==== 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 05-MAY-98 1BC6 . COMPND 2 MOLECULE: 7-FE FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SCHLEGELII; . AUTHOR S.AONO,D.BENTROP,I.BERTINI,A.DONAIRE,C.LUCHINAT,Y.NIIKURA, . 77 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 55.8 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 . 7 9.1 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 . 5 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 20.8 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 1 0 0 0 0 0 0 0 0 1 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 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 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 10 0, 0.0 56,-2.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 150.7 -1.6 -3.3 8.0 2 2 A Y E +A 56 0A 32 54,-0.3 54,-0.3 33,-0.1 2,-0.3 -0.862 360.0 174.7 -99.2 116.5 -2.4 -0.9 5.2 3 3 A V E -A 55 0A 0 52,-2.9 52,-2.4 -2,-0.6 65,-0.1 -0.777 29.1 -91.4-130.2 161.9 -1.4 -2.5 1.9 4 4 A I + 0 0 3 -2,-0.3 50,-0.2 50,-0.2 -1,-0.1 -0.179 37.1 165.8 -64.2 163.2 -1.6 -1.9 -1.9 5 5 A T - 0 0 0 62,-0.1 -1,-0.1 63,-0.0 49,-0.1 0.034 49.7 -69.3-130.3 -98.4 -4.2 -3.0 -4.3 6 6 A E S > S+ 0 0 61 47,-0.2 3,-2.5 3,-0.1 47,-0.1 0.649 102.8 74.9-147.5 -58.4 -5.0 -1.9 -7.8 7 7 A P T 3 S+ 0 0 69 0, 0.0 46,-0.1 0, 0.0 47,-0.1 0.728 93.7 63.8 -50.9 -25.3 -6.4 1.6 -8.4 8 8 A C T > S+ 0 0 26 45,-0.1 3,-3.0 2,-0.1 24,-0.1 0.767 73.3 127.5 -67.9 -24.3 -2.8 3.0 -7.7 9 9 A I T < S- 0 0 66 -3,-2.5 3,-0.1 1,-0.3 -3,-0.1 -0.046 94.2 -22.1 -43.9 117.5 -1.5 1.2 -10.8 10 10 A G T 3 S+ 0 0 59 1,-0.2 2,-0.8 2,-0.1 -1,-0.3 0.577 104.9 134.1 56.6 15.8 0.3 3.8 -13.0 11 11 A T < - 0 0 79 -3,-3.0 -1,-0.2 -4,-0.0 0, 0.0 -0.826 68.8 -65.7-107.1 100.0 -1.7 6.5 -11.3 12 12 A K - 0 0 121 -2,-0.8 2,-0.3 -3,-0.1 -2,-0.1 -0.105 57.2-106.0 60.9-156.8 0.4 9.5 -10.2 13 13 A D + 0 0 92 18,-0.0 18,-0.0 -3,-0.0 0, 0.0 -0.882 64.8 23.3-153.6 173.2 3.2 9.5 -7.6 14 14 A A + 0 0 34 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 0.165 62.3 101.1 60.2-168.3 3.9 10.8 -4.0 15 15 A S S S+ 0 0 39 1,-0.2 -1,-0.1 34,-0.1 33,-0.0 0.791 98.4 39.6 55.6 38.5 1.3 11.6 -1.2 16 16 A C S >> S+ 0 0 13 32,-0.1 3,-0.9 33,-0.1 4,-0.9 0.021 102.8 60.7-166.9 -54.0 2.0 8.2 0.6 17 17 A V T 34 S+ 0 0 53 1,-0.2 3,-0.4 2,-0.2 8,-0.3 0.864 108.5 46.1 -53.5 -43.2 5.8 7.4 0.4 18 18 A E T 34 S+ 0 0 117 1,-0.2 -1,-0.2 3,-0.0 5,-0.1 0.635 107.7 56.5 -79.4 -19.5 6.7 10.6 2.4 19 19 A V T <4 S+ 0 0 57 -3,-0.9 -1,-0.2 3,-0.0 -2,-0.2 0.697 74.9 109.7 -87.4 -23.2 4.1 10.3 5.2 20 20 A C >< - 0 0 16 -4,-0.9 3,-2.0 -3,-0.4 5,-0.1 -0.418 57.2-150.8 -74.7 122.7 4.9 6.8 6.6 21 21 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.582 100.4 41.2 -65.5 -12.8 6.5 6.8 10.1 22 22 A V T 3 S- 0 0 51 