==== 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 06-MAY-98 1BD6 . 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) . 4430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 50.6 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 . 10 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 22.1 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 0 0 1 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 3 0, 0.0 56,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 139.9 -1.3 -3.6 7.8 2 2 A Y E -A 56 0A 32 54,-0.2 2,-0.3 33,-0.2 54,-0.2 -0.783 360.0-177.2 -94.7 131.6 -2.4 -1.0 5.2 3 3 A V E -A 55 0A 0 52,-2.9 52,-2.5 -2,-0.4 65,-0.1 -0.891 25.7 -99.0-137.8 155.6 -1.8 -2.1 1.6 4 4 A I - 0 0 2 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.218 34.3-167.1 -62.8 160.0 -2.0 -1.0 -2.0 5 5 A T > - 0 0 0 62,-0.1 3,-1.9 55,-0.0 4,-0.4 -0.953 40.5 -78.8-138.6 170.0 -4.8 -1.9 -4.4 6 6 A E G > S+ 0 0 76 -2,-0.3 3,-2.3 1,-0.3 47,-0.1 0.707 113.5 68.0 -15.9 -66.2 -5.6 -1.8 -8.1 7 7 A P G 3 S+ 0 0 65 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.707 93.8 57.4 -50.8 -29.3 -6.6 2.0 -8.3 8 8 A C G <> S+ 0 0 18 -3,-1.9 4,-3.1 45,-0.2 3,-0.3 0.814 82.1 107.4 -71.2 -26.0 -3.1 3.3 -7.6 9 9 A I T <4 S+ 0 0 65 -3,-2.3 2,-1.2 -4,-0.4 -3,-0.0 -0.257 97.1 0.4 -52.4 127.6 -1.8 1.3 -10.6 10 10 A G T 4 S+ 0 0 53 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 -0.148 119.7 78.6 81.2 -40.9 -1.0 3.8 -13.4 11 11 A T T 4 S+ 0 0 90 -2,-1.2 2,-2.2 -4,-0.4 -2,-0.2 0.954 71.3 166.6 -54.7 -48.8 -2.1 6.7 -11.2 12 12 A K < + 0 0 51 -4,-3.1 20,-0.3 20,-0.1 2,-0.3 -0.131 49.9 28.1 76.1 -42.1 1.4 5.9 -9.8 13 13 A D + 0 0 64 -2,-2.2 18,-0.0 -3,-0.1 0, 0.0 -0.909 50.6 125.1-143.7 168.0 1.9 9.1 -7.7 14 14 A A S S- 0 0 76 -2,-0.3 -1,-0.1 35,-0.0 -2,-0.0 0.221 83.1-108.4-169.6 -50.7 -0.3 11.5 -5.8 15 15 A S + 0 0 51 -3,-0.1 4,-0.1 35,-0.0 -2,-0.1 0.736 68.4 155.6-141.0 165.5 1.5 10.8 -3.4 16 16 A C > + 0 0 10 2,-0.1 3,-2.5 1,-0.1 4,-0.2 0.939 60.8 94.3 -87.9 -67.2 1.5 9.0 -0.1 17 17 A V G > S+ 0 0 48 1,-0.3 3,-1.7 2,-0.2 8,-0.2 0.287 81.9 47.2 10.0 -79.0 5.2 8.2 0.5 18 18 A E G 3 S+ 0 0 178 1,-0.3 -1,-0.3 5,-0.0 5,-0.1 0.710 101.4 65.6 -60.7 -25.7 6.5 11.1 2.7 19 19 A V G < S+ 0 0 58 -3,-2.5 -1,-0.3 -4,-0.1 -2,-0.2 0.701 75.5 106.4 -70.2 -20.9 3.6 11.0 5.2 20 20 A C X - 0 0 18 -3,-1.7 3,-2.3 -4,-0.2 5,-0.1 -0.487 62.9-147.7 -77.2 122.3 4.5 7.5 6.6 21 21 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.768 105.0 35.0 -48.6 -35.3 6.0 7.4 10.2 22 22 A V T 3 S- 0 0 48 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.008 100.7-135.8-114.1 22.2 8.0 4.3 9.2 23 23 A D < + 0 0 115 -3,-2.3 2,-0.7 1,-0.2 -4,-0.0 0.480 50.5 150.3 40.1 22.0 8.6 5.4 5.5 24 24 A C + 0 0 4 11,-0.1 11,-2.1 10,-0.1 2,-0.6 0.122 27.0 113.4 -83.9 28.4 7.7 1.8 4.3 25 25 A I E +B 34 0B 10 -2,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.879 43.8 173.5 -94.9 119.9 6.3 2.9 0.9 26 26 A H E -B 33 0B 73 7,-2.4 7,-3.2 -2,-0.6 -2,-0.0 -0.976 30.0-107.7-134.4 144.1 8.6 1.6 -1.8 27 27 A E E +B 32 0B 94 -2,-0.3 5,-0.3 5,-0.3 2,-0.1 -0.321 33.8 175.8 -70.0 150.4 8.3 1.6 -5.6 28 28 A G - 0 0 27 3,-2.5 -1,-0.1 2,-0.0 4,-0.1 -0.176 57.1 -44.7-119.1-136.9 7.5 -1.4 -7.8 29 29 A E S S- 0 0 128 -2,-0.1 3,-0.1 3,-0.1 -2,-0.1 0.960 124.8 -20.6 -61.3 -61.6 6.9 -1.9 -11.5 30 30 A D S S+ 0 0 67 1,-0.2 -21,-0.0 2,-0.1 2,-0.0 0.698 131.3 32.5-110.3 -72.3 4.6 1.0 -12.1 31 31 A Q S S- 0 0 2 1,-0.2 -3,-2.5 -4,-0.1 -1,-0.2 -0.197 88.0 -92.5 -82.6 174.5 3.0 2.1 -8.7 32 32 A Y E -B 27 0B 24 -20,-0.3 -5,-0.3 -5,-0.3 2,-0.3 -0.435 32.3-155.9 -78.7 164.0 4.3 2.0 -5.2 33 33 A Y E -B 26 0B 10 -7,-3.2 -7,-2.4 -2,-0.1 2,-0.3 -0.784 8.4-137.6-126.6 173.6 3.9 -0.9 -2.8 34 34 A I E -B 25 0B 2 -2,-0.3 -9,-0.2 -9,-0.2 -30,-0.2 -0.979 16.3-124.5-133.8 141.2 4.0 -0.9 1.0 35 35 A D > - 0 0 23 -11,-2.1 4,-2.5 -2,-0.3 -33,-0.2 -0.832 27.4-171.0 -80.7 107.6 5.5 -3.2 3.6 36 36 A P T 4 S+ 0 0 3 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.622 81.6 55.6 -74.6 -17.0 2.4 -4.0 5.6 37 37 A D T 4 S+ 0 0 103 1,-0.1 -2,-0.0 -36,-0.1 35,-0.0 0.741 113.2 40.5 -93.6 -26.5 4.3 -5.9 8.3 38 38 A V T 4 S+ 0 0 71 -3,-0.1 -1,-0.1 -14,-0.1 -14,-0.0 0.871 99.3 90.5 -74.2 -49.3 6.6 -2.8 8.9 39 39 A C S < S- 0 0 13 -4,-2.5 -5,-0.0 -15,-0.1 -19,-0.0 -0.270 75.8-144.3 -51.8 134.4 3.5 -0.6 8.6 40 40 A I - 0 0 111 -39,-0.1 -1,-0.1 1,-0.0 -3,-0.1 0.090 43.0 -96.8 -93.9 22.3 2.0 -0.2 12.1 41 41 A D S S+ 0 0 84 -5,-0.2 2,-0.2 1,-0.1 15,-0.0 0.998 70.1 