==== 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 2PVG . COMPND 2 MOLECULE: FERREDOXIN-THIOREDOXIN REDUCTASE, CATALYTIC . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR S.DAI . 277 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 18.8 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.4 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 . 23 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 2 2 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 3 4 3 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 2 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 8 A A > 0 0 86 0, 0.0 4,-1.1 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0 123.1 20.9 17.1 31.8 2 9 A A H > + 0 0 84 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.913 360.0 57.1 -70.3 -44.2 19.4 20.2 30.0 3 10 A T H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.835 100.1 60.6 -56.2 -34.8 20.2 18.8 26.6 4 11 A L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.962 102.4 50.0 -58.5 -52.6 18.1 15.8 27.4 5 12 A A H X S+ 0 0 33 -4,-1.1 4,-3.4 1,-0.2 5,-0.2 0.886 109.2 53.2 -53.6 -41.7 15.0 17.8 28.0 6 13 A A H X S+ 0 0 16 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.916 110.7 45.4 -62.3 -44.0 15.5 19.6 24.6 7 14 A M H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.839 114.5 49.8 -68.4 -30.8 15.8 16.3 22.8 8 15 A K H X S+ 0 0 28 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.944 110.5 48.7 -71.2 -47.1 12.7 15.0 24.7 9 16 A N H X S+ 0 0 44 -4,-3.4 4,-1.6 -5,-0.2 -2,-0.2 0.812 112.9 50.1 -61.8 -30.3 10.7 18.2 23.8 10 17 A F H X S+ 0 0 3 -4,-1.7 4,-3.4 -5,-0.2 5,-0.3 0.985 109.0 48.5 -70.3 -60.0 11.8 17.8 20.2 11 18 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.866 112.4 50.5 -46.8 -45.5 10.8 14.1 19.8 12 19 A E H X S+ 0 0 23 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.928 115.5 40.4 -62.5 -47.0 7.4 14.9 21.4 13 20 A Q H X S+ 0 0 25 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.895 114.4 52.6 -70.0 -40.4 6.6 17.8 19.1 14 21 A Y H X S+ 0 0 9 -4,-3.4 4,-3.0 1,-0.2 6,-0.4 0.906 104.9 54.7 -62.5 -43.3 8.0 16.1 16.0 15 22 A A H <>S+ 0 0 0 -4,-2.3 5,-1.6 -5,-0.3 -1,-0.2 0.882 111.8 45.6 -58.4 -37.7 5.9 13.0 16.5 16 23 A K H <5S+ 0 0 98 -4,-1.2 3,-0.3 3,-0.2 -1,-0.2 0.804 113.2 49.3 -75.2 -31.2 2.8 15.2 16.6 17 24 A R H <5S+ 0 0 59 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.880 118.5 38.3 -75.3 -39.0 3.9 17.3 13.6 18 25 A T T <5S- 0 0 19 