==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 09-MAY-07 2PUO . COMPND 2 MOLECULE: FERREDOXIN-THIOREDOXIN REDUCTASE, CATALYTIC . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR S.DAI . 182 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 0 1 1 1 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 7 A N > 0 0 99 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 128.7 22.3 14.4 29.4 2 8 A N H > + 0 0 90 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.801 360.0 56.9 -77.0 -30.4 18.8 15.7 30.2 3 9 A K H > S+ 0 0 167 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.780 105.2 53.3 -70.6 -25.9 20.0 19.3 29.9 4 10 A T H > S+ 0 0 28 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.893 109.0 48.1 -73.9 -41.3 21.1 18.5 26.3 5 11 A L H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.956 112.3 48.1 -63.1 -50.7 17.7 17.1 25.5 6 12 A A H X S+ 0 0 38 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.875 111.7 51.7 -57.8 -37.7 15.9 20.1 26.9 7 13 A A H X S+ 0 0 53 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.931 111.3 45.5 -65.1 -45.6 18.3 22.3 25.0 8 14 A M H X S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.892 111.4 53.9 -64.0 -39.8 17.6 20.5 21.7 9 15 A K H X S+ 0 0 34 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.938 110.1 46.9 -58.3 -48.2 13.8 20.7 22.5 10 16 A N H X S+ 0 0 77 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.903 110.6 52.9 -61.6 -42.5 14.1 24.4 23.0 11 17 A F H X S+ 0 0 53 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.930 109.6 48.0 -58.5 -48.5 16.1 24.7 19.7 12 18 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.925 112.8 47.3 -60.0 -48.2 13.4 22.9 17.7 13 19 A E H X S+ 0 0 19 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.933 115.9 44.4 -61.2 -46.8 10.5 24.9 19.1 14 20 A Q H X S+ 0 0 112 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.875 113.5 49.7 -67.2 -38.3 12.3 28.2 18.5 15 21 A Y H X S+ 0 0 33 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.899 109.4 52.5 -68.0 -39.3 13.5 27.3 15.1 16 22 A A H X>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.2 4,-0.5 0.951 112.5 45.0 -59.8 -48.2 10.0 26.1 14.1 17 23 A K H ><5S+ 0 0 103 -4,-2.1 3,-0.8 79,-0.2 -2,-0.2 0.912 112.8 51.3 -62.3 -42.6 8.5 29.4 15.2 18 24 A R H 3<5S+ 0 0 166 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.861 117.5 37.8 -63.0 -38.2 11.3 31.4 13.5 19 25 A T H 3<5S- 0 0 19 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.313 108.8-119.0 -97.7 7.1 10.8 29.7 10.2 20 26 A D T <<5 + 0 0 83 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.907 69.4 134.9 55.4 43.3 7.0 29.4 10.4 21 27 A T < - 0 0 1 -5,-2.7 2,-0.3 -6,-0.2 65,-0.2 -0.768 42.0-140.7-117.1 167.4 7.2 25.6 10.3 22 28 A Y B -A 85 0A 57 63,-3.3 63,-2.6 -2,-0.3 74,-0.2 -0.906 15.5-106.9-132.0 157.2 5.3 23.1 12.3 23 29 A F - 0 0 0 72,-2.6 70,-2.7 -2,-0.3 72,-0.3 -0.359 52.5 -82.6 -76.4 159.6 5.9 19.7 14.0 24 30 A C B -B 92 0B 7 58,-0.5 68,-0.2 68,-0.2 -1,-0.1 -0.287 34.8-121.8 -59.1 144.0 4.4 16.5 12.7 25 31 A S S S+ 0 0 83 66,-2.7 2,-1.0 1,-0.2 -1,-0.1 0.825 111.6 63.9 -58.3 -28.3 0.8 16.0 13.7 26 32 A D S >> S- 0 0 85 65,-0.4 3,-1.9 