==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 07-SEP-07 2Z8Q . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS DSM 3638; . AUTHOR M.N.JOHANNESSEN,H.E.M.CHRISTENSEN,P.HARRIS . 132 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 53.8 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 . 25 18.9 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 . 2 1.5 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-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 . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 24.2 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 2 0 0 0 0 0 0 0 2 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 2 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 . 2 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 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 53 0, 0.0 65,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 157.2 9.1 33.7 11.5 2 2 A W E -AB 40 65A 39 38,-2.8 38,-2.5 63,-0.2 2,-0.4 -0.895 360.0-158.9-118.6 148.7 6.3 32.4 9.4 3 3 A K E - B 0 64A 105 61,-2.7 61,-3.1 -2,-0.3 2,-0.3 -0.994 14.3-150.6-122.1 124.9 5.6 29.1 7.7 4 4 A V E - B 0 63A 4 -2,-0.4 2,-0.4 33,-0.3 59,-0.2 -0.717 12.3-170.6 -95.8 145.6 3.1 28.9 4.8 5 5 A S E - B 0 62A 40 57,-2.6 57,-2.2 -2,-0.3 2,-0.5 -0.991 12.8-159.0-134.6 143.1 1.1 25.7 4.0 6 6 A V E - B 0 61A 14 -2,-0.4 2,-0.7 55,-0.2 55,-0.2 -0.991 24.6-129.6-119.2 120.2 -1.1 24.8 1.1 7 7 A D >> - 0 0 74 53,-2.8 4,-2.5 -2,-0.5 3,-1.1 -0.595 16.8-158.3 -68.8 108.6 -3.6 22.0 1.8 8 8 A Q T 34 S+ 0 0 57 -2,-0.7 -1,-0.2 1,-0.2 52,-0.0 0.720 88.9 53.4 -64.6 -25.1 -3.1 19.7 -1.2 9 9 A D T 34 S+ 0 0 160 1,-0.1 -1,-0.2 51,-0.1 -2,-0.1 0.662 116.6 38.5 -81.1 -15.6 -6.5 18.1 -0.9 10 10 A T T <4 S+ 0 0 48 -3,-1.1 -2,-0.2 50,-0.1 -1,-0.1 0.737 89.6 102.1-105.1 -37.5 -8.2 21.5 -1.0 11 11 A C < - 0 0 15 -4,-2.5 -5,-0.0 49,-0.2 45,-0.0 -0.260 48.0-167.9 -55.3 131.5 -6.2 23.4 -3.6 12 12 A I - 0 0 110 20,-0.0 -1,-0.1 0, 0.0 20,-0.1 0.268 40.6-116.4-107.6 8.5 -7.8 23.6 -7.0 13 13 A G + 0 0 23 1,-0.1 19,-0.1 20,-0.1 -2,-0.1 0.801 62.8 147.7 65.6 33.1 -4.7 24.9 -8.8 14 14 A C - 0 0 62 1,-0.1 -1,-0.1 19,-0.0 18,-0.1 0.676 48.7-142.1 -72.7 -17.4 -6.2 28.3 -9.7 15 15 A A > + 0 0 36 16,-0.1 4,-2.3 1,-0.1 5,-0.2 0.528 61.1 128.7 64.5 10.2 -2.7 29.9 -9.4 16 16 A I H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.925 74.7 49.8 -55.1 -44.7 -4.0 33.1 -7.9 17 17 A C H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 8,-0.3 0.916 111.4 47.1 -63.6 -43.6 -1.5 32.8 -5.1 18 18 A A H 4 S+ 0 0 18 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.846 113.3 49.9 -63.8 -38.5 1.4 32.2 -7.5 19 19 A S H < S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.957 