 66.2 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 . 19 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 21.9 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 3 0 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 0 119 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 121.5 -43.3 6.7 -46.2 2 19 A A > - 0 0 70 1,-0.1 3,-1.5 3,-0.0 4,-0.4 -0.376 360.0-117.7 -69.3 148.2 -40.8 9.0 -48.0 3 20 A A G > S+ 0 0 87 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.784 112.0 65.3 -56.2 -31.7 -37.6 7.6 -49.5 4 21 A E G > S+ 0 0 169 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.787 90.1 65.3 -63.2 -29.9 -35.5 9.6 -47.1 5 22 A R G < S+ 0 0 28 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.741 95.4 60.4 -62.0 -24.0 -36.9 7.6 -44.2 6 23 A L G < S+ 0 0 52 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.389 72.9 116.9 -91.2 2.3 -35.2 4.5 -45.7 7 24 A E S < S- 0 0 79 -3,-1.4 -3,-0.0 -4,-0.1 0, 0.0 -0.581 77.6-108.9 -69.9 124.0 -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 -0.325 25.6-156.8 -55.3 135.6 -29.5 3.7 -43.1 9 26 A R + 0 0 54 272,-2.8 11,-2.9 271,-0.1 2,-0.3 0.576 69.9 57.4 -96.3 -13.3 -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 -0.795 63.3-165.4-114.3 159.7 -25.8 3.7 -38.8 11 28 A E E -A 18 0A 63 7,-2.6 7,-2.8 -2,-0.3 2,-0.4 -0.975 27.7-105.6-140.5 154.4 -22.4 3.1 -40.5 12 29 A E E +A 17 0A 100 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.677 39.8 173.8 -78.4 129.5 -19.5 0.7 -40.1 13 30 A K E > -A 16 0A 107 3,-3.2 3,-1.7 -2,-0.4 -2,-0.0 -0.929 65.7 -25.5-142.3 114.6 -16.4 2.5 -38.6 14 31 A D T 3 S- 0 0 142 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.824 127.6 -43.4 52.6 42.1 -13.3 0.7 -37.6 15 32 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.3 185,-0.0 2,-0.3 0.332 124.3 84.4 93.1 -5.1 -15.0 -2.7 -36.9 16 33 A Y E < S-A 13 0A 19 -3,-1.7 -3,-3.2 184,-0.1 2,-0.5 -0.796 74.5-118.3-126.5 166.6 -18.0 -1.2 -35.1 17 34 A W E +A 12 0A 56 182,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.934 36.2 174.8-113.9 124.3 -21.4 0.2 -36.0 18 35 A I E -A 11 0A 26 -7,-2.8 -7,-2.6 -2,-0.5 2,-0.2 -0.927 37.6 -95.3-131.6 148.0 -22.1 3.8 -35.1 19 36 A L E -A 10 0A 2 -2,-0.3 -9,-0.3 -9,-0.2 5,-0.1 -0.455 48.7-110.9 -60.3 131.4 -24.9 6.3 -35.7 20 37 A K > - 0 0 34 -11,-2.9 3,-2.1 -2,-0.2 -1,-0.1 -0.277 28.6-108.9 -60.9 149.5 -24.1 8.6 -38.6 21 38 A E G > S+ 0 0 131 1,-0.3 3,-0.7 2,-0.1 -1,-0.1 0.826 117.8 51.0 -50.1 -39.3 -23.3 12.3 -37.7 22 39 A Q G 3 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.446 104.7 58.6 -83.2 -0.7 -26.6 13.5 -39.2 23 40 A F G < S+ 0 0 45 -3,-2.1 -1,-0.2 -14,-0.2 -2,-0.1 -0.138 79.5 87.5-120.3 37.0 -28.8 11.0 -37.3 24 41 A R X + 0 0 86 -3,-0.7 3,-1.1 -5,-0.1 2,-0.2 0.467 55.4 113.7-112.0 -6.9 -27.8 11.9 -33.7 25 42 A K T 3 S+ 0 0 203 1,-0.2 -3,-0.0 -3,-0.2 0, 0.0 -0.467 86.3 4.1 -66.8 135.1 -30.4 14.6 -33.0 26 43 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.0 0.525 88.4 154.3 76.1 9.1 -33.0 13.8 -30.4 27 44 A I < - 0 0 19 -3,-1.1 259,-0.2 1,-0.1 -1,-0.2 -0.259 45.3-103.9 -71.3 157.6 -31.6 10.4 -29.4 28 45 A N > - 0 0 10 257,-1.9 4,-1.6 258,-0.3 3,-0.3 -0.216 34.1-101.1 -75.9 166.7 -32.1 8.9 -25.9 29 46 A P H > S+ 0 0 82 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.820 121.2 57.4 -60.6 -32.0 -29.5 8.7 -23.2 30 47 A Q H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.888 104.4 52.2 -65.6 -38.1 -28.7 5.1 -23.9 31 48 A E H > S+ 0 0 1 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.885 107.9 52.4 -63.5 -37.8 -27.8 6.0 -27.5 32 49 A K H X S+ 0 0 107 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.898 105.9 53.8 -64.2 -40.3 -25.5 8.7 -26.1 33 50 A V H X S+ 0 0 8 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.931 108.6 49.8 -56.9 -45.2 -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 0.825 112.3 46.7 -67.2 -33.0 -23.1 3.9 -27.0 35 52 A I H < S+ 0 0 56 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.895 105.8 59.1 -71.6 -41.4 -21.7 6.9 -28.9 36 53 A E H < S- 0 0 97 -4,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.872 129.7 -5.7 -59.9 -41.2 -19.4 8.0 -26.0 37 54 A K S < S- 0 0 58 -4,-1.7 -1,-0.3 -5,-0.2 3,-0.0 -0.911 75.7-114.7-156.1 133.5 -17.7 4.6 -26.0 38 55 A E > - 0 0 16 -2,-0.3 3,-1.4 -3,-0.2 4,-0.4 -0.503 22.4-150.0 -63.6 113.3 -18.4 1.4 -28.0 39 56 A P T > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.840 91.1 65.0 -56.9 -35.0 -19.5 -1.2 -25.4 40 57 A M T >> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 3,-1.2 0.726 85.5 74.1 -65.2 -18.8 -18.1 -4.1 -27.4 41 58 A K H <> S+ 0 0 77 -3,-1.4 6,-1.9 1,-0.3 4,-1.6 0.789 82.3 69.2 -62.9 -26.9 -14.5 -2.7 -26.9 42 59 A L H <4 S+ 0 0 3 -3,-1.7 6,-2.5 -4,-0.4 7,-0.3 0.832 118.2 20.5 -61.3 -31.5 -14.7 -3.9 -23.3 43 60 A F H X4 S+ 0 0 62 -3,-1.2 3,-1.3 -4,-0.4 -2,-0.2 0.859 127.7 45.8 -96.1 -55.7 -14.5 -7.5 -24.7 44 61 A M H 3< S+ 0 0 72 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.1 0.697 126.8 30.2 -72.0 -22.9 -13.1 -7.3 -28.2 45 62 A E T 3< S- 0 0 114 -4,-1.6 -1,-0.3 -5,-0.3 -3,-0.1 0.143 111.9-117.0-115.6 14.6 -10.2 -4.9 -27.2 46 63 A N X> + 0 0 75 -3,-1.3 3,-1.4 1,-0.1 4,-0.5 0.787 60.1 153.7 55.0 33.3 -10.0 -6.3 -23.7 47 64 A G H 3> + 0 0 32 -6,-1.9 4,-1.9 1,-0.3 3,-0.5 0.791 63.0 72.0 -55.9 -29.0 -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,-0.3 0.809 82.9 69.4 -60.0 -30.3 -12.4 -5.0 -19.2 49 66 A E H <4 S+ 0 0 82 -3,-1.4 4,-0.3 -7,-0.3 -1,-0.2 0.928 109.5 31.0 -58.2 -49.3 -8.8 -6.0 -18.0 50 67 A E H >X S+ 0 0 112 -4,-0.5 3,-1.1 -3,-0.5 4,-0.5 0.869 116.7 57.6 -78.0 -36.3 -7.9 -2.4 -16.9 51 68 A L H >< S+ 0 0 8 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.909 100.7 58.2 -58.0 -42.1 -11.5 -1.4 -15.9 52 69 A A T 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.655 99.5 59.4 -65.8 -17.8 -11.7 -4.4 -13.5 53 70 A K T <4 S+ 0 0 133 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.620 83.3 95.5 -84.3 -17.4 -8.6 -3.1 -11.6 54 71 A I S << S- 0 0 50 -3,-1.5 5,-0.1 -4,-0.5 82,-0.0 -0.640 86.1-112.9 -79.9 125.2 -10.2 0.3 -10.7 55 72 A P >> - 0 0 80 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.317 25.2-123.7 -53.5 136.9 -11.9 0.3 -7.2 56 73 A I H 3> S+ 0 0 30 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.805 110.1 58.9 -59.0 -31.2 -15.6 0.7 -7.7 57 74 A E H 34 S+ 0 0 121 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.898 