==== 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 13-NOV-03 1RGV . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUERA AROMATICA; . AUTHOR M.UNCIULEAC,M.BOLL,E.WARKENTIN,U.ERMLER . 80 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 43.8 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 . 5 6.2 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 . 0 0.0 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 . 3 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 0 0 0 0 0 1 0 0 0 0 0 0 0 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 1 0, 0.0 60,-2.7 0, 0.0 63,-0.3 0.000 360.0 360.0 360.0 170.0 -11.0 43.8 45.3 2 2 A L B -A 60 0A 3 58,-0.3 2,-0.3 31,-0.1 58,-0.2 -0.550 360.0-165.1-107.5 175.1 -9.4 41.7 42.6 3 3 A Y - 0 0 91 56,-1.8 2,-0.5 -2,-0.2 28,-0.1 -0.962 23.8 -99.9-154.7 164.8 -6.4 42.4 40.3 4 4 A I - 0 0 14 -2,-0.3 54,-0.2 54,-0.2 28,-0.1 -0.825 27.9-136.4-104.4 131.1 -4.9 41.0 37.1 5 5 A N - 0 0 47 52,-3.1 3,-0.4 -2,-0.5 25,-0.1 0.148 28.7-108.7 -60.9-176.3 -2.0 38.7 36.9 6 6 A D S S+ 0 0 122 1,-0.2 -1,-0.1 23,-0.1 51,-0.0 0.393 111.6 78.5 -97.7 -1.5 0.9 38.9 34.4 7 7 A D + 0 0 107 50,-0.1 -1,-0.2 48,-0.1 50,-0.1 0.442 65.3 130.8 -83.9 -0.1 -0.6 35.9 32.7 8 8 A C - 0 0 21 -3,-0.4 -4,-0.0 1,-0.2 45,-0.0 -0.270 45.6-162.9 -53.9 137.8 -3.1 38.3 31.2 9 9 A T - 0 0 105 20,-0.0 -1,-0.2 0, 0.0 20,-0.1 0.442 33.2-125.0-102.6 -4.7 -3.3 37.7 27.4 10 10 A A + 0 0 37 1,-0.1 -2,-0.1 20,-0.0 19,-0.1 0.886 57.8 150.2 61.7 40.8 -5.0 41.1 26.8 11 11 A C - 0 0 71 1,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.571 49.0-140.5 -78.5 -9.4 -7.9 39.4 24.9 12 12 A D > + 0 0 73 1,-0.1 3,-1.1 3,-0.0 4,-0.5 0.384 62.7 129.7 67.0 -3.7 -10.2 42.2 26.2 13 13 A A T 3 + 0 0 37 1,-0.2 4,-0.4 2,-0.1 -1,-0.1 0.607 64.6 57.4 -57.2 -13.0 -12.9 39.7 26.8 14 14 A C T 3> S+ 0 0 17 2,-0.1 4,-1.3 1,-0.1 -1,-0.2 0.762 81.0 79.2 -93.8 -26.6 -13.5 41.0 30.3 15 15 A V T <4 S+ 0 0 51 -3,-1.1 3,-0.4 1,-0.2 6,-0.2 0.875 93.4 51.8 -49.3 -46.2 -14.3 44.7 29.8 16 16 A E T 4 S+ 0 0 158 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.922 105.2 56.7 -57.3 -48.3 -17.9 44.1 28.8 17 17 A E T 4 S+ 0 0 56 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.813 83.3 97.8 -55.4 -35.7 -18.6 41.9 31.9 18 18 A C >< - 0 0 24 -4,-1.3 3,-0.7 -3,-0.4 5,-0.1 -0.426 52.1-168.5 -67.4 118.0 -17.6 44.6 34.4 19 19 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.476 88.9 45.5 -79.6 -6.4 -20.6 46.5 35.8 20 20 A N T 3 S- 0 0 10 59,-0.0 -2,-0.1 0, 0.0 17,-0.0 0.247 104.8-121.6-120.7 9.3 -18.4 49.2 37.3 21 21 A E < + 0 0 163 -3,-0.7 16,-0.1 -6,-0.2 -6,-0.1 0.905 62.4 147.0 49.1 45.9 -16.0 49.9 34.4 22 22 A A + 0 0 4 14,-0.2 11,-2.3 -7,-0.1 2,-0.5 0.497 42.2 83.4 -90.0 -5.3 -13.2 48.9 36.7 23 23 A I E -B 32 0B 14 9,-0.2 9,-0.2 -8,-0.2 -5,-0.0 -0.881 57.5-168.0-107.3 128.9 -11.0 47.4 34.0 24 24 A T E -B 31 0B 79 7,-2.8 7,-2.2 -2,-0.5 2,-0.1 -0.944 27.5-116.5-114.0 128.4 -8.8 49.5 31.8 25 25 A P + 