117.2 39.7 -61.5 -51.7 0.3 35.1 -9.6 20 20 A L H < S+ 0 0 37 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.851 133.8 19.0 -68.5 -37.6 0.1 37.4 -6.6 21 21 A a >X + 0 0 1 -4,-2.7 4,-2.2 -5,-0.2 3,-1.9 -0.616 63.8 167.3-140.2 67.8 3.2 36.2 -4.7 22 22 A P T 34 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.679 77.8 61.0 -65.7 -15.6 5.6 34.4 -7.1 23 23 A D T 34 S+ 0 0 104 1,-0.1 3,-0.1 3,-0.0 -5,-0.1 0.653 115.0 34.2 -77.1 -17.2 8.4 34.5 -4.5 24 24 A V T <4 S+ 0 0 0 -3,-1.9 12,-2.9 1,-0.2 13,-0.7 0.787 115.8 44.5-109.8 -38.2 6.2 32.5 -2.1 25 25 A F E < +C 35 0B 3 -4,-2.2 2,-0.3 -8,-0.3 -1,-0.2 -0.917 53.7 175.5-118.0 144.1 4.1 30.0 -4.1 26 26 A E E -C 34 0B 75 8,-2.6 8,-2.2 -2,-0.4 2,-0.3 -0.941 32.7-109.6-136.0 158.0 4.8 27.7 -7.0 27 27 A M E -C 33 0B 74 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.668 34.8-152.4 -86.1 142.3 2.8 25.1 -8.9 28 28 A N > - 0 0 21 4,-2.9 3,-2.2 -2,-0.3 -1,-0.0 -0.499 35.3 -85.6-105.8-175.4 3.7 21.4 -8.4 29 29 A D T 3 S+ 0 0 160 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.548 126.3 56.6 -68.1 -10.4 3.4 18.2 -10.5 30 30 A E T 3 S- 0 0 132 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.320 118.8-110.6 -96.8 3.8 -0.2 17.7 -9.3 31 31 A G S < S+ 0 0 42 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.744 81.7 119.6 70.9 23.4 -1.1 21.1 -10.6 32 32 A K - 0 0 52 -20,-0.1 -4,-2.9 -18,-0.1 -1,-0.3 -0.750 66.1-106.9-108.3 165.1 -1.6 22.5 -7.1 33 33 A A E +C 27 0B 3 -2,-0.3 -6,-0.2 -6,-0.2 -22,-0.1 -0.555 36.9 173.8 -85.1 154.6 0.2 25.3 -5.3 34 34 A Q E -C 26 0B 66 -8,-2.2 -8,-2.6 -2,-0.2 2,-0.1 -0.977 41.0 -86.7-149.9 161.6 2.8 24.8 -2.7 35 35 A P E -C 25 0B 29 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.460 25.0-159.0 -66.7 136.7 5.2 27.1 -0.8 36 36 A K S S+ 0 0 91 -12,-2.9 2,-0.3 -2,-0.1 -11,-0.2 0.533 81.4 49.7 -89.8 -7.7 8.5 27.6 -2.6 37 37 A V - 0 0 42 -13,-0.7 -33,-0.3 1,-0.1 3,-0.1 -0.962 67.7-151.7-130.4 143.7 10.1 28.6 0.7 38 38 A E S S+ 0 0 147 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.567 83.8 26.4 -90.4 -14.5 10.0 26.8 4.1 39 39 A V - 0 0 87 -36,-0.1 2,-0.4 -38,-0.0 -36,-0.2 -0.991 62.8-159.0-145.0 144.4 10.3 30.0 6.2 40 40 A I B +A 2 0A 4 -38,-2.5 -38,-2.8 -2,-0.3 -16,-0.0 -0.995 26.6 151.2-121.9 126.3 9.5 33.6 5.7 41 41 A E + 0 0 151 -2,-0.4 2,-0.3 -40,-0.2 -1,-0.1 0.564 50.2 98.8-111.3 -24.9 11.2 36.4 7.7 42 42 A D > - 0 0 89 1,-0.2 4,-2.1 2,-0.0 3,-0.2 -0.499 67.1-146.6 -66.5 120.3 10.9 39.2 5.1 43 43 A E H > S+ 0 0 123 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.852 97.3 56.8 -59.0 -35.0 7.8 41.3 6.0 44 44 A E H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 109.0 45.7 -62.6 -41.6 7.1 