==== 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 3VKT . 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) . 21209.0 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 . 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 . 121 22.5 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 3 2 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 0 126 0, 0.0 5,-0.1 0, 0.0 299,-0.0 0.000 360.0 360.0 360.0 129.0 -43.4 6.8 -46.4 2 19 A A > - 0 0 66 1,-0.1 3,-1.0 3,-0.0 4,-0.4 -0.182 360.0-122.5 -62.1 149.9 -40.8 9.1 -47.9 3 20 A A G > S+ 0 0 86 1,-0.2 3,-1.4 2,-0.2 4,-0.1 0.805 109.2 66.1 -62.0 -31.9 -37.6 7.7 -49.5 4 21 A E G > S+ 0 0 166 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.805 89.9 64.8 -60.6 -32.1 -35.5 9.8 -47.1 5 22 A R G < S+ 0 0 25 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.737 95.3 60.7 -62.0 -23.5 -36.8 7.7 -44.1 6 23 A L G < S+ 0 0 51 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.386 72.4 118.5 -91.3 3.2 -35.0 4.7 -45.6 7 24 A E S < S- 0 0 81 -3,-1.5 -3,-0.0 -4,-0.1 2,-0.0 -0.559 76.9-109.1 -68.3 124.6 -31.5 6.1 -45.4 8 25 A P - 0 0 45 0, 0.0 274,-0.2 0, 0.0 273,-0.1 -0.347 25.8-157.1 -56.2 134.2 -29.4 3.9 -43.1 9 26 A R + 0 0 53 272,-2.8 11,-2.9 271,-0.1 2,-0.3 0.578 69.6 57.7 -95.1 -11.9 -28.8 5.9 -39.9 10 27 A V E -A 19 0A 3 9,-0.3 2,-0.3 271,-0.1 9,-0.2 -0.823 62.9-165.6-116.9 157.8 -25.6 4.0 -38.8 11 28 A E E -A 18 0A 64 7,-2.5 7,-2.6 -2,-0.3 2,-0.4 -0.976 27.7-106.3-139.8 152.8 -22.3 3.4 -40.5 12 29 A E E +A 17 0A 100 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.656 38.7 174.8 -77.6 130.9 -19.3 1.1 -40.0 13 30 A K E > -A 16 0A 106 3,-3.2 3,-1.5 -2,-0.4 -2,-0.0 -0.915 66.6 -26.2-142.7 112.2 -16.3 2.9 -38.6 14 31 A D T 3 S- 0 0 142 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.833 127.5 -43.3 52.9 42.6 -13.1 1.0 -37.6 15 32 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.3 185,-0.0 2,-0.3 0.307 124.2 85.0 94.0 -7.9 -14.9 -2.3 -36.9 16 33 A Y E < S-A 13 0A 19 -3,-1.5 -3,-3.2 184,-0.1 2,-0.5 -0.780 74.2-118.7-122.7 166.4 -17.9 -0.9 -35.0 17 34 A W E +A 12 0A 54 182,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.932 34.8 176.8-112.9 123.2 -21.2 0.6 -36.0 18 35 A I E -A 11 0A 24 -7,-2.6 -7,-2.5 -2,-0.5 2,-0.2 -0.924 36.5 -97.9-127.2 147.3 -22.0 4.2 -35.0 19 36 A L E -A 10 0A 1 -2,-0.3 -9,-0.3 -9,-0.2 5,-0.1 -0.448 47.5-111.8 -58.4 128.6 -24.8 6.6 -35.5 20 37 A K > - 0 0 36 -11,-2.9 3,-2.1 -2,-0.2 4,-0.2 -0.336 28.2-110.7 -59.8 145.5 -24.1 8.9 -38.4 21 38 A E G > S+ 0 0 128 1,-0.3 3,-1.1 2,-0.2 4,-0.1 0.828 115.3 55.0 -47.6 -41.6 -23.5 12.6 -37.4 22 39 A Q G 3 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.521 105.2 53.0 -77.4 -4.7 -26.7 13.8 -39.0 23 40 A F G < S+ 0 0 46 -3,-2.1 -1,-0.2 -14,-0.2 -2,-0.2 0.279 82.4 90.3-111.2 12.2 -28.9 11.3 -37.0 24 41 A R X + 0 0 82 -3,-1.1 3,-1.0 -4,-0.2 2,-0.2 0.527 57.0 110.6 -88.3 -7.9 -27.7 12.1 -33.5 25 42 A K T 3 S+ 0 0 199 1,-0.2 -3,-0.0 -3,-0.2 0, 0.0 -0.478 86.4 4.9 -68.8 135.2 -30.3 14.9 -32.8 26 43 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.2 -2,-0.2 261,-0.1 0.553 88.5 154.3 75.0 10.7 -32.9 14.0 -30.1 27 44 A I < - 0 0 17 -3,-1.0 259,-0.2 1,-0.1 -1,-0.2 -0.295 45.6-105.1 -72.2 155.6 -31.5 10.7 -29.2 28 45 A N > - 0 0 10 257,-1.9 4,-1.5 258,-0.3 3,-0.3 -0.231 34.8-100.3 -74.0 166.8 -32.0 9.1 -25.7 29 46 A P H > S+ 0 0 81 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.809 120.8 58.0 -59.7 -31.5 -29.3 9.0 -23.0 30 47 A Q H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.893 104.1 52.0 -67.0 -39.0 -28.4 5.3 -23.7 31 48 A E H > S+ 0 0 1 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.876 107.6 53.1 -61.5 -37.4 -27.6 6.3 -27.3 32 49 A K H X S+ 0 0 106 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.903 106.0 53.2 -65.0 -40.6 -25.3 9.0 -26.0 33 50 A V H X S+ 0 0 7 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.931 108.6 49.8 -56.8 -46.7 -23.6 6.4 -23.8 34 51 A K H < S+ 0 0 10 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 112.9 46.5 -64.8 -35.1 -22.9 4.2 -26.9 35 52 A I H < S+ 0 0 54 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.907 106.1 58.5 -70.5 -43.0 -21.5 7.2 -28.9 36 53 A E H < S- 0 0 95 -4,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.862 130.4 -5.7 -60.0 -39.5 -19.3 8.4 -26.0 37 54 A K S < S- 0 0 57 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.0 -0.882 76.1-114.7-157.2 131.8 -17.5 5.0 -26.0 38 55 A E > - 0 0 14 -2,-0.3 3,-1.5 -3,-0.2 4,-0.4 -0.465 22.6-148.9 -62.1 114.8 -18.2 1.8 -27.9 39 56 A P T > S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.850 91.3 65.6 -57.1 -35.7 -19.3 -0.8 -25.3 40 57 A M T >> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 3,-1.1 0.706 84.9 74.4 -63.2 -19.5 -17.8 -3.8 -27.3 41 58 A K H <> S+ 0 0 76 -3,-1.5 6,-1.9 1,-0.2 4,-1.6 0.800 82.1 69.2 -62.3 -28.2 -14.3 -2.4 -26.8 42 59 A L H <4 S+ 0 0 3 -3,-1.8 6,-2.4 -4,-0.4 7,-0.3 0.844 118.2 20.7 -58.3 -33.1 -14.5 -3.6 -23.2 43 60 A F H X4 S+ 0 0 60 -3,-1.1 3,-1.2 -4,-0.4 -2,-0.2 0.870 128.1 44.9 -96.2 -56.6 -14.3 -7.1 -24.6 44 61 A M H 3< S+ 0 0 73 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.1 0.711 126.7 31.0 -71.0 -24.3 -12.9 -6.9 -28.1 45 62 A E T 3< S- 0 0 115 -4,-1.6 -1,-0.3 -5,-0.3 -3,-0.1 0.147 111.8-117.1-113.1 14.0 -10.0 -4.5 -27.2 46 63 A N X> + 0 0 74 -3,-1.2 3,-1.2 1,-0.1 4,-0.5 0.800 60.4 153.2 55.0 35.3 -9.8 -5.9 -23.7 47 64 A G H 3> + 0 0 30 -6,-1.9 4,-1.9 1,-0.2 3,-0.4 0.767 62.6 