==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-OCT-08 3EXY . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALLOCHROMATIUM VINOSUM; . AUTHOR P.GIASTAS,E.SARIDAKIS,I.M.MAVRIDIS . 81 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 48.1 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 9.9 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 19.8 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 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 0 0, 0.0 60,-2.7 0, 0.0 63,-0.2 0.000 360.0 360.0 360.0 155.0 25.9 18.9 2.8 2 2 A L E -A 60 0A 9 58,-0.3 2,-0.3 31,-0.1 58,-0.2 -0.524 360.0-154.0 -92.8 165.5 25.7 15.3 4.0 3 3 A M E -A 59 0A 58 56,-2.6 56,-2.2 -2,-0.2 2,-0.5 -0.967 15.1-126.5-133.9 155.0 28.2 13.4 6.2 4 4 A I E -A 58 0A 19 -2,-0.3 54,-0.2 54,-0.2 28,-0.1 -0.889 30.6-142.3-100.4 126.5 29.1 9.8 6.6 5 5 A T > - 0 0 31 52,-2.9 3,-1.9 -2,-0.5 25,-0.1 -0.295 30.1 -95.1 -85.0 173.0 28.8 8.5 10.2 6 6 A D T 3 S+ 0 0 150 1,-0.3 -1,-0.1 23,-0.1 51,-0.0 0.564 115.1 77.0 -57.6 -12.2 31.0 6.0 12.1 7 7 A E T 3 + 0 0 139 50,-0.2 -1,-0.3 49,-0.0 50,-0.1 0.574 64.9 124.5 -80.0 -6.7 28.7 3.2 11.0 8 8 A C < - 0 0 21 -3,-1.9 -4,-0.0 49,-0.2 45,-0.0 -0.293 50.9-157.4 -52.4 136.2 30.2 3.2 7.5 9 9 A I - 0 0 103 20,-0.0 -1,-0.1 0, 0.0 20,-0.1 0.176 36.4-116.8-103.4 11.3 31.5 -0.3 6.7 10 10 A N + 0 0 54 1,-0.1 -2,-0.1 20,-0.1 19,-0.0 0.896 59.1 155.0 57.8 43.4 34.0 0.9 4.1 11 11 A C - 0 0 58 1,-0.1 -1,-0.1 19,-0.0 -3,-0.0 0.610 47.5-135.6 -81.3 -9.4 32.2 -0.9 1.3 12 12 A D + 0 0 92 1,-0.1 3,-0.1 12,-0.0 -1,-0.1 0.464 69.7 118.1 73.8 3.2 33.6 1.5 -1.4 13 13 A G + 0 0 28 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.801 66.1 50.8 -79.9 -24.2 30.2 1.8 -3.1 14 14 A C S >> S+ 0 0 14 1,-0.2 3,-1.2 2,-0.1 4,-0.7 0.804 91.0 75.3 -85.2 -28.1 29.4 5.5 -2.7 15 15 A E G >4 S+ 0 0 90 1,-0.3 3,-1.1 2,-0.2 8,-0.3 0.887 98.2 43.9 -53.7 -48.2 32.7 7.0 -4.0 16 16 A P G 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.642 107.4 63.4 -75.2 -10.9 32.0 6.4 -7.7 17 17 A E G <4 S+ 0 0 74 -3,-1.2 -2,-0.2 -4,-0.3 31,-0.2 0.593 77.4 99.1 -84.8 -12.7 28.4 7.6 -7.3 18 18 A C X< - 0 0 25 -3,-1.1 3,-1.1 -4,-0.7 5,-0.1 -0.662 57.7-160.5 -81.9 117.6 29.3 11.2 -6.4 19 19 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.684 92.6 45.4 -67.3 -17.2 29.0 13.6 -9.4 20 20 A N T 3 S- 0 0 18 16,-0.1 -2,-0.1 -3,-0.0 -3,-0.0 0.334 107.8-117.9-109.4 3.1 31.3 16.1 -7.6 21 21 A G < + 0 0 55 -3,-1.1 16,-0.1 -6,-0.2 -6,-0.1 0.800 66.2 142.9 68.8 26.7 34.0 13.8 -6.3 22 22 A A + 0 0 3 14,-0.3 11,-3.2 10,-0.1 2,-0.5 0.551 46.6 78.2 -80.4 -8.0 33.1 14.7 -2.7 23 23 A I E +B 32 0B 8 -8,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.877 51.7 154.8-110.2 132.7 33.7 11.3 -1.3 24 24 A S E -B 31 0B 59 7,-2.0 7,-2.8 -2,-0.5 2,-0.3 -0.941 48.3 -82.8-145.0 169.9 37.1 9.7 -0.5 25 25 A Q E -B 30 0B 88 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.587 47.4-167.7 -78.2 134.0 38.5 7.1 1.8 26 26 A G - 0 0 21 3,-1.6 5,-0.1 -2,-0.3 4,-0.0 -0.386 38.2 -83.9-109.3-170.6 39.2 8.3 5.4 27 27 A D S S- 0 0 163 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.828 121.7 -1.4 -68.1 -44.2 41.1 6.9 8.4 28 28 A E S S+ 0 0 143 1,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.558 138.1 12.4-124.7 -19.3 38.4 4.7 9.7 29 29 A T S S- 0 0 19 -20,-0.1 -3,-1.6 -25,-0.0 -1,-0.3 -0.922 85.8 -82.4-143.9 174.4 35.6 5.5 7.2 30 30 A Y E -B 25 0B 14 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.2 -0.395 50.8-151.4 -67.2 158.4 34.8 7.1 3.9 31 31 A V E -B 24 0B 59 -7,-2.8 -7,-2.0 -2,-0.1 2,-0.5 -0.997 11.9-134.8-141.1 145.1 34.3 10.9 4.2 32 32 A I E -B 23 0B 20 -2,-0.4 -9,-0.2 -9,-0.2 -28,-0.1 -0.859 14.2-141.4 -94.7 130.2 32.4 13.6 2.5 33 33 A E >> - 0 0 91 -11,-3.2 3,-2.1 -2,-0.5 4,-0.7 -0.813 16.3-153.5 -79.6 106.0 34.2 16.9 1.7 34 34 A P G >4 S+ 0 0 28 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.832 87.9 65.6 -63.0 -26.8 31.3 19.3 2.5 35 35 A S G 34 S+ 0 0 68 1,-0.3 -13,-0.0 -3,-0.1 -2,-0.0 0.701 110.1 38.9 -66.9 -13.7 32.6 22.0 0.1 36 36 A L G <4 S+ 0 0 54 -3,-2.1 2,-0.9 -14,-0.1 -14,-0.3 0.453 92.8 100.2-108.3 -3.6 31.9 19.5 -2.8 37 37 A C << + 0 0 10 -3,-1.0 37,-0.1 -4,-0.7 38,-0.0 -0.765 33.7 165.7 -93.9 110.7 28.7 18.1 -1.5 38 38 A T > - 0 0 1 -2,-0.9 3,-2.2 -37,-0.1 -1,-0.2 0.165 61.4-111.1 -92.6 6.3 25.7 19.7 -3.2 39 39 A E T 3 - 0 0 27 1,-0.3 3,-0.1 -37,-0.1 -2,-0.1 0.805 69.5 -71.9 54.8 29.2 23.4 16.9 -1.9 40 40 A C T >> S+ 0 0 10 1,-0.3 4,-2.5 7,-0.1 3,-2.3 0.422 90.5 154.9 67.1 6.7 23.4 16.1 -5.6 41 41 A V T <4 + 0 0 16 -3,-2.2 -1,-0.3 1,-0.3 4,-0.1 -0.377 65.3 30.1 -70.5 142.3 21.3 19.1 -6.5 42 42 A G T 34 S+ 0 0 24 2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.011 128.0 44.3 100.7 -24.3 21.9 20.2 -10.0 43 43 A H T <4 S+ 0 0 73 -3,-2.3 2,-0.3 1,-0.4 -2,-0.2 0.772 119.8 10.9-112.4 -48.0 22.7 16.6 -11.1 44 44 A Y < - 0 0 118 -4,-2.5 -1,-0.4 1,-0.0 -2,-0.2 -0.953 62.1-124.4-138.6 154.5 20.1 14.3 -9.5 45 45 A E S S+ 0 0 201 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.1 0.649 98.8 25.8 -73.9 -16.3 16.7 14.7 -7.6 46 46 A T S S- 0 0 56 -6,-0.1 2,-0.1 -5,-0.0 -1,-0.1 -0.988 101.2 -79.8-146.7 157.1 18.1 12.7 -4.7 47 47 A S > - 0 0 19 -2,-0.3 4,-1.7 1,-0.2 -7,-0.1 -0.341 32.3-156.3 -59.3 123.9 21.5 12.0 -3.2 48 48 A Q H > S+ 0 0 35 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.843 91.8 54.1 -75.1 -29.4 23.3 9.2 -5.1 49 49 A C H >> S+ 0 0 12 2,-0.2 4,-1.5 1,-0.2 3,-0.7 0.919 106.8 51.3 -69.8 -39.6 25.4 8.2 -2.2 50 50 A V H 34 S+ 0 0 48 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.928 105.2 59.0 -59.3 -41.9 22.4 7.7 0.0 51 51 A E H 3< S+ 0 0 125 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.834 113.9 34.0 -61.1 -30.1 20.9 5.5 -2.7 52 52 A V H << S+ 0 0 59 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.619 85.0 115.2-100.8 -10.5 23.7 3.0 -2.7 53 53 A C >< - 0 0 18 -4,-1.5 3,-0.8 -3,-0.4 5,-0.1 -0.401 51.3-157.1 -68.5 120.8 24.8 2.9 0.9 54 54 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.662 