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.231 108.0-121.8 -95.9 12.6 4.6 14.2 11.5 19 26 A D T 5 + 0 0 88 -3,-0.3 -3,-0.2 1,-0.2 2,-0.2 0.733 67.1 139.9 55.2 21.8 1.6 12.2 12.8 20 27 A T < - 0 0 1 -5,-1.6 2,-0.3 -6,-0.4 65,-0.2 -0.508 39.6-144.1 -92.7 165.5 4.1 9.5 14.0 21 28 A Y B -A 84 0A 66 63,-3.9 63,-2.4 -2,-0.2 74,-0.2 -0.919 15.4-107.7-130.8 156.8 3.9 7.6 17.3 22 29 A F - 0 0 1 72,-2.5 70,-1.6 -2,-0.3 72,-0.4 -0.402 51.2 -81.3 -78.7 157.4 6.4 6.2 19.9 23 30 A C B -B 91 0B 15 58,-0.4 68,-0.2 59,-0.3 6,-0.2 -0.237 37.1-116.8 -57.4 142.0 7.0 2.5 20.3 24 31 A S S S+ 0 0 93 66,-2.6 2,-0.5 1,-0.3 -1,-0.2 0.575 113.5 62.2 -58.7 -6.1 4.4 0.6 22.3 25 32 A D S >> S- 0 0 82 65,-0.3 3,-2.7 1,-0.1 4,-0.7 -0.758 73.5-167.5-123.1 82.3 7.4 -0.0 24.6 26 33 A L H 3> S+ 0 0 51 -2,-0.5 4,-2.9 1,-0.3 5,-0.2 0.622 79.2 76.8 -44.3 -20.3 8.5 3.4 25.8 27 34 A S H 3> S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.880 95.9 47.9 -61.8 -36.7 11.8 1.9 27.1 28 35 A V H <> S+ 0 0 50 -3,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.903 110.8 51.6 -68.7 -41.3 13.0 1.8 23.5 29 36 A T H >X S+ 0 0 0 -4,-0.7 4,-2.2 1,-0.2 3,-0.6 0.944 108.3 50.1 -59.8 -52.6 11.9 5.4 23.0 30 37 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 -1,-0.2 0.878 105.9 57.5 -54.3 -42.8 13.8 6.7 26.0 31 38 A V H 3X S+ 0 0 70 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.3 0.850 107.9 47.0 -59.5 -36.2 16.9 4.9 24.9 32 39 A V H S+ 0 0 13 -4,-2.7 4,-3.3 1,-0.2 5,-0.9 0.875 113.1 52.8 -54.5 -41.8 25.5 12.9 20.7 40 47 A K H <5S+ 0 0 25 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.849 107.8 50.4 -65.1 -35.3 24.1 16.5 20.7 41 48 A E H <5S+ 0 0 103 -4,-2.2 -1,-0.2 -3,-0.3 -2,-0.2 0.779 119.6 38.2 -73.4 -25.5 26.1 17.3 23.9 42 49 A E H <5S+ 0 0 131 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.936 134.5 16.3 -88.5 -56.9 29.2 15.9 22.2 43 50 A L T <5S- 0 0 61 -4,-3.3 -3,-0.2 2,-0.3 -2,-0.1 0.736 98.1-118.7 -89.9 -28.0 29.1 17.0 18.6 44 51 A G S + 0 0 38 99,-0.1 4,-2.0 2,-0.0 3,-0.4 -0.391 61.3 179.2-175.1 85.6 33.9 9.5 11.6 56 63 A K H > S+ 0 0 83 -3,-0.3 4,-1.9 1,-0.2 5,-0.2 0.797 83.7 61.9 -65.8 -27.7 31.1 11.1 13.6 57 64 A E H > S+ 0 0 89 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.886 109.3 41.2 -66.0 -37.2 32.6 14.5 13.2 58 65 A A H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 3,-0.4 0.897 109.6 57.7 -76.2 -42.3 32.1 14.3 9.4 59 66 A E H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.3 6,-0.4 0.924 104.5 52.1 -52.7 -50.4 