==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-NOV-99 1DBY . COMPND 2 MOLECULE: CHLOROPLAST THIOREDOXIN M CH2; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII; . AUTHOR J.-M.LANCELIN,L.GUILHAUDIS,I.KRIMM,M.J.BLACKLEDGE,D.MARION . 107 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 12.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 . 12 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 0 0 0 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 33 0, 0.0 53,-0.8 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0 176.9 -8.3 2.0 -8.4 2 2 A E - 0 0 124 44,-0.2 2,-0.3 1,-0.1 52,-0.1 -0.037 360.0-101.7 -45.0 136.9 -5.7 -0.4 -9.9 3 3 A A - 0 0 15 35,-0.1 52,-0.3 50,-0.1 -1,-0.1 -0.480 38.3-159.6 -69.4 123.1 -2.4 -0.6 -7.9 4 4 A G E -a 55 0A 26 50,-2.7 52,-1.0 -2,-0.3 2,-0.4 -0.079 18.0-109.6 -85.6-169.5 0.5 1.5 -9.3 5 5 A A E -a 56 0A 83 50,-0.2 2,-0.3 19,-0.0 52,-0.2 -0.966 35.1-179.6-126.0 141.3 4.3 1.1 -8.6 6 6 A V E -a 57 0A 3 50,-2.8 52,-1.1 -2,-0.4 2,-0.3 -0.906 13.1-176.0-137.7 165.6 6.4 3.6 -6.6 7 7 A N > - 0 0 44 -2,-0.3 4,-3.3 50,-0.2 5,-0.2 -0.838 56.1 -70.8-146.7 176.8 10.0 4.2 -5.4 8 8 A D H > S+ 0 0 32 -2,-0.3 4,-1.2 1,-0.2 54,-0.1 0.865 130.8 43.7 -39.3 -58.0 11.6 6.8 -3.1 9 9 A D H > S+ 0 0 126 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.939 119.7 38.9 -56.7 -58.6 11.2 9.6 -5.7 10 10 A T H > S+ 0 0 64 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.848 103.8 71.0 -67.1 -35.7 7.6 8.9 -6.9 11 11 A F H X>S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 5,-1.2 0.868 92.6 58.4 -46.1 -47.3 6.4 8.0 -3.3 12 12 A K H <>S+ 0 0 59 -4,-1.2 5,-2.6 -3,-0.5 -1,-0.2 0.952 117.7 30.7 -49.4 -55.3 6.7 11.7 -2.4 13 13 A N H <5S+ 0 0 107 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.977 125.5 42.0 -66.5 -62.0 4.2 12.6 -5.2 14 14 A V H <5S+ 0 0 44 -4,-2.9 -3,-0.2 2,-0.1 -2,-0.2 0.711 134.3 13.9 -64.8 -27.5 2.0 9.5 -5.3 15 15 A V T ><5S+ 0 0 0 -4,-2.8 3,-2.4 -5,-0.4 68,-0.3 0.736 127.8 38.4-115.5 -74.8 1.8 9.1 -1.5 16 16 A L T 3 - 0 0 0 3,-0.3 3,-1.5 30,-0.2 7,-0.3 -0.886 36.4-110.9-171.7 151.4 10.0 -7.1 -2.7 29 29 A P T 3 S+ 0 0 65 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.834 121.4 52.3 -58.5 -33.5 10.7 -9.8 -5.3 30 30 A W T 3 S+ 0 0 124 1,-0.1 2,-1.8 -3,-0.1 4,-0.0 0.670 86.8 96.8 -74.5 -14.2 12.1 -12.1 -2.5 31 31 A a <> - 0 0 3 -3,-1.5 4,-2.6 1,-0.2 -3,-0.3 -0.526 53.0-178.6 -83.5 82.8 8.8 -11.4 -0.5 32 32 A G H > S+ 0 0 34 -2,-1.8 4,-2.4 1,-0.2 5,-0.3 0.885 81.3 48.1 -41.3 -58.0 6.8 -14.5 -1.4 33 33 A P H > S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.908 