88.9 38.1 -70.3 -15.1 24.1 -0.5 2.3 55 55 A V T 3 S- 0 0 51 0, 0.0 -2,-0.1 0, 0.0 -48,-0.0 0.235 101.6-121.8-125.2 13.9 23.9 0.6 6.0 56 56 A D < + 0 0 126 -3,-0.8 -6,-0.1 -6,-0.2 -48,-0.1 0.884 62.7 142.2 50.5 49.3 22.1 4.0 5.7 57 57 A C + 0 0 4 -52,-0.1 -52,-2.9 -50,-0.1 2,-0.6 0.118 36.7 97.2-109.0 23.1 25.0 5.8 7.4 58 58 A I E +A 4 0A 15 -54,-0.2 2,-0.3 -5,-0.1 -54,-0.2 -0.965 50.9 155.5-116.9 118.0 24.8 9.0 5.2 59 59 A I E -A 3 0A 81 -56,-2.2 -56,-2.6 -2,-0.6 2,-0.1 -0.822 49.2 -70.3-135.3 167.1 22.8 11.8 6.8 60 60 A K E -A 2 0A 132 -2,-0.3 -58,-0.3 -58,-0.2 5,-0.1 -0.416 46.1-131.9 -57.5 136.3 22.4 15.6 6.8 61 61 A D > - 0 0 26 -60,-2.7 3,-2.2 3,-0.3 -1,-0.1 -0.855 12.9-158.9 -91.2 107.9 25.4 17.2 8.4 62 62 A P G > S+ 0 0 100 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.693 90.8 59.2 -66.4 -15.5 24.0 19.7 10.9 63 63 A S G 3 S+ 0 0 87 1,-0.2 -2,-0.0 -62,-0.0 -3,-0.0 0.485 112.8 41.3 -89.6 0.1 27.3 21.8 10.9 64 64 A H G < S+ 0 0 79 -3,-2.2 2,-0.6 -63,-0.2 -3,-0.3 -0.439 76.7 165.4-133.2 60.4 26.8 22.3 7.1 65 65 A E < - 0 0 166 -3,-0.6 2,-0.4 -5,-0.1 -63,-0.1 -0.697 15.0-178.2 -80.2 122.5 23.1 22.9 6.8 66 66 A E - 0 0 45 -2,-0.6 2,-0.1 -65,-0.1 -2,-0.1 -0.949 24.0-127.4-128.8 139.4 22.4 24.3 3.3 67 67 A T > - 0 0 77 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.298 35.8-106.1 -72.4 164.1 19.3 25.6 1.5 68 68 A E H > S+ 0 0 136 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.908 123.8 51.5 -59.9 -35.2 18.5 24.2 -1.9 69 69 A D H > S+ 0 0 125 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.858 107.8 50.1 -66.7 -40.6 19.6 27.5 -3.4 70 70 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 113.0 47.3 -64.2 -38.3 22.9 27.4 -1.6 71 71 A L H X S+ 0 0 5 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.901 112.2 49.7 -69.2 -40.0 23.4 23.9 -2.9 72 72 A R H X S+ 0 0 102 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.917 110.4 49.9 -63.7 -45.0 22.4 25.0 -6.4 73 73 A A H X S+ 0 0 41 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.888 110.9 50.3 -61.2 -36.9 24.9 27.9 -6.1 74 74 A K H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.952 108.5 52.0 -64.3 -46.1 27.5 25.4 -5.0 75 75 A Y H X S+ 0 0 41 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.934 109.7 50.0 -55.9 -47.0 26.6 23.1 -8.0 76 76 A E H X S+ 0 0 91 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.924 109.7 50.5 -62.3 -38.0 27.1 26.1 -10.3 77 77 A R H < S+ 0 0 175 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.906 113.5 45.3 -63.9 -41.5 30.5 26.9 -8.8 78 78 A I H < S+ 0 0 56 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.944 124.9 29.9 -69.0 -44.3 31.8 23.4 -9.1 79 79 A T H < S- 0 0 58 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.657 102.7-139.9 -92.8 -13.2 30.6 22.7 -12.6 80 80 A G < 0 0 31 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.1 -0.291 360.0 360.0 83.0-169.0 30.8 26.3 -14.0 81 81 A E 0 0 178 -4,-0.1 -4,-0.1 -2,-0.1 -5,-0.0 -0.762 360.0 360.0 128.0 360.0 28.4 28.0 -16.3