109.5 44.8 -64.6 -37.8 -15.8 3.8 -5.5 58 75 A E H X4 S+ 0 0 110 -3,-0.8 3,-1.4 1,-0.2 4,-0.3 0.894 109.1 56.4 -68.7 -42.9 -13.4 5.5 -8.0 59 76 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 7,-0.4 0.903 103.1 55.5 -52.5 -43.3 -15.3 4.1 -11.0 60 77 A D T 3< S+ 0 0 36 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.595 92.5 73.0 -69.3 -12.1 -18.5 5.8 -9.6 61 78 A Q T < S+ 0 0 166 -3,-1.4 2,-0.4 -4,-0.3 -1,-0.3 0.529 96.9 50.2 -83.9 -6.4 -16.7 9.2 -9.6 62 79 A S S <> S- 0 0 55 -3,-1.4 4,-2.4 -4,-0.3 5,-0.2 -0.999 73.6-137.4-135.9 141.0 -16.7 9.6 -13.4 63 80 A K H > S+ 0 0 121 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.875 101.3 56.1 -58.9 -43.9 -19.6 9.3 -15.9 64 81 A L H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.927 115.3 35.7 -58.1 -50.4 -17.6 7.3 -18.5 65 82 A T H > S+ 0 0 25 2,-0.2 4,-2.1 -6,-0.2 -1,-0.2 0.831 115.6 54.9 -77.0 -32.5 -16.6 4.5 -16.1 66 83 A K H X S+ 0 0 78 -4,-2.4 4,-2.4 -7,-0.4 5,-0.2 0.936 110.5 46.9 -63.7 -44.3 -19.9 4.6 -14.2 67 84 A D H X>S+ 0 0 27 -4,-3.2 5,-2.5 -5,-0.2 4,-1.8 0.836 107.3 60.1 -62.0 -33.8 -21.6 4.1 -17.6 68 85 A D H <>S+ 0 0 4 -4,-1.4 5,-2.0 -5,-0.2 -2,-0.2 0.951 114.2 33.2 -56.6 -50.0 -19.0 1.3 -18.2 69 86 A I H <5S+ 0 0 0 -4,-2.1 11,-0.6 1,-0.2 -2,-0.2 0.802 125.2 40.7 -82.8 -27.5 -20.1 -0.7 -15.2 70 87 A D H <5S+ 0 0 34 -4,-2.4 -1,-0.2 -5,-0.2 -3,-0.2 0.657 135.8 3.9 -92.6 -20.6 -23.9 0.1 -15.2 71 88 A V T ><5S+ 0 0 24 -4,-1.8 3,-1.5 -5,-0.2 4,-0.3 0.633 123.7 51.2-131.2 -58.8 -24.6 0.0 -18.9 72 89 A R G > XS+ 0 0 0 -5,-2.0 5,-2.3 -6,-0.3 3,-1.7 0.686 83.4 76.0 -64.0 -17.0 -21.0 -4.2 -19.2 74 91 A K G X 5S+ 0 0 44 -3,-1.5 83,-1.4 1,-0.3 3,-1.0 0.725 83.9 65.2 -67.8 -19.6 -24.4 -5.6 -20.2 75 92 A W G < 5S+ 0 0 0 -3,-1.9 80,-3.1 -4,-0.3 -1,-0.3 0.657 105.2 44.7 -70.3 -17.7 -22.8 -6.3 -23.6 76 93 A L G < 5S- 0 0 0 -3,-1.7 -1,-0.2 78,-0.2 -2,-0.2 0.141 127.7-104.2-106.4 12.0 -20.6 -8.8 -21.8 77 94 A G T < 5S+ 0 0 0 -3,-1.0 15,-2.4 1,-0.2 2,-0.5 0.682 78.7 134.0 76.1 20.0 -23.6 -10.1 -19.9 78 95 A L E < -B 91 0B 0 -5,-2.3 2,-0.6 13,-0.2 -1,-0.2 -0.918 34.0-170.2-113.4 127.1 -22.8 -8.3 -16.6 79 96 A F E -B 90 0B 16 11,-3.0 11,-2.5 -2,-0.5 2,-0.3 -0.929 16.1-141.5-124.8 102.6 -25.5 -6.5 -14.7 80 97 A H E -B 89 0B 8 -11,-0.6 2,-1.4 -2,-0.6 9,-0.2 -0.502 5.4-149.9 -66.8 125.0 -24.6 -4.2 -11.8 81 98 A R > + 0 0 34 7,-2.7 4,-2.2 4,-0.4 7,-0.3 -0.556 32.8 164.5 -90.6 66.7 -27.2 -4.5 -9.0 82 99 A R T 4 + 0 0 62 -2,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.888 67.3 33.5 -58.5 -47.8 -26.5 -0.9 -8.0 83 100 A K T 4 S+ 0 0 152 -3,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.914 130.3 27.1 -76.1 -44.9 -29.6 -0.4 -5.8 84 101 A N T 4 S+ 0 0 48 344,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.593 136.7 17.5-105.1 -14.0 -30.3 -3.8 -4.3 85 102 A Q S >< S- 0 0 17 -4,-2.2 3,-2.1 343,-0.2 -4,-0.4 -0.327 84.2-154.1-152.3 60.5 -26.9 -5.5 -4.1 86 103 A Y T 3 S+ 0 0 91 -4,-0.3 -4,-0.2 -3,-0.3 3,-0.1 -0.018 74.9 12.7 -47.5 133.2 -24.3 -2.7 -4.6 87 104 A G T 3 S+ 0 0 15 1,-0.3 49,-0.5 -31,-0.1 2,-0.3 0.430 105.0 105.5 82.3 -0.7 -21.0 -3.7 -6.0 88 105 A R < - 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