==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 02-DEC-99 1DJ7 . COMPND 2 MOLECULE: FERREDOXIN THIOREDOXIN REDUCTASE: CATALYTIC CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR S.DAI,C.SCHWENDTMAYER,P.SCHURMANN,S.RAMASWAMY,H.EKLUND . 182 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9468.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 63.7 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 . 11 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 0 1 0 0 0 0 0 0 0 1 1 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 0 115 0, 0.0 4,-2.3 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 91.2 19.3 6.6 50.2 2 8 A N H 3> + 0 0 120 1,-0.3 4,-1.6 2,-0.3 5,-0.1 0.759 360.0 57.6 -53.8 -26.9 15.8 7.3 51.3 3 9 A K H 3> S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.903 107.8 48.6 -68.1 -44.2 16.9 10.8 52.2 4 10 A T H <> S+ 0 0 26 -3,-0.6 4,-2.9 2,-0.2 -2,-0.3 0.886 106.5 55.4 -63.6 -40.0 18.0 10.9 48.5 5 11 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.909 112.2 43.4 -60.8 -39.9 14.5 9.6 47.4 6 12 A A H X S+ 0 0 43 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.865 112.3 52.5 -72.3 -39.0 12.9 12.5 49.3 7 13 A A H X S+ 0 0 62 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.937 109.5 50.0 -63.0 -43.0 15.4 15.0 48.0 8 14 A M H X S+ 0 0 10 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.880 108.7 51.4 -62.9 -41.0 14.7 13.8 44.4 9 15 A K H X S+ 0 0 37 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.896 111.2 48.1 -59.4 -44.4 10.9 14.1 44.9 10 16 A N H X S+ 0 0 89 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.898 110.4 52.3 -65.1 -40.5 11.3 17.7 46.2 11 17 A F H X S+ 0 0 35 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.925 109.2 49.2 -58.6 -51.3 13.6 18.5 43.2 12 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 112.7 47.0 -57.5 -43.4 11.0 17.2 40.7 13 19 A E H X S+ 0 0 27 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.908 115.3 45.3 -68.5 -40.2 8.2 19.2 42.3 14 20 A Q H X S+ 0 0 104 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.867 113.5 49.8 -72.1 -36.9 10.3 22.4 42.5 15 21 A Y H X S+ 0 0 42 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.916 108.5 52.5 -69.4 -38.7 11.6 22.0 38.9 16 22 A A H <>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.2 4,-0.4 0.918 112.2 46.3 -61.6 -42.6 8.1 21.5 37.5 17 23 A K H ><5S+ 0 0 117 -4,-1.7 3,-1.0 79,-0.3 -1,-0.2 0.928 111.9 50.2 -68.0 -42.4 6.9 24.6 39.1 18 24 A R H 3<5S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.739 117.3 40.1 -66.8 -26.9 9.9 26.7 38.0 19 25 A T T 3<5S- 0 0 20 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.265 108.4-118.1-103.4 5.7 9.6 25.6 34.4 20 26 A D T < 5 + 0 0 108 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.2 0.936 69.6 137.7 55.6 44.8 5.7 25.7 34.2 21 27 A T < - 0 0 0 -5,-2.7 2,-0.3 -6,-0.2 65,-0.2 -0.786 40.5-144.0-120.8 159.5 5.7 22.0 33.5 22 28 A Y B -A 85 0A 58 63,-2.8 63,-2.6 -2,-0.3 74,-0.2 -0.903 16.5-105.1-124.9 157.3 3.4 19.3 34.9 23 29 A F - 0 0 0 72,-3.1 70,-3.0 -2,-0.3 72,-0.3 -0.386 49.8 -85.1 -80.8 159.0 3.5 15.7 36.0 24 30 A C B -B 