72.5 -60.6 -25.3 -10.8 -2.6 -22.0 48 65 A I H 3> S+ 0 0 2 -6,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.809 83.3 68.2 -61.2 -31.0 -12.1 -4.7 -19.1 49 66 A E H <4 S+ 0 0 83 -3,-1.2 4,-0.4 -7,-0.3 -1,-0.2 0.929 109.5 32.4 -57.6 -49.8 -8.6 -5.5 -17.9 50 67 A E H >X S+ 0 0 112 -4,-0.5 3,-0.9 -3,-0.4 4,-0.6 0.873 116.9 56.0 -77.1 -37.3 -7.7 -1.9 -16.9 51 68 A L H >< S+ 0 0 8 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.911 101.5 58.3 -58.1 -43.3 -11.3 -1.0 -15.8 52 69 A A T 3< S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.685 99.5 59.3 -63.5 -19.8 -11.4 -4.0 -13.4 53 70 A K T <4 S+ 0 0 138 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.666 84.3 94.3 -81.7 -20.6 -8.4 -2.6 -11.5 54 71 A I S << S- 0 0 48 -3,-1.5 5,-0.1 -4,-0.6 82,-0.0 -0.618 85.5-114.0 -79.7 125.4 -10.0 0.7 -10.6 55 72 A P >> - 0 0 79 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.326 24.2-123.3 -55.8 138.1 -11.7 0.7 -7.2 56 73 A I H 3> S+ 0 0 30 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.802 110.4 60.2 -59.0 -31.0 -15.5 1.1 -7.6 57 74 A E H 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.869 109.6 43.6 -64.7 -35.1 -15.5 4.3 -5.4 58 75 A E H X4 S+ 0 0 112 -3,-1.0 3,-1.7 2,-0.2 4,-0.3 0.882 108.9 57.4 -73.4 -41.6 -13.2 5.9 -8.0 59 76 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 7,-0.4 0.894 101.9 56.8 -53.1 -42.2 -15.2 4.5 -10.9 60 77 A D T 3< S+ 0 0 38 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.555 92.2 72.8 -69.3 -8.5 -18.3 6.3 -9.6 61 78 A Q T < S+ 0 0 161 -3,-1.7 2,-0.4 -4,-0.1 -1,-0.2 0.534 96.1 49.9 -87.9 -7.6 -16.5 9.6 -9.7 62 79 A S S <> S- 0 0 54 -3,-1.4 4,-2.4 -4,-0.3 5,-0.2 -0.996 73.2-136.4-134.0 141.1 -16.5 10.0 -13.5 63 80 A K H > S+ 0 0 118 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.890 102.7 56.1 -57.3 -45.1 -19.4 9.7 -16.0 64 81 A L H > S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.921 114.9 35.8 -57.3 -50.0 -17.4 7.6 -18.5 65 82 A T H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.833 115.5 54.2 -77.0 -33.6 -16.4 4.9 -16.0 66 83 A K H X S+ 0 0 79 -4,-2.4 4,-2.4 -7,-0.4 5,-0.2 0.922 110.9 47.6 -64.2 -42.1 -19.7 4.9 -14.1 67 84 A D H X>S+ 0 0 27 -4,-2.9 5,-2.4 -5,-0.2 4,-2.0 0.841 106.8 59.8 -64.0 -34.8 -21.4 4.4 -17.5 68 85 A D H <>S+ 0 0 4 -4,-1.4 5,-2.1 -5,-0.2 -2,-0.2 0.954 114.7 32.6 -55.5 -51.3 -18.9 1.6 -18.2 69 86 A I H <5S+ 0 0 0 -4,-2.1 11,-0.6 1,-0.2 -2,-0.2 0.811 125.4 41.4 -82.0 -28.0 -20.0 -0.4 -15.2 70 87 A D H <5S+ 0 0 33 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.2 0.682 135.8 3.5 -90.6 -21.5 -23.7 0.5 -15.1 71 88 A V T ><5S+ 0 0 21 -4,-2.0 3,-1.6 -5,-0.2 4,-0.3 0.649 123.9 50.4-130.3 -60.4 -24.4 0.4 -18.9 72 89 A R G > XS+ 0 0 0 -5,-2.1 5,-2.3 -6,-0.3 