1,-0.1 4,-0.9 -0.810 74.9-169.2 -97.3 93.8 2.2 12.7 15.2 27 33 A L H 3> S+ 0 0 42 -2,-1.0 4,-3.1 1,-0.3 5,-0.2 0.586 77.4 77.2 -62.0 -10.2 4.6 14.2 17.8 28 34 A S H 3> S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.844 96.2 48.7 -67.9 -31.1 6.1 10.7 18.4 29 35 A V H <> S+ 0 0 44 -3,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.954 111.3 48.8 -69.0 -50.5 8.0 11.3 15.1 30 36 A T H X S+ 0 0 0 -4,-0.9 4,-2.6 1,-0.2 5,-0.2 0.925 110.4 51.8 -53.4 -48.5 9.1 14.8 16.4 31 37 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.895 107.4 52.2 -57.3 -44.0 10.2 13.2 19.7 32 38 A V H X S+ 0 0 86 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.911 111.7 45.7 -61.8 -42.9 12.3 10.6 17.9 33 39 A V H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.939 112.2 50.1 -66.7 -46.5 14.1 13.2 15.8 34 40 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.920 112.3 47.1 -58.6 -45.4 14.8 15.6 18.7 35 41 A E H X S+ 0 0 21 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.914 111.6 52.0 -63.5 -40.8 16.2 12.8 20.9 36 42 A G H X S+ 0 0 18 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.913 109.6 49.0 -60.6 -43.1 18.3 11.6 18.0 37 43 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.933 110.9 50.4 -61.0 -46.5 19.7 15.2 17.5 38 44 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.905 109.0 51.7 -58.5 -44.1 20.4 15.4 21.2 39 45 A R H X S+ 0 0 151 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.922 110.4 47.7 -61.3 -45.4 22.3 12.1 21.2 40 46 A H H X>S+ 0 0 16 -4,-2.2 4,-3.4 1,-0.2 5,-0.8 0.876 109.6 53.1 -64.3 -37.1 24.5 13.1 18.3 41 47 A K H X5S+ 0 0 90 -4,-2.3 4,-0.9 3,-0.2 -1,-0.2 0.895 110.4 48.4 -65.2 -37.2 25.2 16.4 20.0 42 48 A E H <5S+ 0 0 81 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.872 122.8 32.3 -69.0 -38.2 26.3 14.5 23.1 43 49 A E H <5S+ 0 0 119 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.879 133.4 25.2 -87.5 -44.0 28.6 12.1 21.1 44 50 A L H <5S- 0 0 45 -4,-3.4 -3,-0.2 2,-0.3 -2,-0.1 0.657 98.6-120.0 -96.9 -19.8 29.8 14.2 18.2 45 51 A G S < - 0 0 35 100,-0.1 4,-2.1 1,-0.1 3,-0.5 -0.647 64.4-178.8-152.8 86.2 32.4 9.3 8.5 57 63 A K H > S+ 0 0 78 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.839 86.3 56.0 -56.0 -36.4 30.3 11.0 11.1 58 64 A E H > S+ 0 0 128 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.868 109.4 45.0 -66.1 -37.1 33.3 13.0 12.4 59 65 A A H > S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.848 110.3 55.9 -73.5 -35.0 34.0 14.4 9.0 60 66 A E H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 6,-0.4 0.908 107.0 48.8 -62.9 -43.4 30.3 15.2 8.5 61 67 A V H < S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 111.3 50.7 -65.7 -35.2 30.3 17.2 11.6 62 68 A K H < S+ 0 0 108 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.877 112.3 45.2 -70.1 -39.0 33.4 19.1 10.5 63 69 A N H < S- 0 0 25 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.876 94.2-156.0 -70.0 -37.8 31.9 19.9 7.1 64 70 A T >< + 0 0 69 -4,-2.4 3,-1.6 -5,-0.2 -3,-0.1 0.292 53.1 124.0 79.4 -4.1 28.6 20.9 8.8 65 71 A F T 3 S+ 0 0 2 1,-0.3 6,-2.0 -5,-0.3 -4,-0.1 0.887 83.6 36.1 -53.3 -41.2 26.3 20.3 5.8 66 72 A W T 3 S+ 0 0 5 -6,-0.4 -17,-2.5 