42.0 2.3 45 45 A L H > S+ 0 0 36 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.873 113.6 49.3 -67.9 -40.5 6.9 38.3 1.6 46 46 A Y H X S+ 0 0 40 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.949 108.4 53.3 -63.3 -48.9 4.7 37.6 4.6 47 47 A N H X S+ 0 0 61 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.916 112.1 44.8 -57.2 -43.0 2.4 40.5 3.7 48 48 A a H X S+ 0 0 33 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.858 111.6 52.3 -72.1 -28.3 1.9 39.0 0.1 49 49 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.913 109.0 51.5 -66.3 -38.7 1.5 35.5 1.5 50 50 A K H X S+ 0 0 72 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.916 110.0 48.5 -65.1 -42.1 -1.2 36.9 3.9 51 51 A E H X S+ 0 0 31 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.916 111.7 49.5 -62.9 -41.5 -3.0 38.6 0.9 52 52 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.921 110.0 51.7 -61.3 -42.0 -2.8 35.3 -1.0 53 53 A M H < S+ 0 0 55 -4,-2.7 3,-0.4 1,-0.2 8,-0.3 0.932 111.2 47.2 -60.4 -46.7 -4.2 33.4 2.0 54 54 A E H < S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.794 116.0 45.8 -64.7 -29.6 -7.1 35.9 2.2 55 55 A A H < S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.650 76.7 120.6 -89.2 -18.5 -7.8 35.6 -1.6 56 56 A C >< - 0 0 22 -4,-1.6 3,-1.1 -3,-0.4 5,-0.0 -0.266 57.4-146.6 -57.9 121.3 -7.6 31.8 -2.0 57 57 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 -46,-0.0 0.696 95.9 35.1 -64.7 -19.5 -11.1 30.9 -3.4 58 58 A V T 3 S- 0 0 50 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.285 107.6-117.1-116.8 9.1 -11.1 27.5 -1.5 59 59 A S < + 0 0 101 -3,-1.1 -48,-0.1 -6,-0.1 -6,-0.1 0.893 64.5 143.1 57.1 47.7 -9.3 28.5 1.7 60 60 A A + 0 0 4 -50,-0.1 -53,-2.8 -7,-0.1 2,-0.4 0.637 45.0 84.5 -90.6 -11.7 -6.3 26.1 1.1 61 61 A I E +B 6 0A 10 -8,-0.3 2,-0.3 -55,-0.2 -55,-0.2 -0.761 47.9 169.7-100.4 134.9 -3.7 28.4 2.5 62 62 A T E -B 5 0A 88 -57,-2.2 -57,-2.6 -2,-0.4 2,-0.4 -0.950 18.0-150.5-134.6 156.4 -2.7 28.8 6.2 63 63 A I E -B 4 0A 37 -2,-0.3 2,-0.4 -59,-0.2 -59,-0.2 -0.993 6.9-157.3-130.4 126.2 0.2 30.6 7.8 64 64 A E E -B 3 0A 129 -61,-3.1 -61,-2.7 -2,-0.4 2,-0.3 -0.860 5.7-159.0-102.4 133.9 1.9 29.6 11.0 65 65 A E E B 2 0A 133 -2,-0.4 -63,-0.2 -63,-0.2 -2,-0.0 -0.848 360.0 360.0-103.2 149.3 3.9 32.1 13.2 66 66 A A 0 0 136 -65,-1.8 -2,-0.0 -2,-0.3 0, 0.0 -0.965 360.0 360.0-138.2 360.0 6.4 31.1 15.8 67 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 1 B A 0 0 50 0, 0.0 65,-0.