92 0B 11 58,-0.5 68,-0.3 59,-0.2 -1,-0.1 -0.250 37.2-118.0 -52.1 149.4 2.0 12.9 33.9 25 31 A S S S+ 0 0 85 66,-2.3 2,-0.9 1,-0.2 -1,-0.1 0.801 111.4 63.8 -65.4 -24.9 -1.7 12.4 34.5 26 32 A D S >> S- 0 0 83 65,-0.3 3,-1.8 1,-0.1 4,-1.0 -0.827 75.5-165.4 -98.7 100.5 -0.7 8.9 35.8 27 33 A L H 3> S+ 0 0 46 -2,-0.9 4,-2.5 1,-0.3 -1,-0.1 0.668 81.8 69.8 -63.6 -15.8 1.5 9.7 38.9 28 34 A S H 3> S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.839 96.6 54.7 -71.6 -26.8 2.9 6.2 39.0 29 35 A V H <> S+ 0 0 47 -3,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.960 110.3 45.6 -63.5 -49.3 4.8 7.1 35.8 30 36 A T H X S+ 0 0 0 -4,-1.0 4,-2.5 1,-0.2 -2,-0.2 0.896 112.0 51.7 -56.1 -48.9 6.2 10.1 37.6 31 37 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.890 106.8 52.5 -61.9 -38.8 7.0 8.0 40.7 32 38 A V H X S+ 0 0 93 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.906 111.7 46.4 -64.5 -40.5 8.9 5.4 38.7 33 39 A V H X S+ 0 0 13 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.935 111.7 51.1 -69.6 -39.3 11.1 8.1 37.1 34 40 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.953 110.9 48.8 -63.8 -41.5 11.7 9.8 40.5 35 41 A E H X S+ 0 0 15 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.892 110.7 50.8 -65.1 -36.1 12.8 6.5 42.0 36 42 A G H X S+ 0 0 18 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.820 107.8 52.8 -68.1 -34.9 15.1 5.7 39.1 37 43 A L H X S+ 0 0 1 -4,-1.9 4,-2.8 -3,-0.2 -1,-0.2 0.944 111.6 46.0 -64.2 -46.0 16.7 9.2 39.4 38 44 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.915 111.6 51.5 -62.8 -45.1 17.4 8.5 43.1 39 45 A R H X S+ 0 0 152 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.951 112.7 45.6 -57.8 -50.9 18.7 5.0 42.4 40 46 A H H X>S+ 0 0 23 -4,-2.4 4,-3.4 1,-0.2 5,-0.6 0.934 111.0 53.2 -59.3 -43.3 21.1 6.4 39.8 41 47 A K H X5S+ 0 0 82 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.898 112.7 44.9 -60.5 -39.4 22.1 9.2 42.1 42 48 A E H <5S+ 0 0 75 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.932 120.7 38.5 -68.5 -46.4 22.9 6.7 44.8 43 49 A E H <5S+ 0 0 109 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.866 132.9 21.5 -70.7 -42.8 24.8 4.3 42.5 44 50 A L H <5S- 0 0 53 -4,-3.4 -3,-0.2 2,-0.3 -2,-0.2 0.587 98.5-115.6-106.9 -16.9 26.6 6.9 40.3 45 51 A G S < - 0 0 44 100,-0.2 4,-1.8 1,-0.1 3,-0.3 -0.695 63.6-177.3-148.6 89.7 29.0 3.5 29.9 57 63 A K H > S+ 0 0 83 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.830 85.4 55.6 -59.9 -36.8 27.0 5.2 32.7 58 64 A E H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 109.3 47.2 -63.9 -41.0 30.1 6.5 34.5 59 65 A A H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.855 109.6 54.8 -67.4 -37.1 31.2 8.3 31.4 60 66 A E H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 6,-0.4 0.919 107.6 48.5 -60.9 -44.4 27.7 9.7 30.9 61 67 A V H < S+ 0 0 20 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 112.7 49.1 -66.1 -34.2 27.7 11.2 34.5 62 68 A K H < S+ 0 0 38 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.920 112.1 46.7 -70.8 -42.5 31.1 12.7 33.8 63 69 A N H < S- 0 0 24 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.911 