==== 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 3VKS . 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) . 21155.0 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 . 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 . 80 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 22.3 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 0 119 0, 0.0 5,-0.0 0, 0.0 299,-0.0 0.000 360.0 360.0 360.0 116.4 -42.9 7.4 -45.9 2 19 A A > - 0 0 66 1,-0.1 3,-1.2 3,-0.0 4,-0.4 -0.284 360.0-117.6 -65.3 151.7 -40.5 9.7 -47.7 3 20 A A G > S+ 0 0 87 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.810 112.3 65.6 -60.4 -33.1 -37.3 8.2 -49.3 4 21 A E G > S+ 0 0 166 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.765 89.9 66.1 -61.0 -27.7 -35.1 10.2 -46.9 5 22 A R G < S+ 0 0 27 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.735 94.9 59.5 -64.6 -22.9 -36.5 8.2 -44.0 6 23 A L G < S+ 0 0 51 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.374 73.6 118.8 -92.1 3.0 -34.8 5.1 -45.5 7 24 A E S < S- 0 0 77 -3,-1.3 -3,-0.0 -4,-0.1 -4,-0.0 -0.566 76.7-108.6 -68.8 123.5 -31.2 6.5 -45.3 8 25 A P - 0 0 47 0, 0.0 274,-0.2 0, 0.0 273,-0.1 -0.303 26.8-158.1 -53.8 134.4 -29.1 4.3 -43.0 9 26 A R + 0 0 54 272,-2.7 11,-3.1 271,-0.1 2,-0.3 0.578 68.6 57.7 -97.0 -11.9 -28.4 6.3 -39.8 10 27 A V E -A 19 0A 3 9,-0.3 2,-0.3 271,-0.1 9,-0.2 -0.825 63.0-165.0-116.4 156.8 -25.3 4.4 -38.7 11 28 A E E -A 18 0A 62 7,-2.7 7,-2.8 -2,-0.3 2,-0.4 -0.978 27.2-107.8-138.8 152.9 -22.0 3.8 -40.4 12 29 A E E +A 17 0A 103 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.684 40.2 172.1 -79.1 127.6 -19.0 1.5 -39.9 13 30 A K E > -A 16 0A 103 3,-3.4 3,-1.5 -2,-0.4 -2,-0.0 -0.935 66.6 -20.6-142.1 116.7 -15.9 3.4 -38.6 14 31 A D T 3 S- 0 0 138 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.833 128.3 -47.3 54.8 40.5 -12.7 1.6 -37.4 15 32 A G T 3 S+ 0 0 40 1,-0.3 2,-0.3 185,-0.0 -1,-0.3 0.337 123.7 88.7 89.4 -5.7 -14.5 -1.8 -36.9 16 33 A Y E < S-A 13 0A 18 -3,-1.5 -3,-3.4 184,-0.1 2,-0.6 -0.804 74.3-118.8-122.0 163.6 -17.5 -0.4 -35.0 17 34 A W E +A 12 0A 55 182,-0.4 2,-0.3 -2,-0.3 -5,-0.2 -0.914 35.5 177.3-109.4 121.4 -20.9 1.0 -36.0 18 35 A I E -A 11 0A 22 -7,-2.8 -7,-2.7 -2,-0.6 2,-0.2 -0.893 36.0 -98.2-125.3 148.4 -21.6 4.6 -35.0 19 36 A L E -A 10 0A 2 -2,-0.3 -9,-0.3 -9,-0.2 5,-0.1 -0.458 48.4-109.8 -60.2 129.8 -24.5 7.0 -35.5 20 37 A K > - 0 0 33 -11,-3.1 3,-2.1 -2,-0.2 -1,-0.1 -0.334 26.9-112.5 -61.2 145.6 -23.8 9.4 -38.4 21 38 A E G > S+ 0 0 110 1,-0.3 3,-0.8 2,-0.1 -1,-0.1 0.818 116.6 52.3 -49.4 -40.3 -23.1 13.0 -37.3 22 39 A Q G 3 S+ 0 0 103 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.575 105.3 57.4 -77.0 -9.3 -26.4 14.2 -38.9 23 40 A F G < S+ 0 0 44 -3,-2.1 -1,-0.2 -14,-0.2 -2,-0.1 -0.194 80.9 88.0-113.6 40.5 -28.5 11.6 -37.1 24 41 A R X + 0 0 81 -3,-0.8 3,-1.0 -5,-0.1 2,-0.2 0.463 55.5 112.4-113.9 -6.3 -27.5 12.6 -33.5 25 42 A K T 3 S+ 0 0 199 -3,-0.3 -3,-0.0 1,-0.2 0, 0.0 -0.495 86.7 4.3 -70.0 133.9 -30.1 15.2 -32.7 26 43 A G T 3 S+ 0 0 75 -2,-0.2 -1,-0.2 1,-0.2 261,-0.1 0.533 88.4 154.4 76.2 8.3 -32.7 14.4 -30.1 27 44 A I < - 0 0 19 -3,-1.0 259,-0.2 1,-0.1 -1,-0.2 -0.290 45.8-104.9 -70.3 153.2 -31.2 11.0 -29.1 28 45 A N > - 0 0 10 257,-1.9 4,-1.4 258,-0.3 3,-0.3 -0.198 34.3-100.6 -72.5 166.6 -31.7 9.5 -25.7 29 46 A P H > S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.814 120.8 58.1 -60.8 -31.2 -29.0 9.4 -23.0 30 47 A Q H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.894 103.8 52.4 -66.0 -38.7 -28.1 5.7 -23.7 31 48 A E H > S+ 0 0 1 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.867 106.9 53.9 -62.5 -36.0 -27.3 6.6 -27.3 32 49 A K H X S+ 0 0 105 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.896 105.4 52.8 -65.7 -39.6 -25.0 9.4 -25.9 33 50 A V H X S+ 0 0 7 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.923 108.7 50.4 -59.2 -44.7 -23.2 6.8 -23.8 34 51 A K H < S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.850 112.8 46.0 -65.1 -35.6 -22.6 4.6 -26.9 35 52 A I H < S+ 0 0 56 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.901 106.6 58.5 -71.3 -42.0 -21.2 7.6 -28.9 36 53 A E H < S- 0 0 100 -4,-2.6 2,-0.3 1,-0.3 -2,-0.2 0.859 129.9 -5.3 -59.3 -40.3 -19.0 8.8 -26.0 37 54 A K S < S- 0 0 62 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.0 -0.886 76.8-113.6-158.0 131.0 -17.2 5.4 -26.0 38 55 A E > - 0 0 15 -2,-0.3 3,-1.3 -3,-0.2 4,-0.4 -0.455 22.4-149.4 -62.9 115.1 -17.9 2.2 -27.9 39 56 A P T > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.853 91.6 64.8 -57.0 -36.3 -18.9 -0.4 -25.3 40 57 A M T >> S+ 0 0 0 1,-0.3 4,-3.0 2,-0.2 3,-1.2 0.722 85.2 74.4 -62.9 -20.8 -17.5 -3.3 -27.3 41 58 A K H <> S+ 0 0 77 -3,-1.3 6,-1.9 1,-0.3 4,-1.7 0.802 82.3 68.9 -61.1 -28.5 -13.9 -1.9 -26.8 42 59 A L H <4 S+ 0 0 4 -3,-1.7 6,-2.4 -4,-0.4 7,-0.3 0.843 118.3 21.0 -58.7 -32.8 -14.1 -3.1 -23.2 