111.2 52.2 -57.7 -40.4 3.7 -13.5 0.6 34 34 A a H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.960 110.0 48.7 -58.5 -52.1 3.9 -10.0 -1.0 35 35 A R H < S+ 0 0 151 -4,-2.6 -1,-0.2 -7,-0.3 -3,-0.2 0.902 114.9 42.7 -56.0 -48.5 3.9 -11.5 -4.5 36 36 A I H < S+ 0 0 120 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.760 117.4 47.8 -74.5 -22.3 1.0 -13.9 -3.9 37 37 A I H >X S+ 0 0 7 -4,-2.1 4,-2.4 -5,-0.3 3,-1.1 0.835 92.0 82.1 -81.7 -34.5 -1.0 -11.1 -2.0 38 38 A A H 3X S+ 0 0 23 -4,-2.9 4,-2.7 1,-0.3 -2,-0.2 0.767 88.9 50.9 -40.1 -45.4 -0.3 -8.4 -4.8 39 39 A P H 3> S+ 0 0 74 0, 0.0 4,-3.0 0, 0.0 -1,-0.3 0.921 112.8 47.4 -62.5 -40.5 -3.1 -9.7 -7.1 40 40 A V H <> S+ 0 0 28 -3,-1.1 4,-2.7 -4,-0.4 5,-0.3 0.935 111.0 51.5 -62.9 -48.8 -5.5 -9.4 -4.1 41 41 A V H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.933 114.2 44.8 -52.1 -51.4 -4.1 -6.0 -3.3 42 42 A D H X S+ 0 0 62 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.958 113.4 45.8 -62.0 -57.8 -4.8 -4.9 -7.0 43 43 A E H X S+ 0 0 95 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.925 114.1 49.6 -58.1 -43.7 -8.2 -6.3 -7.4 44 44 A I H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.954 111.5 49.4 -56.3 -49.4 -9.4 -4.9 -4.1 45 45 A A H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.861 107.3 55.3 -58.6 -35.3 -7.9 -1.6 -5.1 46 46 A G H >< S+ 0 0 32 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.937 106.7 50.0 -59.1 -49.0 -9.8 -2.0 -8.4 47 47 A E H 3< S+ 0 0 92 -4,-2.5 2,-1.9 1,-0.3 -2,-0.2 0.934 105.8 58.1 -55.2 -47.9 -13.0 -2.4 -6.4 48 48 A Y T 3X S+ 0 0 23 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.3 -0.343 87.9 178.9 -83.5 59.1 -12.1 0.8 -4.4 49 49 A K T <4 + 0 0 117 -2,-1.9 2,-2.7 -3,-0.5 3,-0.4 -0.111 53.6 5.5 -58.8 155.3 -12.0 2.9 -7.6 50 50 A D T 4 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.1 -30,-0.1 -0.299 129.5 47.7 68.5 -55.1 -11.2 6.6 -7.7 51 51 A K T 4 S+ 0 0 84 -2,-2.7 2,-1.2 1,-0.2 -1,-0.2 0.940 93.9 68.9 -82.8 -53.2 -10.4 7.0 -4.0 52 52 A L < - 0 0 2 -4,-1.2 2,-1.7 -3,-0.4 -30,-0.2 -0.576 62.2-165.6 -81.1 99.3 -8.0 4.2 -3.1 53 53 A K E - b 0 22A 61 -32,-2.5 -30,-2.1 -2,-1.2 2,-0.1 -0.625 17.4-166.5 -79.7 87.4 -4.7 4.9 -4.8 54 54 A C E + b 0 23A 0 -2,-1.7 -50,-2.7 -53,-0.8 2,-0.3 -0.463 13.4 167.5 -78.2 152.4 -3.2 1.5 -4.3 55 55 A V E -ab 4 24A 1 -32,-2.9 -30,-2.9 -52,-0.3 2,-0.4 -0.975 31.8-130.3-157.8 166.2 0.5 1.1 -5.0 56 56 A K E -ab 5 25A 40 -52,-1.0 -50,-2.8 -2,-0.3 2,-0.5 -0.993 16.8-164.2-130.3 121.3 3.5 -1.2 -4.5 57 57 A L E -ab 6 26A 0 -32,-2.6 -30,-2.6 -2,-0.4 2,-0.7 -0.924 21.1-131.8-108.4 118.9 6.9 0.1 -3.1 58 58 A N E > - b 0 27A 18 -52,-1.1 4,-2.1 -2,-0.5 -30,-0.2 -0.618 16.7-162.5 -73.9 113.0 10.0 -2.1 -3.6 59 59 A T T 4 S+ 0 0 13 -32,-3.3 -1,-0.2 -2,-0.7 -31,-0.2 0.758 87.7 50.3 -69.7 -28.5 11.5 -2.2 -0.1 60 60 A D T 4 S+ 0 0 104 -33,-0.4 -1,-0.2 1,-0.2 -32,-0.1 0.884 118.9 37.2 -76.6 -40.6 14.9 -3.4 -1.3 61 61 A E T 4 S+ 0 0 126 1,-0.2 -2,-0.2 2,-0.1 -53,-0.2 0.663 129.7 33.7 -83.0 -27.2 15.1 -0.6 -4.0 62 62 A S X + 0 0 3 -4,-2.1 4,-0.8 -55,-0.1 -1,-0.2 -0.475 66.8 142.1-132.3 62.1 13.4 2.0 -1.7 63 63 A P H > + 0 0 51 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.780 57.8 84.9 -68.0 -33.6 14.6 1.1 1.8 64 64 A N H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.884 96.8 31.2 -30.1 -73.6 14.8 4.9 2.5 65 65 A V H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.862 115.4 60.5 -67.0 -35.4 11.2 5.5 3.5 66 66 A A H X>S+ 0 0 2 -4,-0.8 5,-2.7 1,-0.2 4,-2.3 0.915 109.3 44.3 -56.5 -41.2 10.9 2.0 4.9 67 67 A S H <5S+ 0 0 87 -4,-3.1 -2,-0.2 -3,-0.3 -1,-0.2 0.927 111.7 52.3 -68.2 -47.2 13.7 3.0 7.4 68 68 A E H <5S+ 0 0 138 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.883 117.5 38.3 -55.9 -43.3 12.1 6.4 8.0 69 69 A Y H <5S- 0 0 74 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.818 117.2-111.9 -78.7 -34.8 8.8 4.7 8.9 70 70 A G T <5 + 0 0 69 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.858 63.2 146.6 98.2 56.3 10.4 1.7 10.7 71 71 A I < + 0 0 22 -5,-2.7 -1,-0.2 -8,-0.2 3,-0.1 -0.909 9.8 137.3-122.0 146.4 9.6 -1.2 8.4 72 72 A R + 0 0 164 1,-0.6 -1,-0.1 -2,-0.3 2,-0.1 0.236 59.8 68.2-149.3 -64.2 11.6 -4.3 7.6 73 73 A S S S- 0 0 81 2,-0.1 -1,-0.6 -42,-0.0 18,-0.0 -0.430 84.0-120.9 -64.3 144.9 9.3 -7.3 7.5 74 74 A I S S+ 0 0 19 -3,-0.1 -40,-0.2 -2,-0.1 2,-0.2 -0.948 82.3 60.8-143.5 156.3 7.0 -7.3 4.5 75 75 A P + 0 0 2 0, 0.0 16,-2.9 0, 0.0 2,-0.4 0.410 63.3 162.8 -67.1 141.6 4.2 -7.3 3.3 76 76 A T E -CD 26 90A 6 -50,-1.0 -50,-2.9 14,-0.2 2,-0.8 -0.940 19.0-165.8-133.9 101.3 3.6 -4.0 5.2 77 77 A I E -CD 25 89A 3 12,-2.8 12,-2.8 -2,-0.4 2,-0.3 -0.865 7.0-164.2 -97.1 100.5 0.6 -2.4 3.6 78 78 A M E -CD 24 88A 12 -54,-2.5 -54,-2.1 -2,-0.8 2,-0.4 -0.663 5.1-147.7 -88.3 148.1 0.3 1.2 4.8 79 79 A V E -CD 23 87A 2 8,-3.1 7,-3.0 -2,-0.3 8,-0.8 -0.924 11.9-172.9-114.5 139.4 -2.9 3.3 4.3 80 80 A F E -CD 22 85A 0 -58,-2.9 -58,-2.6 -2,-0.4 5,-0.2 -0.949 13.2-165.5-129.2 144.6 -3.0 7.0 3.7 81 81 A K S S- 0 0 115 3,-1.5 4,-0.1 -2,-0.3 2,-0.1 0.683 85.2 -13.5-101.4 -27.0 -6.3 9.1 3.7 82 82 A G S S- 0 0 25 2,-1.0 2,-2.6 -60,-0.1 -63,-0.2 -0.449 122.1 -47.6-178.7 88.0 -4.8 12.2 2.1 83 83 A G S S+ 0 0 2 -63,-0.5 -65,-0.1 -68,-0.3 -66,-0.1 -0.357 121.6 78.1 75.9 -63.2 -1.0 12.5 1.9 84 84 A K S S- 0 0 139 -2,-2.6 -3,-1.5 -66,-0.1 -2,-1.0 -0.388 89.6-100.8 -79.9 154.6 -0.6 11.5 5.6 85 85 A K E +D 80 0A 87 -5,-0.2 -5,-0.3 1,-0.1 -1,-0.1 -0.268 34.4 174.2 -71.3 158.0 -0.7 8.0 6.9 86 86 A C E - 0 0 54 -7,-3.0 2,-0.2 1,-0.5 -6,-0.2 0.576 60.9 -12.0-127.0 -58.2 -3.8 6.5 8.6 87 87 A E E -D 79 0A 75 -8,-0.8 -8,-3.1 2,-0.0 -1,-0.5 -0.801 52.1-145.6-141.8 177.7 -3.3 2.8 9.3 88 88 A T E -D 78 0A 48 -10,-0.3 2,-0.3 -2,-0.2 -10,-0.3 -0.941 2.7-159.4-156.4 132.7 -1.0 -0.2 8.4 89 89 A I E -D 77 0A 23 -12,-2.8 -12,-2.8 -2,-0.3 2,-0.4 -0.875 14.5-160.1-109.5 144.3 -1.6 -3.9 7.9 90 90 A I E +D 76 0A 116 -2,-0.3 -14,-0.2 -14,-0.2 -16,-0.1 -0.978 47.1 7.7-130.2 142.6 1.3 -6.4 8.1 91 91 A G S S- 0 0 26 -16,-2.9 -14,-0.1 -2,-0.4 -2,-0.0 -0.050 99.7 -38.0 80.7 173.6 1.7 -10.0 6.8 92 92 A A - 0 0 66 -18,-0.1 -2,-0.1 -3,-0.0 -58,-0.1 -0.323 61.4-176.5 -66.3 156.1 -0.6 -12.0 4.5 93 93 A V - 0 0 31 -4,-0.1 2,-0.3 -2,-0.0 -2,-0.0 -0.975 31.4-102.9-149.7 156.7 -4.4 -11.7 4.9 94 94 A P >> - 0 0 83 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.692 37.0-120.4 -83.0 139.3 -7.6 -13.2 3.4 95 95 A K H 3> S+ 0 0 65 -2,-0.3 4,-3.2 1,-0.3 5,-0.2 0.823 110.7 59.1 -48.6 -45.3 -9.2 -10.8 0.8 96 96 A A H 3> S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.911 108.6 45.3 -52.8 -45.7 -12.5 -10.6 2.8 97 97 A T H <> S+ 0 0 68 -3,-1.0 4,-3.1 2,-0.2 -1,-0.2 0.931 112.5 50.7 -65.2 -46.0 -10.6 -9.2 5.8 98 98 A I H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.952 111.3 49.1 -56.2 -52.4 -8.6 -6.8 3.6 99 99 A V H X S+ 0 0 24 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.946 114.8 43.5 -48.9 -58.5 -11.9 -5.6 2.0 100 100 A Q H X S+ 0 0 104 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.918 112.8 52.5 -58.1 -47.5 -13.5 -5.0 5.4 101 101 A T H X S+ 0 0 24 -4,-3.1 4,-0.7 2,-0.2 -1,-0.2 0.881 112.5 45.5 -56.1 -43.4 -10.3 -3.5 6.8 102 102 A V H >X S+ 0 0 2 -4,-2.8 4,-2.9 -5,-0.2 3,-1.6 0.972 111.4 53.0 -63.9 -52.0 -10.2 -1.0 3.9 103 103 A E H 3< S+ 0 0 73 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.880 103.0 55.5 -52.6 -47.3 -14.0 -0.2 4.2 104 104 A K H 3< S+ 0 0 136 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.753 116.1 39.6 -60.7 -23.8 -13.9 0.7 7.9 105 105 A Y H << S+ 0 0 76 -3,-1.6 -2,-0.2 -4,-0.7 -1,-0.2 0.851 138.5 10.8 -90.1 -44.8 -11.2 3.3 7.0 106 106 A L < 0 0 43 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.1 0.763 360.0 360.0 -92.1 -97.1 -12.7 4.5 3.7 107 107 A N 0 0 154 0, 0.0 -4,-0.2 0, 0.0 -3,-0.1 0.114 360.0 360.0-166.7 360.0 -16.3 3.2 3.2