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.110 102.2-130.1-121.8 17.5 8.3 3.5 9.3 23 23 A D < + 0 0 126 -3,-2.0 -6,-0.0 1,-0.2 16,-0.0 0.655 58.6 144.0 53.4 23.3 9.3 4.4 5.7 24 24 A C + 0 0 2 11,-0.1 11,-2.4 10,-0.1 2,-0.5 0.274 27.1 109.1 -92.7 15.1 7.9 1.1 4.5 25 25 A I E +B 34 0B 10 -8,-0.3 9,-0.3 9,-0.2 2,-0.2 -0.802 46.5 165.2 -83.4 124.7 6.6 2.2 1.1 26 26 A H E -B 33 0B 59 7,-2.5 7,-3.0 -2,-0.5 2,-0.2 -0.752 35.0 -82.6-133.4 177.7 8.8 0.7 -1.5 27 27 A E E -B 32 0B 133 5,-0.3 5,-0.2 -2,-0.2 2,-0.2 -0.594 31.6-173.0 -93.2 147.3 8.6 0.2 -5.3 28 28 A G - 0 0 16 3,-1.9 5,-0.1 -2,-0.2 4,-0.0 -0.485 51.1 -79.4-108.4-168.6 6.9 -2.5 -7.4 29 29 A E S S- 0 0 131 -2,-0.2 3,-0.1 3,-0.1 -2,-0.0 0.945 119.7 -7.3 -54.6 -59.5 7.1 -3.0 -11.2 30 30 A D S S+ 0 0 98 1,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.795 135.2 30.9-103.6 -68.6 4.6 -0.2 -12.0 31 31 A Q S S- 0 0 11 1,-0.1 -3,-1.9 -4,-0.1 -1,-0.1 -0.318 88.3 -94.9 -89.0 170.9 3.0 1.0 -8.7 32 32 A Y E -B 27 0B 65 -5,-0.2 -5,-0.3 -24,-0.1 2,-0.2 -0.455 34.5-154.3 -77.1 163.0 4.5 1.3 -5.2 33 33 A Y E -B 26 0B 8 -7,-3.0 -7,-2.5 -2,-0.1 2,-0.4 -0.776 5.0-139.5-125.7 173.7 4.1 -1.4 -2.5 34 34 A I E -B 25 0B 4 -9,-0.3 -30,-0.2 -2,-0.2 -9,-0.2 -0.999 20.8-122.2-134.9 131.1 4.1 -1.3 1.3 35 35 A D > - 0 0 5 -11,-2.4 4,-2.0 -2,-0.4 -33,-0.1 -0.685 27.2-167.0 -70.5 114.1 5.7 -3.9 3.6 36 36 A P T 4 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.713 81.9 58.2 -78.4 -22.1 2.6 -4.8 5.6 37 37 A D T 4 S+ 0 0 82 1,-0.2 -2,-0.1 -3,-0.1 35,-0.0 0.831 112.4 41.3 -79.4 -30.6 4.5 -6.7 8.4 38 38 A V T 4 S+ 0 0 73 -14,-0.1 -1,-0.2 -3,-0.1 -14,-0.0 0.877 91.3 101.2 -74.3 -47.2 6.5 -3.5 9.1 39 39 A C < - 0 0 15 -4,-2.0 -5,-0.0 1,-0.2 -36,-0.0 -0.202 65.7-149.5 -49.1 125.1 3.5 -1.2 8.8 40 40 A I - 0 0 110 1,-0.1 -1,-0.2 -39,-0.1 -3,-0.1 0.125 40.2-107.2 -89.4 21.2 2.3 -0.3 12.4 41 41 A D S S+ 0 0 83 -5,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.880 72.4 145.0 54.2 45.9 -1.4 0.1 11.4 42 42 A C - 0 0 56 1,-0.3 2,-0.5 -40,-0.1 -1,-0.1 0.664 40.7-153.4 -82.6 -20.2 -1.1 3.9 11.8 43 43 A G + 0 0 2 1,-0.1 2,-2.4 3,-0.0 -1,-0.3 -0.708 56.4 116.6 71.6-124.4 -3.5 4.8 8.9 44 44 A A S >> S+ 0 0 50 -2,-0.5 4,-1.4 1,-0.3 3,-1.3 -0.412 78.0 56.4 62.9 -72.1 -2.3 8.3 7.7 45 45 A C H >> S+ 0 0 10 -2,-2.4 4,-3.0 1,-0.3 3,-0.6 0.935 101.0 62.8 -47.0 -50.5 -1.4 7.0 4.2 46 46 A E H 34 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.2 6,-0.3 0.800 103.0 47.3 -30.0 -54.2 -5.1 5.9 4.2 47 47 A A H <4 S+ 0 0 85 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.852 117.4 38.6 -74.0 -39.1 -6.3 9.5 4.5 48 48 A V H << S+ 0 0 74 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.810 91.9 96.2 -84.0 -33.0 -4.1 11.0 1.8 49 49 A C S >< S- 0 0 12 -4,-3.0 3,-2.8 -5,-0.2 2,-0.1 -0.404 93.0-101.8 -61.8 125.4 -4.3 8.1 -0.8 50 50 A P G > S- 0 0 72 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.305 101.7 -13.4 -52.8 118.8 -7.0 8.9 -3.3 51 51 A V G 3 S- 0 0 128 1,-0.2 -2,-0.1 -4,-0.2 -4,-0.1 0.672 117.3 -80.0 59.8 20.8 -10.1 6.7 -2.3 52 52 A S G < + 0 0 23 -3,-2.8 -1,-0.2 -6,-0.3 -6,-0.1 0.940 65.1 174.7 51.1 54.1 -7.6 4.8 0.0 53 53 A A S < S+ 0 0 5 -3,-1.0 2,-0.8 -46,-0.1 -47,-0.2 0.869 71.2 76.8 -56.1 -34.6 -6.2 2.7 -2.8 54 54 A I S S- 0 0 5 -50,-0.2 2,-0.3 -9,-0.1 -50,-0.2 -0.735 80.4-176.6 -66.5 109.3 -4.0 1.6 -0.0 55 55 A Y E -A 3 0A 75 -52,-2.4 -52,-2.9 -2,-0.8 2,-0.1 -0.853 33.5 -92.8-117.8 150.3 -6.5 -0.7 1.7 56 56 A H E >> -A 2 0A 38 -2,-0.3 4,-3.0 -54,-0.3 3,-1.6 -0.388 44.0-111.5 -64.2 139.8 -6.2 -2.7 5.0 57 57 A E T 34 S+ 0 0 31 -56,-2.8 -1,-0.1 1,-0.3 11,-0.1 0.607 116.3 36.7 -55.7 -21.6 -4.9 -6.2 4.2 58 58 A D T 34 S+ 0 0 119 -57,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.518 112.3 56.1-108.6 -14.4 -8.2 -7.9 5.2 59 59 A F T <4 S+ 0 0 156 -3,-1.6 -2,-0.2 2,-0.1 3,-0.1 0.827 91.8 94.0 -72.6 -39.8 -10.5 -5.1 3.8 60 60 A V S < S- 0 0 2 -4,-3.0 5,-0.1 1,-0.1 -55,-0.0 -0.322 95.0-107.2 -46.3 125.1 -8.5 -5.9 0.6 61 61 A P >> - 0 0 59 0, 0.0 4,-1.6 0, 0.0 3,-1.2 -0.271 25.1-111.3 -59.8 149.7 -10.6 -8.5 -1.3 62 62 A E H >> S+ 0 0 171 1,-0.3 4,-0.8 2,-0.2 3,-0.7 0.906 120.7 62.1 -47.4 -46.4 -9.2 -12.1 -1.3 63 63 A E H >4 S+ 0 0 141 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.873 110.5 38.0 -40.3 -50.9 -8.5 -11.5 -5.0 64 64 A W H X> S+ 0 0 61 -3,-1.2 4,-1.3 1,-0.2 3,-1.1 0.574 90.1 85.8 -93.6 -4.8 -6.1 -8.7 -4.0 65 65 A K H S+ 0 0 50 -3,-1.1 4,-3.2 2,-0.2 -1,-0.2 0.856 108.6 54.1 -65.0 -37.6 -0.9 -8.3 -3.9 68 68 A I H X S+ 0 0 0 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.964 110.8 45.7 -63.0 -48.2 -0.5 -8.3 -0.1 69 69 A Q H X S+ 0 0 85 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.855 112.7 53.3 -60.2 -33.8 1.3 -11.6 -0.3 70 70 A K H X S+ 0 0 59 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.938 107.4 48.6 -64.5 -50.4 3.3 -10.0 -3.2 71 71 A N H X S+ 0 0 0 -4,-3.2 4,-1.0 2,-0.2 -2,-0.2 0.934 114.7 47.6 -55.9 -44.9 4.3 -7.0 -1.2 72 72 A R H >< S+ 0 0 51 -4,-2.9 3,-1.8 -5,-0.2 4,-0.5 0.981 110.1 52.0 -52.3 -59.8 5.3 -9.4 1.5 73 73 A D H >X S+ 0 0 71 -4,-3.2 4,-2.2 1,-0.3 3,-2.0 0.871 103.5 58.7 -43.9 -53.8 7.2 -11.6 -1.1 74 74 A F H 3< S+ 0 0 83 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.739 117.7 29.7 -46.2 -40.3 9.1 -8.5 -2.3 75 75 A F T << S+ 0 0 68 -3,-1.8 -1,-0.3 -4,-1.0 -2,-0.2 0.153 123.4 46.8-114.2 14.1 10.6 -7.8 1.2 76 76 A K T <4 0 0 106 -3,-2.0 -2,-0.2 -4,-0.5 -3,-0.2 0.642 360.0 360.0-115.4 -36.0 10.8 -11.3 2.6 77 77 A K < 0 0 175 -4,-2.2 -1,-0.4 -5,-0.2 0, 0.0 -0.992 360.0 360.0-155.8 360.0 12.2 -13.6 0.1