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.5 -8.7 63.4 -11.0 69 2 B W E -DE 107 132C 27 38,-2.8 38,-2.9 63,-0.3 2,-0.5 -0.973 360.0-133.0-125.7 146.1 -9.1 59.8 -12.0 70 3 B K E -DE 106 131C 76 61,-2.9 61,-2.2 -2,-0.4 2,-0.5 -0.839 21.7-151.8 -93.9 131.9 -12.2 57.7 -12.5 71 4 B V E + E 0 130C 3 34,-3.1 2,-0.3 -2,-0.5 59,-0.2 -0.906 18.6 173.5-108.1 131.4 -12.2 54.3 -10.8 72 5 B S E - E 0 129C 40 57,-2.8 57,-2.8 -2,-0.5 2,-0.4 -0.977 21.2-157.1-136.1 147.3 -14.1 51.3 -12.2 73 6 B V E - E 0 128C 18 -2,-0.3 2,-0.9 55,-0.2 55,-0.2 -0.997 23.4-132.4-118.8 127.4 -14.5 47.6 -11.4 74 7 B D >> - 0 0 75 53,-2.7 4,-2.3 -2,-0.4 3,-1.0 -0.692 16.5-161.1 -76.9 105.3 -15.7 45.4 -14.2 75 8 B Q T 34 S+ 0 0 58 -2,-0.9 -1,-0.2 1,-0.3 25,-0.1 0.844 87.0 53.9 -58.5 -35.9 -18.4 43.3 -12.4 76 9 B D T 34 S+ 0 0 155 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.711 113.2 41.0 -74.9 -22.9 -18.3 40.6 -15.1 77 10 B T T <4 S+ 0 0 51 -3,-1.0 -2,-0.2 50,-0.1 -1,-0.2 0.785 90.4 105.4 -93.9 -32.5 -14.6 40.0 -14.8 78 11 B C < - 0 0 15 -4,-2.3 -5,-0.0 49,-0.2 45,-0.0 -0.207 50.3-166.5 -53.4 129.5 -14.4 40.3 -11.0 79 12 B I - 0 0 90 20,-0.0 -1,-0.1 0, 0.0 20,-0.1 0.307 40.3-115.5-106.7 8.8 -13.9 36.9 -9.3 80 13 B G + 0 0 31 1,-0.1 -2,-0.1 20,-0.0 19,-0.1 0.719 68.2 140.2 72.6 23.7 -14.7 38.1 -5.8 81 14 B C - 0 0 23 1,-0.1 -1,-0.1 19,-0.0 18,-0.1 0.634 51.8-143.8 -73.2 -20.0 -11.3 37.4 -4.3 82 15 B A > + 0 0 35 16,-0.1 4,-1.9 1,-0.1 5,-0.2 0.516 58.4 130.4 68.1 11.6 -11.5 40.7 -2.3 83 16 B I H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.910 72.5 51.8 -60.4 -40.1 -7.8 41.5 -2.7 84 17 B C H > S+ 0 0 12 1,-0.3 4,-2.9 2,-0.2 8,-0.3 0.906 110.6 47.5 -66.8 -38.3 -8.6 45.1 -3.8 85 18 B A H 4 S+ 0 0 20 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.792 113.2 50.1 -68.9 -30.8 -10.8 45.6 -0.7 86 19 B S H < S+ 0 0 40 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.921 117.7 37.9 -70.4 -47.4 -8.0 44.2 1.4 87 20 B L H < S+ 0 0 35 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.922 134.7 16.1 -73.9 -47.3 -5.3 46.4 -0.0 88 21 B b >X + 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 3,-2.1 -0.522 61.6 161.5-132.0 71.5 -7.2 49.6 -0.5 89 22 B P T 34 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.629 74.0 71.7 -63.6 -12.6 -10.5 49.6 1.5 90 23 B D T 34 S+ 0 0 111 1,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.790 117.2 19.4 -71.0 -24.6 -10.5 53.4 1.2 91 24 B V T <4 S+ 0 0 0 -3,-2.1 12,-3.6 -7,-0.2 13,-1.0 0.722 122.8 51.9-112.9 -34.9 -11.4 52.9 -2.4 92 25 B F E < +F 102 0D 2 -4,-2.9 2,-0.3 -8,-0.3 -1,-0.2 -0.886 53.0 170.8-117.0 140.2 -12.7 49.3 -2.8 93 26 B E E -F 101 0D 74 8,-2.2 8,-2.2 -2,-0.4 2,-0.4 -0.977 32.5-115.4-140.5 153.4 -15.5 47.4 -1.0 94 27 B M E -F 100 0D 63 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.729 31.6-148.0 -91.7 137.1 -17.2 44.1 -1.5 95 28 B N > - 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