43 60 A F H X4 S+ 0 0 63 -3,-1.2 3,-1.2 -4,-0.4 -2,-0.2 0.870 128.0 45.1 -96.7 -55.8 -13.9 -6.6 -24.6 44 61 A M H 3< S+ 0 0 74 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.1 0.738 126.5 30.8 -70.8 -25.8 -12.5 -6.4 -28.1 45 62 A E T 3< S- 0 0 115 -4,-1.7 -1,-0.3 -5,-0.3 -3,-0.1 0.120 111.6-116.1-113.1 16.3 -9.6 -4.0 -27.2 46 63 A N X> + 0 0 76 -3,-1.2 3,-1.2 1,-0.1 4,-0.5 0.797 61.0 153.2 53.5 34.8 -9.4 -5.4 -23.6 47 64 A G H 3> + 0 0 32 -6,-1.9 4,-1.9 1,-0.2 3,-0.4 0.784 63.2 71.3 -58.8 -26.7 -10.4 -2.1 -22.1 48 65 A I H 3> S+ 0 0 2 -6,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.812 83.8 67.9 -62.0 -31.4 -11.7 -4.2 -19.1 49 66 A E H <4 S+ 0 0 80 -3,-1.2 4,-0.3 -7,-0.3 -1,-0.2 0.926 109.8 32.8 -57.3 -48.7 -8.2 -5.0 -18.0 50 67 A E H >X S+ 0 0 111 -4,-0.5 3,-1.0 -3,-0.4 4,-0.6 0.875 116.5 56.1 -77.1 -37.6 -7.4 -1.4 -16.9 51 68 A L H >< S+ 0 0 8 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.908 101.3 59.0 -57.6 -42.3 -10.9 -0.5 -15.9 52 69 A A T 3< S+ 0 0 6 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.648 99.5 58.0 -65.9 -16.8 -11.0 -3.5 -13.4 53 70 A K T <4 S+ 0 0 132 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.647 84.0 94.9 -86.7 -18.6 -7.9 -2.1 -11.5 54 71 A I S << S- 0 0 48 -3,-1.5 5,-0.1 -4,-0.6 82,-0.0 -0.633 86.2-114.0 -78.2 124.1 -9.6 1.2 -10.7 55 72 A P >> - 0 0 78 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.312 24.1-122.2 -55.7 139.6 -11.2 1.2 -7.2 56 73 A I H 3> S+ 0 0 31 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.839 110.5 58.8 -57.4 -35.7 -15.0 1.5 -7.6 57 74 A E H 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.864 110.0 44.9 -63.3 -33.7 -15.2 4.7 -5.5 58 75 A E H X4 S+ 0 0 112 -3,-0.9 3,-1.5 2,-0.2 4,-0.3 0.870 108.2 56.9 -73.3 -40.3 -12.8 6.3 -8.0 59 76 A I H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.3 7,-0.4 0.901 102.1 56.9 -55.4 -41.4 -14.8 5.0 -10.9 60 77 A D T 3< S+ 0 0 36 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.584 92.8 71.6 -69.0 -10.1 -17.9 6.7 -9.6 61 78 A Q T < S+ 0 0 161 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 0.552 96.2 50.9 -87.5 -9.4 -16.1 10.1 -9.6 62 79 A S S <> S- 0 0 52 -3,-1.4 4,-2.5 -4,-0.3 5,-0.2 -0.996 73.6-137.6-131.2 138.3 -16.1 10.5 -13.4 63 80 A K H > S+ 0 0 122 -2,-0.4 4,-2.9 1,-0.2 5,-0.3 0.881 101.8 57.2 -56.0 -43.4 -19.0 10.1 -15.9 64 81 A L H > S+ 0 0 85 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.927 114.6 