==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 05-MAR-01 1H98 . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR S.MACEDO-RIBEIRO,B.M.MARTINS,P.J.B.PEREIRA,G.BUSE,R.HUBER, . 77 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 45 58.4 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 10.4 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 1.3 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 1 1 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 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 P 0 0 41 0, 0.0 56,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 163.7 -4.4 13.0 19.8 2 2 A H E -A 56 0A 13 54,-0.3 2,-0.4 55,-0.1 32,-0.1 -0.750 360.0-146.8 -99.2 157.2 -2.0 11.4 22.3 3 3 A V E -A 55 0A 5 52,-3.0 52,-2.1 -2,-0.3 2,-0.6 -0.987 9.4-136.9-132.4 135.4 1.6 10.7 21.4 4 4 A I E -A 54 0A 3 -2,-0.4 50,-0.2 63,-0.2 67,-0.1 -0.817 35.3-168.3 -90.6 119.8 4.0 7.9 22.4 5 5 A C > - 0 0 0 48,-3.0 3,-1.7 -2,-0.6 4,-0.3 -0.226 36.7 -60.6 -98.9-169.2 7.4 9.5 23.1 6 6 A E G > S+ 0 0 93 1,-0.3 3,-1.9 2,-0.2 47,-0.1 0.731 114.1 70.0 -41.8 -46.8 11.0 8.4 23.7 7 7 A P G 3 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 46,-0.1 0.714 89.0 66.6 -51.3 -24.4 10.7 6.2 26.9 8 8 A C G X> S+ 0 0 12 -3,-1.7 4,-2.4 45,-0.1 3,-2.4 0.819 77.6 99.5 -67.6 -31.5 8.9 3.5 24.9 9 9 A I T <4 S+ 0 0 63 -3,-1.9 22,-0.2 -4,-0.3 21,-0.1 -0.361 95.8 9.9 -61.2 126.5 12.0 2.8 22.8 10 10 A G T 34 S+ 0 0 76 20,-0.8 -1,-0.3 -2,-0.1 -2,-0.1 0.452 130.3 59.8 83.2 -0.2 13.8 -0.3 24.2 11 11 A V T <4 + 0 0 68 -3,-2.4 -2,-0.2 19,-0.3 -3,-0.1 0.694 55.8 172.2-120.9 -59.8 10.8 -1.0 26.4 12 12 A K < + 0 0 55 -4,-2.4 -4,-0.1 18,-0.2 -3,-0.1 0.871 12.1 171.6 42.6 51.9 7.6 -1.6 24.4 13 13 A D - 0 0 75 1,-0.1 -1,-0.1 -5,-0.1 -5,-0.0 0.804 22.5-154.9 -57.0 -39.8 5.7 -2.7 27.5 14 14 A Q >> + 0 0 99 1,-0.1 3,-1.0 3,-0.0 4,-0.9 0.417 55.1 124.4 75.0 5.4 2.4 -2.7 25.7 15 15 A S H 3> S+ 0 0 39 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.851 71.5 63.8 -62.1 -28.3 0.1 -2.2 28.8 16 16 A C H >> S+ 0 0 11 1,-0.2 4,-1.0 2,-0.2 3,-0.8 0.834 92.7 62.6 -62.7 -34.1 -1.2 0.8 26.8 17 17 A V H X4 S+ 0 0 55 -3,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.894 99.3 52.8 -61.2 -42.2 -2.6 -1.5 24.1 18 18 A E H 3< S+ 0 0 162 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.659 110.6 46.1 -72.6 -14.7 -5.0 -3.4 26.4 19 19 A V H << S+ 0 0 59 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.581 82.3 107.0-103.0 -10.6 -6.7 -0.2 27.8 20 20 A C X< - 0 0 19 -4,-1.0 3,-1.1 -3,-0.5 5,-0.1 -0.568 56.2-156.5 -73.5 115.6 -7.2 1.6 24.5 21 21 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.720 92.8 39.2 -62.7 -26.0 -11.0 1.5 23.6 22 22 A V T 3 S- 0 0 61 0, 0.0 -2,-0.1 0, 0.0 17,-0.0 0.382 101.4-129.2-106.5 2.8 -10.4 2.1 19.9 23 23 A E < + 0 0 152 -3,-1.1 -6,-0.1 -6,-0.2 16,-0.1 0.894 57.3 144.1 49.4 51.9 -7.3 -0.1 19.5 24 24 A C + 0 0 4 14,-0.1 11,-2.7 -7,-0.0 2,-0.6 0.087 34.0 101.9-106.1 22.2 -5.3 2.6 17.8 25 25 A I E -B 34 0B 13 9,-0.2 2,-0.3 -8,-0.1 9,-0.2 -0.942 53.2-179.4-108.9 119.4 -1.9 1.8 19.3 26 26 A Y E -B 33 0B 82 7,-2.5 7,-2.5 -2,-0.6 2,-0.5 -0.851 34.6 -97.6-124.3 158.3 0.3 -0.1 16.9 27 27 A D E +B 32 0B 96 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.558 34.5 176.8 -73.2 119.2 3.8 -1.7 16.7 28 28 A G - 0 0 20 3,-2.1 2,-1.1 -2,-0.5 4,-0.2 0.158 47.4-108.9-110.3 17.3 6.2 0.7 14.9 29 29 A G S S+ 0 0 49 1,-0.2 -1,-0.1 0, 0.0 3,-0.1 -0.739 109.4 31.9 96.8 -91.0 9.3 -1.3 15.2 30 30 A D S S- 0 0 78 -2,-1.1 -20,-0.8 1,-0.1 2,-0.3 0.622 137.5 -0.3 -78.6 -10.0 11.5 0.5 17.8 31 31 A Q S S- 0 0 0 -22,-0.2 -3,-2.1 -21,-0.1 2,-0.2 -0.964 78.2-101.0-164.9 165.3 8.4 1.7 19.6 32 32 A F E -B 27 0B 16 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.549 39.9-156.9 -88.6 162.3 4.6 1.5 19.5 33 33 A Y E -B 26 0B 31 -7,-2.5 -7,-2.5 -2,-0.2 2,-0.5 -0.964 15.0-123.0-141.1 159.3 2.8 4.5 18.1 34 34 A I E -B 25 0B 2 -2,-0.3 -9,-0.2 -9,-0.2 41,-0.2 -0.903 26.2-126.5-104.8 125.6 -0.7 6.1 18.4 35 35 A H >> - 0 0 30 -11,-2.7 4,-2.3 -2,-0.5 3,-1.3 -0.646 17.9-152.6 -73.7 114.7 -2.6 6.6 15.1 36 36 A P T 34 S+ 0 0 20 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 0.786 91.3 50.7 -55.4 -39.6 -3.5 10.4 15.2 37 37 A E T 34 S+ 0 0 137 1,-0.2 -2,-0.1 -3,-0.0 -13,-0.0 0.597 116.8 40.3 -78.3 -14.6 -6.6 10.0 13.1 38 38 A E T <4 S+ 0 0 78 -3,-1.3 -1,-0.2 -14,-0.1 -14,-0.1 0.737 87.8 102.5-102.7 -33.2 -8.0 7.2 15.2 39 39 A C < - 0 0 23 -4,-2.3 -5,-0.0 -15,-0.2 -19,-0.0 -0.306 50.3-164.9 -56.0 130.6 -7.2 8.3 18.7 40 40 A I - 0 0 101 -39,-0.0 -1,-0.1 -2,-0.0 -3,-0.0 0.293 37.1-121.4-100.1 5.9 -10.2 9.8 20.6 41 41 A D + 0 0 69 1,-0.1 -2,-0.1 -39,-0.0 0, 0.0 0.808 61.4 146.3 58.6 37.9 -8.1 11.4 23.3 42 42 A C - 0 0 75 1,-0.1 -1,-0.1 -40,-0.0 -3,-0.0 0.719 50.5-140.1 -75.1 -21.0 -9.8 9.6 26.2 43 43 A G > + 0 0 22 1,-0.1 3,-1.4 12,-0.0 -1,-0.1 0.367 62.7 126.6 79.9 -2.0 -6.4 9.5 28.1 44 44 A A T 3> + 0 0 41 1,-0.3 4,-0.7 2,-0.2 -24,-0.1 0.787 67.3 60.5 -57.9 -31.3 -6.8 6.0 29.4 45 45 A C H 3> S+ 0 0 12 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.731 88.1 75.1 -71.3 -22.5 -3.4 4.9 28.0 46 46 A V H X4 S+ 0 0 52 -3,-1.4 3,-0.8 1,-0.2 8,-0.3 0.943 98.9 38.8 -58.8 -55.3 -1.5 7.5 30.0 47 47 A P H 34 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.796 109.4 66.1 -68.5 -22.1 -1.6 5.9 33.5 48 48 A A H 3< S+ 0 0 27 -4,-0.7 -2,-0.2 -32,-0.1 -33,-0.2 0.743 78.7 89.2 -69.9 -27.9 -1.1 2.4 31.9 49 49 A C X< - 0 0 16 -4,-1.0 3,-1.7 -3,-0.8 5,-0.1 -0.653 63.4-157.3 -78.5 116.8 2.5 3.1 30.6 50 50 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.695 93.0 47.1 -64.0 -20.6 5.0 2.1 33.3 51 51 A V T 3 S- 0 0 51 -3,-0.0 -2,-0.1 -43,-0.0 -3,-0.0 0.206 108.5-119.1-107.6 15.1 7.7 4.4 31.8 52 52 A N < + 0 0 114 -3,-1.7 -44,-0.1 -6,-0.2 -6,-0.1 0.856 63.2 145.5 52.2 42.6 5.5 7.5 31.3 53 53 A A + 0 0 1 -46,-0.1 -48,-3.0 -7,-0.1 2,-0.4 0.707 42.2 84.8 -82.7 -18.0 6.0 7.6 27.6 54 54 A I E +A 4 0A 7 -8,-0.3 -50,-0.2 -50,-0.2 -5,-0.1 -0.749 49.4 166.7 -98.6 129.8 2.5 8.8 26.6 55 55 A Y E -A 3 0A 69 -52,-2.1 -52,-3.0 -2,-0.4 5,-0.1 -0.957 42.2-106.6-136.2 146.9 1.5 12.5 26.5 56 56 A P E > -A 2 0A 26 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.525 44.2-113.1 -66.4 147.1 -1.5 14.5 25.1 57 57 A E G > S+ 0 0 71 -56,-2.6 3,-1.4 1,-0.3 -55,-0.1 0.888 117.1 55.4 -50.8 -41.0 -0.1 16.2 22.1 58 58 A E G 3 S+ 0 0 142 1,-0.3 -1,-0.3 -57,-0.2 -56,-0.1 0.720 112.1 44.4 -65.7 -21.2 -0.5 19.7 23.7 59 59 A D G < S+ 0 0 102 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.304 75.8 134.7-108.4 7.1 1.6 18.5 26.6 60 60 A V < - 0 0 10 -3,-1.4 5,-0.1 -4,-0.5 -6,-0.0 -0.395 67.6-102.8 -59.6 126.0 4.4 16.7 24.8 61 61 A P > - 0 0 29 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.231 25.6-118.4 -52.4 138.8 7.7 17.9 26.5 62 62 A E G > S+ 0 0 145 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.832 115.4 55.0 -47.9 -37.4 9.6 20.5 24.4 63 63 A Q G 3 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.712 110.4 45.1 -72.6 -20.3 12.5 18.1 24.1 64 64 A W G X S+ 0 0 55 -3,-2.3 3,-2.3 1,-0.1 4,-0.3 0.234 72.2 115.8-109.8 16.9 10.3 15.3 22.6 65 65 A K T X> + 0 0 99 -3,-1.0 3,-1.7 -4,-0.4 4,-0.6 0.794 67.3 69.6 -55.1 -31.3 8.3 17.4 20.1 66 66 A S H 3> S+ 0 0 82 1,-0.3 4,-1.7 -3,-0.2 -1,-0.3 0.730 85.1 69.8 -60.9 -23.0 9.9 15.4 17.3 67 67 A Y H <> S+ 0 0 21 -3,-2.3 4,-2.4 2,-0.2 -1,-0.3 0.731 86.2 66.6 -70.2 -18.7 7.8 12.4 18.4 68 68 A I H <> S+ 0 0 24 -3,-1.7 4,-1.8 -4,-0.3 -1,-0.2 0.978 107.9 38.1 -64.5 -51.6 4.6 14.0 17.2 69 69 A E H X S+ 0 0 82 -4,-0.6 4,-3.0 1,-0.2 5,-0.2 0.850 112.7 58.7 -67.9 -33.8 5.8 13.8 13.6 70 70 A K H X S+ 0 0 54 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.934 106.7 46.6 -60.5 -47.1 7.3 10.3 14.2 71 71 A N H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.899 113.2 51.3 -61.3 -40.2 4.0 8.9 15.3 72 72 A R H <>S+ 0 0 83 -4,-1.8 5,-2.7 -5,-0.2 4,-0.3 0.931 111.1 46.2 -62.5 -46.4 2.4 10.6 12.3 73 73 A K H ><5S+ 0 0 147 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.887 110.9 52.2 -64.6 -40.5 5.0 9.0 9.9 74 74 A L H 3<5S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 106.5 54.4 -63.2 -34.9 4.6 5.6 11.5 75 75 A A T 3<5S- 0 0 17 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.556 121.7-112.5 -74.6 -7.2 0.9 5.9 11.0 76 76 A G T < 5 0 0 67 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.695 360.0 360.0 83.6 20.8 1.6 6.6 7.3 77 77 A L < 0 0 98 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.0 -0.357 360.0 360.0 -95.5 360.0 0.5 10.2 7.4