3,-1.8 0.700 83.2 75.9 -63.0 -17.0 -20.7 -3.9 -19.2 74 91 A K G X 5S+ 0 0 44 -3,-1.6 83,-1.4 1,-0.3 3,-1.2 0.748 84.2 65.4 -67.2 -20.1 -24.2 -5.3 -20.1 75 92 A W G < 5S+ 0 0 0 -3,-2.0 80,-3.1 -4,-0.3 -1,-0.3 0.660 104.8 44.8 -69.6 -17.4 -22.6 -5.9 -23.6 76 93 A L G < 5S- 0 0 0 -3,-1.8 -1,-0.2 78,-0.2 -2,-0.2 0.141 127.5-104.2-106.8 12.6 -20.4 -8.4 -21.6 77 94 A G T < 5S+ 0 0 0 -3,-1.2 15,-2.4 1,-0.2 2,-0.5 0.691 78.9 134.3 74.6 23.0 -23.4 -9.8 -19.8 78 95 A L E < -B 91 0B 0 -5,-2.3 2,-0.6 13,-0.2 -1,-0.2 -0.926 34.1-170.4-114.5 126.6 -22.6 -7.9 -16.5 79 96 A F E -B 90 0B 15 11,-2.9 11,-2.4 -2,-0.5 2,-0.3 -0.930 17.3-139.7-124.7 102.2 -25.3 -6.1 -14.7 80 97 A H E -B 89 0B 9 -11,-0.6 2,-1.4 -2,-0.6 9,-0.2 -0.473 5.5-149.4 -64.7 124.1 -24.3 -3.8 -11.7 81 98 A R > + 0 0 34 7,-2.9 4,-2.3 4,-0.4 7,-0.3 -0.518 33.7 163.8 -88.7 64.8 -26.9 -4.2 -8.9 82 99 A R T 4 + 0 0 62 -2,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.893 67.0 33.9 -57.4 -48.7 -26.3 -0.6 -7.9 83 100 A K T 4 S+ 0 0 151 -3,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.922 130.4 26.0 -74.3 -45.8 -29.3 -0.1 -5.7 84 101 A N T 4 S+ 0 0 51 344,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.580 137.1 18.3-105.3 -13.4 -29.9 -3.5 -4.1 85 102 A Q S >< S- 0 0 15 -4,-2.3 3,-2.1 343,-0.2 -4,-0.4 -0.332 84.5-154.5-152.6 60.9 -26.5 -5.2 -4.0 86 103 A Y T 3 S+ 0 0 90 -4,-0.3 -4,-0.2 -3,-0.3 3,-0.1 -0.027 74.9 13.3 -48.8 133.9 -24.0 -2.3 -4.5 87 104 A G T 3 S+ 0 0 14 1,-0.3 49,-0.5 -31,-0.1 2,-0.3 0.409 105.3 105.4 82.9 -2.1 -20.7 -3.3 -6.1 88 105 A R E < - 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0 0 32 -3,-2.0 3,-1.7 -4,-0.3 4,-0.3 -0.434 65.7-134.2 -63.9 126.0 -32.0 -39.7 -5.0 404 421 A P G > S+ 0 0 100 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.837 100.9 63.1 -50.8 -38.4 -32.4 -37.4 -1.9 405 422 A V G >> S+ 0 0 21 1,-0.3 4,-2.6 2,-0.2 3,-1.6 0.770 87.9 72.0 -63.9 -22.5 -32.1 -34.2 -3.9 406 423 A L G <4 S+ 0 0 10 -3,-1.7 -1,-0.3 1,-0.3 -53,-0.1 0.596 84.2 68.4 -69.4 -8.7 -35.3 -35.1 -5.8 407 424 A S G <4 S+ 0 0 112 -3,-2.1 -1,-0.3 -4,-0.3 3,-0.2 0.756 112.4 31.4 -74.2 -24.7 -37.2 -34.3 -2.6 408 425 A T T <4 S+ 0 0 85 -3,-1.6 2,-0.8 -4,-0.4 -2,-0.2 0.836 129.1 37.3 -95.5 -46.3 -36.2 -30.7 -3.2 409 426 A F S < S- 0 0 5 -4,-2.6 -1,-0.2 -55,-0.1 -55,-0.2 -0.825 94.6-164.7-109.0 86.1 -36.1 -30.6 -7.0 410 427 A S - 0 0 29 -2,-0.8 -57,-2.7 -57,-0.3 -3,-0.1 -0.496 33.9-150.1 -89.3 141.5 -39.0 -32.9 -7.7 411 428 A P S S+ 0 0 20 0, 0.0 -60,-0.2 0, 0.0 -1,-0.1 0.593 102.4 29.3 -74.4 -11.1 -40.1 -34.7 -10.8 412 429 A D S S+ 0 0 115 -74,-0.1 3,-0.1 -59,-0.1 -60,-0.1 -0.417 77.2 162.9-149.0 68.1 -43.7 -34.4 -9.6 413 430 A P - 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