28.6 12.7 9.6 60 67 A V H < S+ 0 0 10 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.836 110.3 49.9 -56.3 -33.9 27.3 15.6 11.6 61 68 A K H < S+ 0 0 74 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.822 110.0 48.0 -76.9 -30.5 28.7 17.9 8.9 62 69 A N H < S- 0 0 22 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.777 93.6-157.5 -76.6 -26.9 27.1 15.9 6.1 63 70 A T >< + 0 0 25 -4,-2.2 3,-3.1 -5,-0.2 7,-0.2 0.165 54.8 122.0 69.4 -14.2 23.9 16.1 8.2 64 71 A F T 3 S+ 0 0 2 1,-0.3 6,-1.8 -5,-0.2 -1,-0.1 0.859 82.9 35.9 -43.9 -44.7 22.4 13.0 6.5 65 72 A W T 3 S+ 0 0 5 -6,-0.4 -17,-2.8 4,-0.2 2,-0.6 0.155 86.2 121.6 -99.1 20.9 22.1 11.3 9.8 66 73 A N B < S-C 47 0C 0 -3,-3.1 -19,-0.2 -19,-0.2 155,-0.1 -0.744 78.0 -76.7 -84.8 124.5 21.3 14.3 12.0 67 74 A C S S+ 0 0 14 -21,-2.4 155,-0.2 -2,-0.6 -2,-0.1 -0.432 130.4 41.3 -64.0 129.6 17.9 13.7 13.7 68 75 A P S S- 0 0 1 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.348 101.4-159.3 -81.6 125.4 15.5 13.9 12.1 69 76 A C > - 0 0 12 -4,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.078 29.5-100.1 -65.9 165.2 17.5 12.1 9.4 70 77 A V H >>S+ 0 0 3 -6,-1.8 4,-3.1 1,-0.2 5,-0.6 0.913 120.5 54.8 -53.0 -49.5 16.8 12.1 5.6 71 78 A P H >5S+ 0 0 7 0, 0.0 6,-1.9 0, 0.0 4,-1.7 0.871 113.9 43.3 -55.9 -34.4 15.1 8.7 5.6 72 79 A M H >5S+ 0 0 4 -3,-0.5 4,-1.0 4,-0.3 -2,-0.2 0.881 115.9 45.2 -78.7 -39.6 12.7 9.9 8.2 73 80 A R H <5S+ 0 0 42 -4,-2.4 52,-0.3 2,-0.2 -3,-0.2 0.886 126.7 30.6 -69.5 -40.4 12.0 13.4 6.7 74 81 A E H <5S+ 0 0 5 -4,-3.1 51,-1.6 -5,-0.2 52,-0.4 0.879 140.7 13.3 -88.4 -42.6 11.6 12.0 3.2 75 82 A R H < - 0 0 18 -2,-0.7 3,-1.7 5,-0.5 0, 0.0 -0.868 8.8-171.1-103.5 99.4 13.0 5.8 11.5 79 86 A H T 3 S+ 0 0 122 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.0 0.835 83.8 61.7 -60.3 -32.4 15.5 3.0 11.9 80 87 A a T 3 S- 0 0 14 1,-0.1 -1,-0.3 -3,-0.1 -48,-0.1 0.517 108.0-124.4 -72.8 -2.6 15.8 3.6 15.7 81 88 A M S < S+ 0 0 56 -3,-1.7 -58,-0.4 2,-0.2 3,-0.1 0.618 78.1 123.6 69.1 12.1 12.1 2.9 16.0 82 89 A L S S+ 0 0 2 1,-0.2 2,-0.6 -60,-0.1 -59,-0.3 0.956 71.8 35.8 -67.1 -51.1 11.8 6.3 17.7 83 90 A F S S+ 0 0 4 -61,-0.1 -5,-0.5 -63,-0.0 2,-0.3 -0.923 77.4 177.2-109.6 117.3 9.1 7.6 15.3 84 91 A L B -A 21 0A 6 -63,-2.4 -63,-3.9 -2,-0.6 8,-0.1 -0.909 30.2-115.7-125.0 149.6 6.6 5.1 13.9 85 92 A T > - 0 0 48 -2,-0.3 3,-0.9 -65,-0.2 6,-0.2 -0.498 30.7-118.4 -76.9 145.7 3.5 5.3 11.7 86 93 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -66,-0.1 0.774 118.9 61.3 -54.2 -22.2 0.2 4.5 13.3 87 94 A D T 3 S+ 0 0 136 3,-0.0 4,-0.0 0, 0.0 -3,-0.0 0.906 81.9 103.4 -69.6 -43.4 0.3 1.7 10.7 88 95 A N S < S- 0 0 46 -3,-0.9 3,-0.4 1,-0.1 -4,-0.1 0.016 71.8-136.6 -43.4 141.7 3.4 0.2 12.1 89 96 A D S S+ 0 0 152 1,-0.2 -1,-0.1 -65,-0.0 -65,-0.1 0.943 106.4 49.4 -67.5 -48.1 3.0 -3.0 14.2 90 97 A F S S+ 0 0 124 -67,-0.1 -66,-2.6 -66,-0.0 -65,-0.3 0.533 90.8 119.3 -68.3 -6.6 5.4 -1.8 16.9 91 98 A A B -B 23 0B 20 -3,-0.4 2,-0.2 -68,-0.2 -68,-0.2 -0.295 44.5-169.2 -65.3 144.6 3.5 1.5 17.0 92 99 A G - 0 0 15 -70,-1.6 -68,-0.1 2,-0.2 -8,-0.1 -0.639 32.6-109.4-121.2-179.4 1.8 2.6 20.2 93 100 A D S S+ 0 0 154 -2,-0.2 2,-0.4 -72,-0.1 -70,-0.1 -0.164 81.6 99.6-109.9 42.3 -0.7 5.4 20.8 94 101 A A + 0 0 37 -72,-0.4 -72,-2.5 1,-0.1 -2,-0.2 -0.962 34.6 172.1-126.4 142.5 1.6 7.7 22.8 95 102 A Q + 0 0 37 -2,-0.4 2,-0.3 -74,-0.2 -79,-0.2 0.202 69.9 65.4-129.6 8.9 3.5 10.8 21.6 96 103 A D - 0 0 78 -81,-0.1 -74,-0.1 -74,-0.0 -87,-0.0 -0.950 63.5-160.2-131.2 149.2 4.6 11.9 25.0 97 104 A I - 0 0 2 -2,-0.3 5,-0.1 -89,-0.1 -85,-0.1 -0.986 27.2-109.4-138.2 126.1 7.1 10.2 27.4 98 105 A P >> - 0 0 70 0, 0.0 4,-1.0 0, 0.0 3,-0.7 -0.250 19.0-136.1 -52.8 128.0 7.5 10.8 31.2 99 106 A M H >> S+ 0 0 62 1,-0.3 4,-2.8 2,-0.2 3,-0.7 0.861 107.8 57.9 -53.2 -38.0 10.7 12.6 32.1 100 107 A E H 3> S+ 0 0 125 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.874 99.7 56.4 -60.8 -39.4 11.0 10.0 34.9 101 108 A T H <4 S+ 0 0 26 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.762 112.1 44.0 -64.5 -24.3 10.9 7.2 32.4 102 109 A L H XX S+ 0 0 3 -4,-1.0 3,-2.2 -3,-0.7 4,-1.4 0.894 107.9 55.0 -85.0 -48.0 13.9 8.9 30.7 103 110 A E H 3X S+ 0 0 98 -4,-2.8 4,-0.9 1,-0.3 3,-0.3 0.879 102.0 60.6 -52.1 -40.9 15.9 9.7 33.8 104 111 A E H 3< S+ 0 0 115 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.609 102.8 51.9 -65.0 -12.9 15.7 6.0 34.7 105 112 A K H <4 S+ 0 0 51 -3,-2.2 3,-0.5 1,-0.1 -1,-0.2 0.789 99.4 60.9 -91.5 -34.3 17.5 5.2 31.5 106 113 A K H < S+ 0 0 49 -4,-1.4 2,-0.9 -3,-0.3 -2,-0.2 0.745 87.4 77.9 -62.9 -21.7 20.4 7.6 32.2 107 114 A A < 0 0 87 -4,-0.9 -1,-0.3 1,-0.3 -3,-0.1 -0.102 360.0 360.0 -80.0 38.6 21.0 5.4 35.2 108 115 A S 0 0 147 -2,-0.9 -1,-0.3 -3,-0.5 -2,-0.1 -0.007 360.0 360.0-175.2 360.0 22.6 2.9 32.9 109 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 110 1 B M 0 0 88 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 86.8 26.2 7.7 -11.8 111 2 B N > - 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