0 0 74 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.408 46.9 165.6 -63.2 132.3 -7.1 48.0 28.7 26 26 A G - 0 0 33 -2,-0.1 4,-0.2 2,-0.1 0, 0.0 -0.534 31.2 -85.4-130.9-162.1 -3.3 48.0 29.0 27 27 A D S S- 0 0 153 2,-0.4 3,-0.0 -2,-0.2 -17,-0.0 -0.822 106.5 -1.7-165.9 120.9 -0.2 46.6 27.4 28 28 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.964 142.0 9.7 -70.5 -25.0 1.1 44.0 28.0 29 29 A I S S- 0 0 39 -4,-0.1 -2,-0.4 -20,-0.1 2,-0.2 -0.764 74.4-107.0-120.6 166.1 -1.7 43.4 30.6 30 30 A Y - 0 0 20 -2,-0.3 2,-0.4 -4,-0.2 -26,-0.2 -0.525 30.0-140.4 -86.5 154.6 -5.0 44.9 31.8 31 31 A V E -B 24 0B 90 -7,-2.2 -7,-2.8 -2,-0.2 2,-0.4 -0.949 3.2-149.5-123.2 137.0 -5.4 46.9 35.0 32 32 A I E -B 23 0B 17 -2,-0.4 -9,-0.2 -9,-0.2 -28,-0.1 -0.832 17.5-132.4-102.6 138.1 -8.2 46.9 37.6 33 33 A D >> - 0 0 53 -11,-2.3 3,-1.9 -2,-0.4 4,-1.7 -0.791 10.1-156.3 -89.3 106.5 -8.9 50.0 39.7 34 34 A P T 34 S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 -12,-0.0 0.770 93.4 64.1 -53.3 -22.4 -9.2 48.7 43.2 35 35 A T T 34 S+ 0 0 83 1,-0.2 -13,-0.0 -13,-0.1 -2,-0.0 0.818 110.9 32.7 -69.8 -33.6 -11.3 51.8 43.8 36 36 A K T <4 S+ 0 0 75 -3,-1.9 2,-0.8 -14,-0.2 -1,-0.2 0.575 94.2 98.7-101.8 -12.8 -14.0 50.7 41.4 37 37 A C < + 0 0 15 -4,-1.7 37,-0.1 -15,-0.2 38,-0.1 -0.687 34.4 167.3 -84.3 111.6 -13.9 46.9 41.9 38 38 A S > - 0 0 1 -2,-0.8 3,-1.8 3,-0.1 -1,-0.2 0.186 59.7-110.2-102.6 12.9 -16.6 45.8 44.2 39 39 A E T 3 - 0 0 53 1,-0.3 3,-0.1 3,-0.1 -2,-0.1 0.783 67.1 -69.9 61.2 27.6 -16.1 42.2 43.3 40 40 A C T >> S+ 0 0 11 1,-0.3 4,-3.5 7,-0.1 3,-1.9 0.383 94.3 146.5 71.9 -2.2 -19.4 42.4 41.5 41 41 A V T <4 + 0 0 29 -3,-1.8 -1,-0.3 1,-0.3 4,-0.1 -0.365 67.1 32.6 -62.5 146.3 -21.3 42.6 44.9 42 42 A G T 34 S+ 0 0 31 2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.451 129.1 45.2 83.6 -1.0 -24.3 44.8 44.5 43 43 A A T <4 S- 0 0 38 -3,-1.9 2,-0.3 1,-0.5 -2,-0.2 0.539 118.1 -1.8-136.7 -50.6 -24.5 43.5 41.0 44 44 A F < - 0 0 95 -4,-3.5 -1,-0.5 1,-0.0 -2,-0.2 -0.856 58.1-114.8-141.6 177.5 -24.0 39.7 40.8 45 45 A D S S+ 0 0 161 -2,-0.3 -4,-0.1 1,-0.2 -1,-0.0 0.659 101.5 30.4 -88.8 -19.8 -23.3 36.6 42.8 46 46 A E S S- 0 0 84 -6,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.990 98.2 -91.8-139.8 145.5 -20.0 36.0 41.2 47 47 A P > - 0 0 26 0, 0.0 4,-0.8 0, 0.0 3,-0.4 -0.418 35.8-152.2 -59.4 120.0 -17.3 38.3 39.7 48 48 A Q H > S+ 0 0 19 -2,-0.3 4,-0.5 1,-0.2 3,-0.2 0.784 85.1 66.0 -66.1 -32.4 -18.3 38.4 36.0 49 49 A C H >> S+ 0 0 14 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.886 98.4 54.2 -61.1 -37.8 -14.8 39.1 34.6 50 50 A R H >4 S+ 0 0 97 -3,-0.4 3,-1.0 1,-0.2 -1,-0.2 0.879 95.3 67.8 -63.5 -37.9 -13.6 35.7 35.7 51 51 A L H 3< S+ 0 0 110 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.701 112.7 31.2 -56.3 -21.8 -16.4 33.9 33.8 52 52 A V H << S+ 0 0 49 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.415 91.7 112.4-115.9 -1.7 -14.9 35.0 30.5 53 53 A C << - 0 0 27 -3,-1.0 3,-0.3 -4,-0.7 5,-0.1 -0.639 40.3-175.4 -80.3 117.8 -11.3 35.0 31.4 54 54 A P S S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.821 82.1 55.9 -77.9 -33.9 -9.3 32.3 29.6 55 55 A A S S- 0 0 29 -50,-0.0 -2,-0.1 2,-0.0 -48,-0.1 0.562 97.3-136.1 -77.3 -8.0 -5.9 33.0 31.3 56 56 A D + 0 0 140 -3,-0.3 -6,-0.1 -6,-0.2 -48,-0.1 0.967 57.2 140.7 49.7 58.6 -7.5 32.5 34.7 57 57 A C + 0 0 6 1,-0.1 -52,-3.1 -52,-0.1 -49,-0.2 -0.092 26.4 97.6-125.8 37.5 -5.5 35.6 35.9 58 58 A I + 0 0 9 -54,-0.2 -54,-0.2 -5,-0.1 -1,-0.1 -0.558 49.5 167.5-125.5 67.5 -7.9 37.6 38.2 59 59 A P - 0 0 41 0, 0.0 -56,-1.8 0, 0.0 2,-0.3 -0.126 45.7 -82.9 -73.5 173.2 -6.9 36.6 41.8 60 60 A D B -A 2 0A 102 -58,-0.2 -58,-0.3 1,-0.1 5,-0.1 -0.616 43.6-121.9 -78.1 136.1 -8.0 38.3 45.0 61 61 A N > - 0 0 22 -60,-2.7 3,-3.0 -2,-0.3 -1,-0.1 -0.689 16.7-160.8 -83.3 104.3 -5.9 41.3 45.8 62 62 A P G > S+ 0 0 69 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.712 90.8 66.5 -56.0 -19.0 -4.3 40.7 49.2 63 63 A D G 3 S+ 0 0 129 1,-0.3 2,-0.1 -62,-0.1 -2,-0.1 0.625 109.4 38.0 -76.1 -14.3 -3.7 44.5 49.4 64 64 A Y G < + 0 0 101 -3,-3.0 2,-1.6 -63,-0.3 -3,-0.3 -0.554 63.5 164.2-138.5 73.3 -7.5 44.9 49.5 65 65 A R < + 0 0 211 -3,-0.5 2,-0.0 -2,-0.1 -63,-0.0 -0.599 27.3 175.4 -90.0 76.4 -9.3 42.2 51.6 66 66 A E - 0 0 47 -2,-1.6 2,-0.2 1,-0.1 -2,-0.1 -0.263 27.1-117.1 -80.1 166.6 -12.6 44.1 51.8 67 67 A T > - 0 0 62 1,-0.1 4,-3.6 -2,-0.0 5,-0.2 -0.661 25.8-111.7-101.4 159.5 -15.8 42.9 53.4 68 68 A R H > S+ 0 0 212 -2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.862 121.3 53.8 -57.6 -35.1 -19.1 42.4 51.6 69 69 A E H > S+ 0 0 143 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.968 112.2 42.5 -63.0 -52.1 -20.4 45.4 53.6 70 70 A E H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.939 116.9 48.1 -57.8 -49.8 -17.5 47.6 52.4 71 71 A L H X S+ 0 0 5 -4,-3.6 4,-2.3 1,-0.2 -2,-0.2 0.921 110.4 50.9 -58.0 -46.9 -17.9 46.2 48.9 72 72 A Q H X S+ 0 0 81 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.907 111.5 49.1 -57.5 -42.9 -21.6 46.8 48.8 73 73 A E H X S+ 0 0 119 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.859 108.5 52.4 -65.4 -37.3 -21.0 50.3 50.0 74 74 A K H X S+ 0 0 10 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.887 104.8 57.9 -65.9 -38.7 -18.4 50.9 47.3 75 75 A Y H >X S+ 0 0 49 -4,-2.3 4,-1.1 1,-0.2 3,-0.9 0.923 107.2 46.0 -56.3 -49.8 -20.9 49.7 44.7 76 76 A D H >< S+ 0 0 57 -4,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.930 102.3 62.0 -61.4 -49.7 -23.4 52.4 45.6 77 77 A R H 3< S+ 0 0 167 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.728 108.9 48.0 -50.7 -19.8 -20.9 55.2 45.6 78 78 A L H << S+ 0 0 61 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.778 131.8 4.6 -93.5 -31.0 -20.4 54.3 42.0 79 79 A H << 0 0 101 -4,-1.1 -3,-0.2 -3,-0.9 -2,-0.1 0.600 360.0 360.0-116.0 -88.3 -24.1 54.1 40.8 80 80 A G 0 0 103 -5,-0.1 -4,-0.1 0, 0.0 -5,-0.0 0.749 360.0 360.0-113.8 360.0 -26.9 55.0 43.2