4,-0.2 2,-0.5 0.288 85.3 118.8 -98.4 11.1 24.1 18.0 7.9 67 73 A N B < S-C 48 0C 23 -3,-1.6 -19,-0.2 -19,-0.2 -6,-0.0 -0.673 81.1 -71.1 -78.4 124.0 24.4 19.7 11.3 68 74 A C S S+ 0 0 27 -21,-2.6 -1,-0.1 -2,-0.5 -2,-0.1 -0.373 130.8 39.4 -64.2 131.0 20.8 20.7 12.2 69 75 A P S S- 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.362 100.9-157.0 -78.9 128.3 19.4 22.8 10.8 70 76 A C >> - 0 0 16 -4,-0.2 4,-2.9 1,-0.1 3,-0.5 -0.055 28.9 -98.1 -68.3 169.6 21.0 21.4 7.7 71 77 A V H 3> S+ 0 0 4 -6,-2.0 4,-2.8 1,-0.2 5,-0.5 0.883 122.0 53.3 -57.0 -44.5 21.7 23.2 4.4 72 78 A P H 3> S+ 0 0 5 0, 0.0 6,-2.5 0, 0.0 4,-1.4 0.819 114.1 43.3 -63.5 -29.5 18.6 21.8 2.7 73 79 A M H <> S+ 0 0 3 -3,-0.5 4,-1.4 4,-0.3 -2,-0.2 0.922 115.6 46.8 -79.8 -46.8 16.4 23.1 5.6 74 80 A R H < S+ 0 0 110 -4,-2.9 52,-0.2 2,-0.2 -3,-0.2 0.877 127.3 27.6 -63.2 -37.0 18.1 26.5 5.8 75 81 A E H < S+ 0 0 8 -4,-2.8 51,-2.2 -5,-0.2 52,-0.4 0.894 139.8 15.4 -93.6 -43.1 18.0 27.0 2.1 76 82 A R H < S- 0 0 22 -4,-1.4 -3,-0.2 -5,-0.5 -2,-0.2 0.340 92.5-119.8-115.3 5.6 15.0 25.1 0.8 77 83 A K < + 0 0 36 -4,-1.4 2,-0.7 1,-0.2 -4,-0.3 0.842 62.0 151.1 55.9 35.2 13.0 24.4 3.9 78 84 A E - 0 0 100 -6,-2.5 2,-0.6 -7,-0.1 -1,-0.2 -0.887 22.8-178.4-102.1 115.5 13.5 20.7 3.1 79 85 A C > - 0 0 26 -2,-0.7 3,-1.4 5,-0.3 4,-0.0 -0.886 11.4-174.3-119.8 98.6 13.5 18.6 6.3 80 86 A H T 3 S+ 0 0 119 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.825 84.0 60.1 -57.5 -36.4 14.1 14.9 5.5 81 87 A C T 3 S- 0 0 15 1,-0.1 -1,-0.3 3,-0.0 -48,-0.1 0.620 106.1-124.8 -70.4 -14.3 13.5 14.0 9.2 82 88 A M S < S+ 0 0 58 -3,-1.4 -58,-0.5 2,-0.2 3,-0.2 0.862 76.9 120.9 69.8 35.6 10.0 15.4 9.2 83 89 A L S S+ 0 0 2 1,-0.3 2,-0.6 -60,-0.1 -59,-0.2 0.873 73.3 35.5 -91.9 -51.2 10.9 17.6 12.2 84 90 A F S S+ 0 0 4 -61,-0.1 2,-0.4 -63,-0.1 -1,-0.3 -0.915 77.6 179.1-109.2 110.2 10.1 21.0 10.6 85 91 A L B -A 22 0A 6 -63,-2.6 -63,-3.3 -2,-0.6 -7,-0.1 -0.891 27.5-120.6-115.5 142.9 7.2 20.9 8.1 86 92 A T > - 0 0 27 -2,-0.4 3,-2.0 -65,-0.2 6,-0.2 -0.373 34.8-107.0 -73.1 157.0 5.7 23.7 6.1 87 93 A P T 3 S+ 0 0 77 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.795 118.8 55.9 -53.9 -33.0 1.9 24.5 6.7 88 94 A D T 3 S+ 0 0 129 3,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.472 79.9 112.7 -81.7 -3.3 0.9 22.9 3.4 89 95 A N S X S- 0 0 54 -3,-2.0 3,-2.0 1,-0.1 -4,-0.1 -0.578 70.2-135.5 -73.9 128.9 2.6 19.6 4.3 90 96 A D T 3 S+ 0 0 153 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.694 104.1 49.5 -56.4 -21.0 -0.1 16.8 4.7 91 97 A F T 3 S+ 0 0 115 -67,-0.0 -66,-2.7 -66,-0.0 -65,-0.4 0.416 85.2 110.5-101.6 1.8 1.7 15.6 7.8 92 98 A A B < -B 24 0B 24 -3,-2.0 -68,-0.2 -68,-0.2 2,-0.1 -0.558 47.5-165.8 -79.9 139.1 2.1 19.0 9.6 93 99 A G - 0 0 25 -70,-2.7 -68,-0.1 -2,-0.2 -4,-0.1 -0.211 35.5 -98.7-103.9-160.2 0.1 19.6 12.7 94 100 A D S S+ 0 0 148 -2,-0.1 2,-0.3 -69,-0.1 -70,-0.1 0.332 84.9 104.6-106.8 7.2 -0.6 22.9 14.5 95 101 A A + 0 0 26 -72,-0.3 -72,-2.6 1,-0.1 -2,-0.2 -0.664 32.0 168.6 -96.6 146.2 2.0 22.6 17.2 96 102 A Q S S+ 0 0 37 -2,-0.3 2,-0.3 -74,-0.2 -79,-0.2 0.019 74.9 63.7-131.6 15.7 5.4 24.3 17.5 97 103 A D - 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