==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 16-APR-96 1BLU . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALLOCHROMATIUM VINOSUM; . AUTHOR Z.DAUTER,K.S.WILSON,L.C.SIEKER,J.M.MOULIS . 80 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 46.2 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 . 8 10.0 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 1.2 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 . 12 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 17.5 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 0 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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,-2.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 154.8 26.3 19.0 2.8 2 2 A L E -A 60 0A 9 58,-0.3 2,-0.3 63,-0.1 58,-0.3 -0.629 360.0-150.8-108.4 172.0 25.9 15.3 4.0 3 3 A M E -A 59 0A 57 56,-3.4 56,-2.8 -2,-0.2 2,-0.5 -0.988 14.9-125.5-147.0 151.8 28.3 13.4 6.1 4 4 A I E -A 58 0A 16 -2,-0.3 54,-0.2 54,-0.2 28,-0.1 -0.838 33.0-145.0 -98.3 128.1 29.3 9.8 6.5 5 5 A T > - 0 0 28 52,-2.4 3,-1.4 -2,-0.5 25,-0.2 -0.232 31.6 -89.5 -83.2 175.8 28.9 8.6 10.1 6 6 A D T 3 S+ 0 0 137 1,-0.3 -1,-0.0 23,-0.1 51,-0.0 0.607 114.7 77.2 -65.8 -13.6 31.0 6.1 12.0 7 7 A E T 3 + 0 0 135 50,-0.1 -1,-0.3 48,-0.0 2,-0.2 0.363 63.5 128.7 -77.8 2.1 28.8 3.1 10.9 8 8 A C < - 0 0 20 -3,-1.4 -4,-0.0 49,-0.2 45,-0.0 -0.442 48.3-157.8 -61.7 128.1 30.4 3.1 7.4 9 9 A I - 0 0 101 -2,-0.2 -1,-0.1 20,-0.0 20,-0.1 0.226 37.0-116.6 -94.2 12.7 31.6 -0.4 6.6 10 10 A N + 0 0 64 1,-0.1 -2,-0.0 20,-0.0 15,-0.0 0.817 61.1 151.2 55.2 47.2 34.2 0.8 4.0 11 11 A C - 0 0 52 1,-0.1 -1,-0.1 19,-0.0 -3,-0.0 0.544 47.5-137.3 -83.2 -10.8 32.5 -0.9 1.1 12 12 A D > + 0 0 84 1,-0.1 3,-0.7 3,-0.0 -1,-0.1 0.197 69.2 115.7 76.5 -11.7 33.7 1.6 -1.6 13 13 A V T 3 S+ 0 0 64 1,-0.3 4,-0.4 2,-0.2 40,-0.1 0.805 71.0 50.0 -63.1 -33.5 30.3 1.8 -3.4 14 14 A C T > S+ 0 0 12 1,-0.2 3,-1.2 2,-0.1 4,-0.4 0.833 94.8 76.6 -76.4 -26.3 29.4 5.4 -2.7 15 15 A E G X S+ 0 0 93 -3,-0.7 3,-1.1 1,-0.3 8,-0.3 0.850 96.1 41.6 -50.5 -56.2 32.8 6.7 -4.0 16 16 A P G 3 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.589 106.7 67.4 -66.6 -16.0 32.3 6.4 -7.7 17 17 A E G < S+ 0 0 80 -3,-1.2 -2,-0.2 -4,-0.4 31,-0.2 0.523 73.5 100.5 -83.8 -14.0 28.7 7.7 -7.5 18 18 A C X - 0 0 27 -3,-1.1 3,-1.2 -4,-0.4 5,-0.1 -0.735 59.2-154.6 -82.0 125.1 29.5 11.3 -6.5 19 19 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 0.740 93.5 42.5 -63.4 -30.1 29.3 13.8 -9.3 20 20 A N T 3 S- 0 0 19 16,-0.1 -2,-0.0 59,-0.0 17,-0.0 0.318 107.8-114.6-102.9 10.6 31.7 16.2 -7.6 21 21 A G < + 0 0 54 -3,-1.2 16,-0.1 -6,-0.1 15,-0.1 0.802 68.5 143.4 61.6 29.0 34.4 13.8 -6.3 22 22 A A + 0 0 2 14,-0.3 11,-2.7 10,-0.1 2,-0.4 0.734 46.6 76.4 -73.3 -25.2 33.3 14.8 -2.8 23 23 A I E +B 32 0B 8 -8,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.728 56.0 163.4 -97.7 133.1 33.8 11.3 -1.3 24 24 A S E -B 31 0B 61 7,-2.3 7,-2.6 -2,-0.4 2,-0.3 -0.938 42.0 -90.3-140.8 161.2 37.2 9.9 -0.5 25 25 A Q E -B 30 0B 106 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.564 43.5-163.5 -75.0 139.5 38.6 7.1 1.6 26 26 A G - 0 0 18 3,-1.5 4,-0.1 -2,-0.3 -1,-0.1 -0.436 33.2-100.5-110.6-172.3 39.5 7.9 5.2 27 27 A D S S+ 0 0 169 -2,-0.2 -1,-0.1 1,-0.0 3,-0.0 0.989 119.1 4.8 -74.1 -57.8 41.6 6.3 7.9 28 28 A E S S+ 0 0 163 -3,-0.1 2,-0.2 1,-0.0 -1,-0.0 0.932 138.0 4.3 -93.8 -45.0 38.6 4.8 9.7 29 29 A T S S- 0 0 26 -25,-0.1 -3,-1.5 -20,-0.1 2,-0.3 -0.585 82.3 -85.5-125.1-173.9 35.7 5.6 7.4 30 30 A Y E -B 25 0B 4 -5,-0.2 2,-0.4 -25,-0.2 -5,-0.2 -0.726 48.0-152.9 -85.7 154.4 34.8 7.2 4.0 31 31 A V E -B 24 0B 68 -7,-2.6 -7,-2.3 -2,-0.3 2,-0.4 -0.979 11.8-139.7-130.8 146.4 34.5 11.0 4.3 32 32 A I E -B 23 0B 19 -2,-0.4 -9,-0.2 -9,-0.2 -28,-0.1 -0.874 18.2-136.4 -98.1 136.8 32.6 13.5 2.3 33 33 A E > - 0 0 91 -11,-2.7 3,-1.7 -2,-0.4 4,-0.3 -0.828 17.3-151.6 -91.0 110.0 34.5 16.9 1.6 34 34 A P G > S+ 0 0 30 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.776 89.3 63.0 -61.1 -27.3 31.7 19.4 2.4 35 35 A S G 3 S+ 0 0 70 1,-0.3 -13,-0.0 -13,-0.1 -2,-0.0 0.764 110.0 43.0 -73.2 -18.1 32.9 22.1 0.1 36 36 A L G < S+ 0 0 56 -3,-1.7 2,-0.7 -14,-0.1 -14,-0.3 0.327 92.8 93.1-101.4 -2.1 32.3 19.6 -2.8 37 37 A C < + 0 0 11 -3,-0.9 37,-0.1 -4,-0.3 38,-0.0 -0.893 36.3 168.1-102.1 118.0 29.0 18.2 -1.7 38 38 A T > - 0 0 1 -2,-0.7 3,-1.9 -37,-0.1 -1,-0.1 0.170 62.3-107.4-105.4 6.1 26.0 20.0 -3.2 39 39 A E T 3 - 0 0 29 1,-0.3 3,-0.1 32,-0.1 -2,-0.1 0.717 69.4 -70.4 67.3 22.8 23.7 17.2 -2.0 40 40 A C T >> S+ 0 0 10 1,-0.3 4,-2.4 7,-0.1 3,-1.8 0.493 89.4 157.1 74.0 11.4 23.6 16.4 -5.6 41 41 A V T <4 + 0 0 17 -3,-1.9 -1,-0.3 1,-0.2 4,-0.1 -0.423 66.0 27.3 -67.1 130.1 21.6 19.5 -6.4 42 42 A G T 34 S+ 0 0 25 2,-0.4 -1,-0.2 -2,-0.2 3,-0.1 0.031 126.4 45.4 110.4 -26.4 22.1 20.3 -10.1 43 43 A H T <4 S+ 0 0 73 -3,-1.8 2,-0.3 1,-0.4 -2,-0.2 0.756 116.7 13.9-111.1 -52.7 22.9 16.8 -11.2 44 44 A Y < - 0 0 119 -4,-2.4 -2,-0.4 1,-0.1 -1,-0.4 -0.830 63.1-123.7-127.3 167.1 20.3 14.5 -9.7 45 45 A E S S+ 0 0 183 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.1 0.619 98.4 23.9 -81.9 -17.5 16.9 14.7 -7.9 46 46 A T S S- 0 0 49 -6,-0.1 2,-0.3 -5,-0.0 -1,-0.1 -0.960 100.1 -78.5-143.5 159.5 18.3 12.8 -4.9 47 47 A S > - 0 0 19 -2,-0.3 4,-1.7 1,-0.1 -7,-0.1 -0.510 33.1-157.0 -66.2 125.0 21.7 12.1 -3.2 48 48 A Q H > S+ 0 0 29 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.869 90.7 53.4 -70.5 -41.2 23.5 9.4 -5.1 49 49 A C H > S+ 0 0 11 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.881 110.0 49.6 -58.5 -43.5 25.7 8.3 -2.3 50 50 A V H 4 S+ 0 0 56 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.922 105.9 58.5 -61.5 -42.1 22.6 7.8 0.0 51 51 A E H < S+ 0 0 119 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.883 115.0 33.2 -58.1 -42.1 20.9 5.8 -2.7 52 52 A V H < S+ 0 0 52 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.502 84.0 117.4 -95.9 -4.9 23.7 3.2 -2.8 53 53 A C >< - 0 0 16 -4,-1.1 3,-0.7 -3,-0.5 5,-0.1 -0.537 51.8-155.2 -67.3 122.2 24.8 3.0 0.8 54 54 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.591 89.3 36.6 -73.1 -14.7 24.1 -0.5 2.0 55 55 A V T 3 S- 0 0 54 0, 0.0 -2,-0.1 0, 0.0 -48,-0.0 0.123 103.7-118.3-125.6 18.7 23.9 0.5 5.7 56 56 A D < + 0 0 137 -3,-0.7 -6,-0.1 -6,-0.2 -48,-0.1 0.862 63.8 139.8 43.5 57.8 22.2 3.9 5.6 57 57 A C + 0 0 4 -52,-0.1 -52,-2.4 -50,-0.1 2,-0.5 0.070 35.3 94.3-111.7 21.5 25.1 6.0 7.2 58 58 A I E +A 4 0A 13 -54,-0.2 2,-0.3 -8,-0.1 -54,-0.2 -0.968 51.7 156.9-113.2 126.2 25.1 9.2 5.2 59 59 A I E -A 3 0A 84 -56,-2.8 -56,-3.4 -2,-0.5 2,-0.1 -0.861 49.1 -65.3-137.5-179.6 23.1 11.9 6.8 60 60 A K E -A 2 0A 139 -2,-0.3 -58,-0.3 -58,-0.3 5,-0.1 -0.398 48.0-126.7 -67.4 145.0 22.8 15.6 6.8 61 61 A D > - 0 0 24 -60,-2.0 3,-1.8 3,-0.3 -1,-0.1 -0.867 14.8-157.1 -96.0 108.9 25.9 17.3 8.3 62 62 A P T 3 S+ 0 0 95 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.771 91.5 58.4 -62.4 -28.3 24.6 19.5 11.1 63 63 A S T 3 S+ 0 0 91 1,-0.3 2,-0.0 -3,-0.1 -2,-0.0 0.414 109.8 46.3 -81.6 -0.6 27.7 21.7 10.9 64 64 A H S < S+ 0 0 73 -3,-1.8 2,-0.6 -63,-0.2 -3,-0.3 -0.449 70.4 168.1-141.2 70.3 27.0 22.4 7.2 65 65 A E + 0 0 174 -3,-0.4 2,-0.3 -5,-0.1 -63,-0.1 -0.757 12.6 171.5 -90.9 116.5 23.3 23.3 6.8 66 66 A E - 0 0 42 -2,-0.6 2,-0.2 -65,-0.1 -2,-0.1 -0.957 26.3-126.1-127.4 146.6 22.8 24.7 3.3 67 67 A T >> - 0 0 79 -2,-0.3 4,-2.5 1,-0.1 3,-0.8 -0.538 35.7 -99.9 -87.4 166.0 19.6 25.5 1.5 68 68 A E H 3> S+ 0 0 155 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.827 127.9 53.3 -51.3 -31.2 18.5 24.3 -2.0 69 69 A D H 3> S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.845 106.9 46.0 -75.8 -36.0 19.8 27.7 -3.1 70 70 A E H <> S+ 0 0 108 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.821 114.1 50.5 -76.9 -26.0 23.3 27.4 -1.5 71 71 A L H X S+ 0 0 4 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.928 111.2 48.5 -70.3 -43.0 23.6 23.9 -2.9 72 72 A R H X S+ 0 0 114 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.967 113.0 48.2 -57.6 -51.7 22.6 25.2 -6.4 73 73 A A H X S+ 0 0 46 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.864 112.2 48.0 -59.0 -43.1 25.1 28.0 -5.9 74 74 A K H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.899 109.3 53.9 -63.9 -41.8 27.8 25.5 -4.9 75 75 A Y H X S+ 0 0 53 -4,-3.2 4,-2.4 1,-0.2 5,-0.4 0.933 109.2 50.8 -57.4 -44.7 26.9 23.3 -7.9 76 76 A E H X S+ 0 0 99 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.891 110.4 46.1 -62.4 -43.9 27.4 26.4 -10.0 77 77 A R H < S+ 0 0 183 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.900 115.0 48.6 -70.9 -35.7 30.9 27.2 -8.6 78 78 A I H < S+ 0 0 56 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.895 132.0 10.2 -69.2 -39.8 32.0 23.6 -8.9 79 79 A T H < 0 0 69 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.892 360.0 360.0-105.9 -49.7 30.9 23.1 -12.5 80 80 A G < 0 0 93 -4,-1.1 -4,-0.1 -5,-0.4 -2,-0.0 -0.448 360.0 360.0 131.4 360.0 29.8 26.3 -14.4