==== 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 3B0L . 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) . 21228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 65.8 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 . 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 . 80 14.9 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 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 . 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 0 121 0, 0.0 5,-0.0 0, 0.0 299,-0.0 0.000 360.0 360.0 360.0 122.8 -43.2 7.2 -46.0 2 19 A A > - 0 0 63 1,-0.1 3,-0.7 3,-0.0 4,-0.4 -0.181 360.0-119.7 -60.3 155.1 -40.7 9.5 -47.8 3 20 A A G > S+ 0 0 88 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.753 112.5 67.1 -64.9 -26.9 -37.5 8.0 -49.4 4 21 A E G > S+ 0 0 167 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.783 90.0 62.7 -65.4 -29.8 -35.5 10.2 -47.0 5 22 A R G < S+ 0 0 27 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.740 95.3 61.9 -66.4 -23.9 -36.8 8.1 -44.1 6 23 A L G < S+ 0 0 51 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.338 72.4 119.1 -89.5 5.2 -35.0 5.0 -45.6 7 24 A E S < S- 0 0 79 -3,-1.3 -3,-0.0 1,-0.1 2,-0.0 -0.606 76.3-109.8 -72.4 124.4 -31.5 6.5 -45.3 8 25 A P - 0 0 47 0, 0.0 274,-0.2 0, 0.0 273,-0.1 -0.336 26.2-157.9 -56.3 132.4 -29.4 4.3 -43.1 9 26 A R + 0 0 53 272,-2.8 11,-2.9 271,-0.1 2,-0.3 0.570 68.4 59.5 -94.4 -11.0 -28.7 6.2 -39.8 10 27 A V E -A 19 0A 3 9,-0.3 2,-0.3 271,-0.1 9,-0.2 -0.830 62.3-165.1-117.9 155.5 -25.6 4.4 -38.7 11 28 A E E -A 18 0A 65 7,-2.7 7,-2.9 -2,-0.3 2,-0.4 -0.982 27.8-108.9-138.9 147.8 -22.2 3.9 -40.4 12 29 A E E +A 17 0A 104 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.650 41.0 172.3 -74.3 127.5 -19.2 1.6 -39.9 13 30 A K E > -A 16 0A 102 3,-3.4 3,-1.3 -2,-0.4 -2,-0.0 -0.920 67.5 -16.8-142.9 116.0 -16.3 3.5 -38.5 14 31 A D T 3 S- 0 0 135 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.828 128.4 -51.4 58.2 35.8 -13.1 1.8 -37.3 15 32 A G T 3 S+ 0 0 42 1,-0.3 2,-0.3 185,-0.0 -1,-0.2 0.400 123.0 92.3 87.3 -2.1 -14.8 -1.6 -37.1 16 33 A Y E < S-A 13 0A 18 -3,-1.3 -3,-3.4 184,-0.1 2,-0.5 -0.800 75.0-119.1-118.3 162.7 -17.8 -0.4 -35.0 17 34 A W E +A 12 0A 58 182,-0.5 2,-0.3 -2,-0.3 -5,-0.2 -0.911 37.6 174.7-108.4 124.4 -21.2 1.0 -36.0 18 35 A I E -A 11 0A 19 -7,-2.9 -7,-2.7 -2,-0.5 2,-0.2 -0.919 36.5 -93.5-132.3 152.9 -22.0 4.5 -35.0 19 36 A L E -A 10 0A 2 -2,-0.3 -9,-0.3 -9,-0.2 2,-0.1 -0.430 46.6-113.7 -62.7 130.2 -24.7 7.0 -35.4 20 37 A K > - 0 0 38 -11,-2.9 3,-2.0 -2,-0.2 4,-0.3 -0.404 27.2-111.7 -61.7 141.8 -24.1 9.4 -38.3 21 38 A E G > S+ 0 0 119 1,-0.3 3,-1.3 2,-0.2 4,-0.1 0.836 115.2 54.4 -40.8 -47.8 -23.5 13.0 -37.3 22 39 A Q G 3 S+ 0 0 105 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.664 106.0 51.9 -70.2 -16.9 -26.8 14.2 -38.9 23 40 A F G < S+ 0 0 46 -3,-2.0 -1,-0.2 -14,-0.2 -2,-0.2 0.303 83.0 91.4-102.0 11.2 -29.0 11.7 -36.9 24 41 A R X + 0 0 84 -3,-1.3 3,-0.9 -4,-0.3 2,-0.2 0.522 58.2 108.5 -85.4 -6.7 -27.6 12.5 -33.5 25 42 A K T 3 S+ 0 0 197 -3,-0.3 -3,-0.0 1,-0.2 0, 0.0 -0.528 86.0 4.8 -73.8 135.7 -30.3 15.2 -32.6 26 43 A G T 3 S+ 0 0 76 -2,-0.2 -1,-0.2 1,-0.2 261,-0.1 0.530 88.6 152.4 75.7 10.3 -32.9 14.4 -30.0 27 44 A I < - 0 0 18 -3,-0.9 259,-0.3 1,-0.1 -1,-0.2 -0.225 47.4-102.0 -70.8 159.6 -31.5 11.0 -29.0 28 45 A N > - 0 0 10 257,-1.9 4,-1.5 258,-0.3 3,-0.3 -0.295 36.8 -99.7 -76.3 164.4 -32.0 9.4 -25.6 29 46 A P H > S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.857 121.3 55.3 -53.8 -38.7 -29.2 9.4 -22.9 30 47 A Q H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.893 103.8 54.3 -63.9 -39.7 -28.2 5.8 -23.6 31 48 A E H > S+ 0 0 2 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.882 107.5 51.9 -60.1 -37.2 -27.6 6.7 -27.3 32 49 A K H X S+ 0 0 110 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.898 106.2 53.9 -64.5 -40.9 -25.3 9.5 -26.0 33 50 A V H X S+ 0 0 7 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.913 108.0 49.9 -56.9 -43.0 -23.4 6.9 -23.8 34 51 A K H < S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.824 111.6 47.8 -71.6 -30.5 -22.8 4.8 -26.9 35 52 A I H < S+ 0 0 55 -4,-1.5 3,-0.2 -5,-0.2 -1,-0.2 0.891 107.0 56.5 -71.9 -40.2 -21.5 7.7 -29.0 36 53 A E H < S- 0 0 103 -4,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.877 133.6 -7.0 -62.8 -39.2 -19.2 8.8 -26.1 37 54 A K S < S- 0 0 49 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.873 75.2-118.3-157.2 128.4 -17.6 5.4 -26.1 38 55 A E > - 0 0 8 -2,-0.3 3,-1.5 -3,-0.2 4,-0.3 -0.487 23.3-142.5 -62.5 121.5 -18.6 2.2 -28.1 39 56 A P T > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.821 94.6 68.2 -58.3 -32.3 -19.4 -0.4 -25.4 40 57 A M T >> S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 3,-1.2 0.745 83.2 75.7 -63.3 -19.2 -17.9 -3.3 -27.4 41 58 A K H <> S+ 0 0 75 -3,-1.5 6,-1.7 1,-0.3 4,-1.5 0.803 81.6 68.5 -60.2 -29.6 -14.4 -1.7 -26.8 42 59 A L H <4 S+ 0 0 2 -3,-1.7 6,-2.2 -4,-0.3 -1,-0.3 0.833 118.6 19.9 -60.6 -32.4 -14.5 -3.0 -23.2 43 60 A F H X4 S+ 0 0 59 -3,-1.2 3,-1.4 -4,-0.4 -2,-0.2 0.860 126.7 47.2 -96.4 -56.8 -14.2 -6.5 -24.6 44 61 A M H 3< S+ 0 0 74 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.1 0.725 126.2 30.4 -68.2 -24.0 -12.8 -6.3 -28.1 45 62 A E T 3< S- 0 0 118 -4,-1.5 -1,-0.3 -5,-0.4 -3,-0.1 0.135 111.6-117.1-114.3 15.5 -10.0 -3.9 -27.1 46 63 A N X> + 0 0 73 -3,-1.4 3,-1.3 1,-0.1 4,-0.6 0.778 59.8 153.1 55.1 33.0 -9.7 -5.3 -23.6 47 64 A G H 3> + 0 0 29 -6,-1.7 4,-2.1 1,-0.2 3,-0.4 0.748 63.6 72.6 -57.6 -24.6 -10.8 -2.0 -21.9 48 65 A I H 3> S+ 0 0 2 -6,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.836 84.0 66.4 -62.1 -34.0 -12.1 -4.2 -19.0 49 66 A E H <4 S+ 0 0 87 -3,-1.3 4,-0.3 -7,-0.3 -1,-0.2 0.914 110.5 33.2 -56.0 -47.1 -8.5 -5.0 -17.9 50 67 A E H >< S+ 0 0 119 -4,-0.6 3,-1.1 -3,-0.4 4,-0.4 0.878 116.7 55.0 -78.8 -37.8 -7.8 -1.4 -16.9 51 68 A L H >< S+ 0 0 8 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.912 100.8 60.7 -59.6 -41.5 -11.4 -0.5 -15.7 52 69 A A T 3< S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.663 98.1 59.7 -62.3 -18.1 -11.3 -3.5 -13.3 53 70 A K T < S+ 0 0 133 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.600 84.7 91.7 -86.0 -15.4 -8.4 -2.0 -11.4 54 71 A I S < S- 0 0 51 -3,-1.8 5,-0.1 -4,-0.4 82,-0.0 -0.715 84.4-115.2 -87.4 126.5 -10.2 1.2 -10.5 55 72 A P >> - 0 0 75 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.273 23.4-121.3 -54.5 143.8 -12.0 1.1 -7.1 56 73 A I H 3> S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.882 111.7 59.3 -59.3 -39.5 -15.7 1.5 -7.5 57 74 A E H 34 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.872 111.3 42.7 -55.2 -39.5 -15.8 4.7 -5.3 58 75 A E H X4 S+ 0 0 112 -3,-0.6 3,-1.7 2,-0.2 4,-0.3 0.866 108.2 58.2 -74.5 -40.5 -13.4 6.2 -7.8 59 76 A I H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 7,-0.4 0.915 102.5 56.1 -53.7 -42.9 -15.3 4.8 -10.8 60 77 A D T 3< S+ 0 0 36 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.568 92.2 73.3 -67.1 -9.4 -18.4 6.7 -9.6 61 78 A Q T < S+ 0 0 160 -3,-1.7 2,-0.4 -5,-0.2 -1,-0.2 0.534 96.1 48.1 -90.1 -7.8 -16.6 10.0 -9.6 62 79 A S S <> S- 0 0 55 -3,-1.3 4,-2.3 -4,-0.3 5,-0.2 -0.996 74.6-133.5-134.1 143.8 -16.6 10.5 -13.4 63 80 A K H > S+ 0 0 117 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.886 102.2 56.7 -57.2 -45.0 -19.3 10.1 -16.0 64 81 A L H > S+ 0 0 84 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.929 