35.3 -57.8 -50.2 -17.0 8.2 -18.4 65 82 A T H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.843 115.2 55.3 -76.9 -34.1 -16.0 5.4 -16.0 66 83 A K H X S+ 0 0 79 -4,-2.5 4,-2.4 -7,-0.4 5,-0.2 0.927 110.3 47.1 -62.0 -43.9 -19.3 5.4 -14.1 67 84 A D H X>S+ 0 0 25 -4,-2.9 5,-2.4 -5,-0.2 4,-2.1 0.834 106.9 60.5 -62.8 -33.9 -21.0 4.9 -17.5 68 85 A D H <>S+ 0 0 4 -4,-1.3 5,-2.1 -5,-0.3 -2,-0.2 0.956 114.3 32.4 -56.6 -51.4 -18.5 2.1 -18.2 69 86 A I H <5S+ 0 0 0 -4,-2.1 11,-0.7 3,-0.2 -2,-0.2 0.811 125.5 41.8 -81.5 -28.8 -19.5 0.1 -15.2 70 87 A D H <5S+ 0 0 33 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.2 0.704 135.9 3.1 -89.1 -22.9 -23.3 1.0 -15.1 71 88 A V T ><5S+ 0 0 22 -4,-2.1 3,-1.5 -5,-0.2 4,-0.3 0.662 124.2 50.9-129.7 -59.6 -24.0 0.8 -18.9 72 89 A R G > XS+ 0 0 0 -5,-2.1 5,-2.4 -6,-0.3 3,-1.8 0.708 83.5 75.6 -64.3 -16.9 -20.3 -3.4 -19.2 74 91 A K G X 5S+ 0 0 44 -3,-1.5 83,-1.4 1,-0.3 3,-1.2 0.739 84.2 65.6 -66.2 -20.4 -23.7 -4.8 -20.1 75 92 A W G < 5S+ 0 0 1 -3,-2.0 80,-3.1 -4,-0.3 -1,-0.3 0.660 104.3 45.5 -70.0 -16.9 -22.2 -5.5 -23.5 76 93 A L G < 5S- 0 0 0 -3,-1.8 -1,-0.2 78,-0.2 -2,-0.2 0.154 127.6-103.9-106.9 12.7 -19.9 -7.9 -21.6 77 94 A G T < 5S+ 0 0 0 -3,-1.2 15,-2.4 1,-0.2 2,-0.5 0.682 79.5 133.8 74.7 20.8 -23.0 -9.3 -19.8 78 95 A L E < -B 91 0B 0 -5,-2.4 2,-0.6 13,-0.2 -1,-0.2 -0.917 34.3-170.7-113.2 127.5 -22.1 -7.5 -16.5 79 96 A F E -B 90 0B 14 11,-3.0 11,-2.4 -2,-0.5 2,-0.2 -0.918 17.3-140.0-126.0 101.9 -24.8 -5.7 -14.6 80 97 A H E -B 89 0B 9 -11,-0.7 2,-1.4 -2,-0.6 9,-0.2 -0.443 5.8-149.4 -63.8 123.2 -23.9 -3.4 -11.7 81 98 A R > + 0 0 34 7,-2.8 4,-2.4 4,-0.4 7,-0.3 -0.505 33.9 163.4 -87.1 64.8 -26.5 -3.8 -8.9 82 99 A R T 4 + 0 0 62 -2,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.885 67.1 34.2 -57.2 -47.3 -25.9 -0.2 -7.9 83 100 A K T 4 S+ 0 0 147 -3,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.923 130.6 25.9 -76.1 -45.7 -29.0 0.3 -5.7 84 101 A N T 4 S+ 0 0 50 344,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.598 137.1 18.1-104.7 -13.1 -29.5 -3.1 -4.1 85 102 A Q S >< S- 0 0 15 -4,-2.4 3,-2.1 343,-0.2 -4,-0.4 -0.334 84.0-154.0-153.3 62.5 -26.1 -4.7 -4.1 86 103 A Y T 3 S+ 0 0 87 -4,-0.3 -4,-0.2 -3,-0.3 3,-0.1 -0.031 75.2 12.6 -50.3 133.9 -23.6 -1.9 -4.5 87 104 A G T 3 S+ 0 0 14 1,-0.3 49,-0.5 -31,-0.1 2,-0.3 0.423 105.3 105.7 81.4 -0.8 -20.2 -2.8 -6.1 88 105 A R E < - 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