95.5-155.1 -63.7 -42.8 30.0 14.2 30.5 64 70 A T >< + 0 0 76 -4,-2.5 3,-1.7 -5,-0.2 -3,-0.1 0.206 54.1 121.3 87.3 -7.4 26.8 15.5 32.2 65 71 A F T 3 S+ 0 0 3 1,-0.3 6,-2.4 -5,-0.2 -4,-0.1 0.848 83.8 35.9 -51.4 -44.2 24.4 15.7 29.2 66 72 A W T 3 S+ 0 0 6 -6,-0.4 -17,-2.3 4,-0.2 2,-0.4 0.227 84.0 119.3 -98.0 11.2 21.9 13.3 30.7 67 73 A N B < S-C 48 0C 21 -3,-1.7 -19,-0.3 -19,-0.2 -6,-0.0 -0.722 82.1 -67.8 -77.1 128.8 22.2 14.3 34.4 68 74 A C S S+ 0 0 27 -21,-2.8 2,-0.2 -2,-0.4 -2,-0.1 -0.588 131.2 36.0 -60.3 150.3 18.7 15.5 35.4 69 75 A P S S- 0 0 24 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.285 102.3-157.0 -36.3 118.8 17.5 18.2 34.3 70 76 A C > - 0 0 15 -4,-0.2 4,-3.0 -2,-0.2 5,-0.2 -0.123 28.7 -94.3 -73.0 174.3 19.3 17.1 31.1 71 77 A V H >>S+ 0 0 4 -6,-2.4 4,-3.0 1,-0.2 5,-0.5 0.934 124.0 50.2 -55.4 -53.6 20.4 19.3 28.2 72 78 A P H >5S+ 0 0 7 0, 0.0 6,-2.1 0, 0.0 4,-1.7 0.868 115.1 43.9 -55.6 -38.0 17.2 18.7 26.2 73 79 A M H >5S+ 0 0 3 4,-0.3 4,-1.7 3,-0.2 -2,-0.2 0.951 115.5 46.8 -74.9 -45.8 15.0 19.6 29.2 74 80 A R H <5S+ 0 0 103 -4,-3.0 52,-0.2 1,-0.2 -3,-0.2 0.887 126.5 27.9 -61.9 -43.2 17.1 22.7 30.2 75 81 A E H <5S+ 0 0 5 -4,-3.0 51,-2.1 -5,-0.2 52,-0.4 0.869 139.3 16.4 -87.6 -44.7 17.3 24.1 26.7 76 82 A R H < - 0 0 28 -2,-0.6 3,-1.5 5,-0.3 4,-0.0 -0.922 11.4-170.8-119.5 99.5 11.6 15.4 28.7 80 86 A H T 3 S+ 0 0 137 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.792 86.0 60.2 -60.9 -24.9 11.7 11.9 27.2 81 87 A a T 3 S- 0 0 15 1,-0.1 -1,-0.3 3,-0.0 -48,-0.1 0.659 106.2-125.5 -77.5 -14.6 10.8 10.2 30.5 82 88 A M S < S+ 0 0 77 -3,-1.5 -58,-0.5 2,-0.2 3,-0.2 0.801 76.8 121.8 69.8 33.9 7.6 12.1 30.7 83 89 A L S S+ 0 0 2 1,-0.3 2,-0.6 -60,-0.1 -59,-0.2 0.909 77.0 33.4 -85.8 -49.6 8.5 13.5 34.1 84 90 A F S S- 0 0 3 -61,-0.1 2,-0.4 -63,-0.1 -5,-0.3 -0.904 80.5-179.2-111.5 105.2 8.2 17.1 33.1 85 91 A L B -A 22 0A 5 -63,-2.6 -63,-2.8 -2,-0.6 -7,-0.1 -0.839 27.3-121.6-110.2 142.2 5.5 17.7 30.5 86 92 A T > - 0 0 32 -2,-0.4 3,-1.6 -65,-0.2 6,-0.2 -0.406 35.4-108.3 -73.7 155.9 4.5 21.0 28.9 87 93 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.737 116.4 57.1 -57.7 -27.6 0.8 21.9 29.4 88 94 A D T 3 S+ 0 0 129 3,-0.0 2,-0.1 2,-0.0 -2,-0.0 0.660 81.6 112.3 -76.7 -21.2 -0.2 21.1 25.8 89 95 A N S X S- 0 0 51 -3,-1.6 3,-2.0 1,-0.1 -4,-0.1 -0.337 71.5-132.3 -60.7 136.3 1.1 17.5 26.1 90 96 A D T 3 S+ 0 0 145 1,-0.3 -1,-0.1 -2,-0.1 -65,-0.0 0.733 105.7 49.3 -56.9 -31.8 -1.6 14.8 26.0 91 97 A F T 3 S+ 0 0 100 -67,-0.1 -66,-2.3 -66,-0.0 2,-0.4 0.306 84.3 113.0 -94.0 4.9 -0.1 13.0 29.0 92 98 A A B < -B 24 0B 21 -3,-2.0 -68,-0.2 -68,-0.3 -69,-0.1 -0.656 43.7-174.2 -80.8 132.1 0.1 16.1 31.2 93 99 A G - 0 0 24 -70,-3.0 -68,-0.1 -2,-0.4 -1,-0.1 -0.002 38.6-100.0 -96.1-143.0 -2.1 16.1 34.2 94 100 A D S S+ 0 0 138 -70,-0.1 2,-0.3 -69,-0.1 -70,-0.1 0.333 80.9 109.4-127.6 6.7 -2.4 19.1 36.4 95 101 A A + 0 0 33 -72,-0.3 -72,-3.1 -71,-0.1 -2,-0.2 -0.636 32.4 174.4 -89.7 143.0 -0.2 18.2 39.3 96 102 A Q S S+ 0 0 50 -2,-0.3 2,-0.3 -74,-0.2 -79,-0.3 0.059 76.1 60.9-122.7 15.0 3.1 19.8 40.1 97 103 A D - 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