114.8 35.6 -57.3 -51.2 -17.2 8.0 -18.4 65 82 A T H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.831 114.6 55.2 -77.3 -33.0 -16.4 5.3 -16.0 66 83 A K H X S+ 0 0 80 -4,-2.3 4,-2.4 -7,-0.4 5,-0.2 0.938 109.9 48.5 -62.8 -44.3 -19.7 5.3 -14.1 67 84 A D H X>S+ 0 0 24 -4,-2.9 5,-2.3 -5,-0.2 4,-2.0 0.806 105.8 60.1 -61.2 -32.9 -21.4 4.8 -17.6 68 85 A D H <>S+ 0 0 4 -4,-1.2 5,-2.5 -5,-0.2 -2,-0.2 0.958 113.9 33.6 -58.3 -51.3 -18.9 2.0 -18.2 69 86 A I H <5S+ 0 0 1 -4,-2.0 11,-0.8 1,-0.2 -2,-0.2 0.815 125.4 41.4 -78.5 -28.9 -20.1 -0.0 -15.1 70 87 A D H <5S+ 0 0 43 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.2 0.709 136.1 2.5 -92.2 -22.5 -23.8 1.0 -15.3 71 88 A V T ><5S+ 0 0 19 -4,-2.0 3,-1.6 -5,-0.2 4,-0.3 0.642 124.0 50.0-128.4 -62.8 -24.4 0.8 -19.1 72 89 A R G > XS+ 0 0 0 -5,-2.5 5,-2.4 -6,-0.3 3,-1.8 0.719 83.3 76.2 -63.1 -18.0 -20.7 -3.5 -19.2 74 91 A K G X 5S+ 0 0 55 -3,-1.6 83,-1.4 1,-0.3 3,-1.1 0.796 85.4 64.1 -60.2 -24.0 -24.1 -4.9 -20.2 75 92 A W G < 5S+ 0 0 0 -3,-2.1 80,-2.9 -4,-0.3 -1,-0.3 0.652 104.7 44.9 -71.9 -16.2 -22.4 -5.6 -23.6 76 93 A L G < 5S- 0 0 0 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.216 127.4-103.6-106.0 9.1 -20.2 -8.0 -21.6 77 94 A G T < 5S+ 0 0 0 -3,-1.1 15,-2.3 1,-0.3 2,-0.5 0.699 78.9 134.6 79.7 21.3 -23.2 -9.4 -19.8 78 95 A L E < -B 91 0B 0 -5,-2.4 2,-0.5 13,-0.2 -1,-0.3 -0.913 34.2-170.4-113.0 131.0 -22.5 -7.6 -16.6 79 96 A F E -B 90 0B 15 11,-2.7 11,-2.2 -2,-0.5 2,-0.2 -0.928 18.3-137.7-126.4 103.0 -25.2 -5.7 -14.6 80 97 A H E -B 89 0B 11 -11,-0.8 2,-1.6 -2,-0.5 3,-0.2 -0.408 6.4-148.8 -60.8 122.7 -24.3 -3.4 -11.7 81 98 A R > + 0 0 43 7,-2.9 4,-2.5 4,-0.4 7,-0.3 -0.473 35.3 162.2 -87.1 64.4 -26.7 -4.0 -8.8 82 99 A R T 4 + 0 0 63 -2,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.904 66.3 34.6 -57.9 -49.5 -26.2 -0.3 -7.8 83 100 A K T 4 S+ 0 0 130 -3,-0.2 3,-0.3 1,-0.1 -1,-0.2 0.920 131.3 24.1 -72.0 -45.1 -29.3 0.1 -5.6 84 101 A N T 4 S+ 0 0 62 344,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.556 136.5 20.0-107.9 -11.7 -29.7 -3.2 -3.9 85 102 A Q S >< S- 0 0 14 -4,-2.5 3,-2.1 343,-0.2 -4,-0.4 -0.345 83.6-155.0-152.8 61.0 -26.2 -4.8 -4.0 86 103 A Y T 3 S+ 0 0 91 -4,-0.3 -4,-0.2 1,-0.3 3,-0.1 -0.069 74.8 13.1 -51.8 131.5 -23.8 -1.9 -4.5 87 104 A G T 3 S+ 0 0 15 1,-0.3 49,-0.5 -31,-0.1 2,-0.3 0.367 106.3 103.0 86.0 -3.9 -20.4 -2.8 -6.1 88 105 A R E < - 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