159.8 48.1 78.8 -1.7 -0.1 11.1 42 42 A C - 0 0 32 1,-0.0 4,-0.3 -40,-0.0 -1,-0.1 -0.762 45.3-135.9-124.8 167.6 -2.1 3.7 11.1 43 43 A G S > S+ 0 0 43 -2,-0.2 4,-1.5 2,-0.1 5,-0.1 0.290 77.6 92.5-108.7 5.6 -4.6 6.0 9.5 44 44 A A H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.1 3,-0.5 0.995 92.7 34.9 -67.9 -64.7 -2.4 8.8 8.0 45 45 A C H > S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 3,-0.3 0.915 113.3 62.4 -58.4 -43.8 -1.8 7.5 4.5 46 46 A E H 4 S+ 0 0 67 -4,-0.3 6,-0.2 1,-0.2 -1,-0.2 0.876 107.4 43.5 -42.4 -52.5 -5.3 6.1 4.3 47 47 A A H < S+ 0 0 81 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.848 117.0 45.3 -67.5 -38.7 -6.8 9.6 4.7 48 48 A V H < S+ 0 0 81 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.868 90.4 93.8 -76.5 -39.3 -4.4 11.2 2.3 49 49 A C S >< S- 0 0 15 -4,-3.0 3,-2.8 -5,-0.2 2,-0.1 -0.337 92.8-100.2 -61.5 128.0 -4.6 8.6 -0.5 50 50 A P G > S- 0 0 79 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.297 104.4 -12.1 -50.2 118.0 -7.3 9.6 -3.2 51 51 A V G 3 S- 0 0 129 1,-0.2 -2,-0.1 -4,-0.2 -4,-0.1 0.684 117.8 -80.7 60.1 21.2 -10.4 7.4 -2.3 52 52 A S G < + 0 0 31 -3,-2.8 -1,-0.2 -6,-0.2 -6,-0.1 0.925 64.2 174.1 48.5 54.6 -8.1 5.5 0.0 53 53 A A < + 0 0 6 -3,-1.0 2,-0.9 -46,-0.1 -45,-0.2 0.850 68.4 81.3 -52.9 -34.5 -6.6 3.3 -2.7 54 54 A I S S+ 0 0 0 -50,-0.2 2,-0.3 -9,-0.2 -50,-0.2 -0.705 73.5 176.3 -68.5 108.0 -4.5 2.2 0.3 55 55 A Y E -A 3 0A 83 -52,-2.5 -52,-2.9 -2,-0.9 2,-0.2 -0.842 35.0 -97.0-118.2 154.0 -6.9 -0.3 1.9 56 56 A H E > -A 2 0A 35 -2,-0.3 4,-2.7 -54,-0.2 -54,-0.2 -0.480 35.5-115.2 -72.7 142.1 -6.4 -2.6 4.9 57 57 A E T 4 S+ 0 0 47 -56,-2.2 -1,-0.1 1,-0.2 11,-0.1 0.738 115.7 46.4 -48.6 -33.1 -5.4 -6.2 4.1 58 58 A D T 4 S+ 0 0 105 -57,-0.2 -1,-0.2 1,-0.2 7,-0.1 0.959 113.9 45.5 -72.7 -53.6 -8.7 -7.5 5.5 59 59 A F T 4 S+ 0 0 141 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.763 89.5 105.1 -61.5 -35.0 -11.0 -5.0 3.7 60 60 A V S < S- 0 0 0 -4,-2.7 5,-0.1 1,-0.1 -55,-0.0 -0.326 85.6-108.5 -49.1 125.1 -9.0 -5.6 0.5 61 61 A P >> - 0 0 49 0, 0.0 3,-1.9 0, 0.0 4,-1.3 -0.259 23.3-112.1 -61.2 149.1 -11.2 -7.8 -1.7 62 62 A E H >> S+ 0 0 139 1,-0.3 4,-0.7 2,-0.3 3,-0.7 0.874 120.0 63.8 -45.4 -45.8 -10.2 -11.4 -2.2 63 63 A E H 34 S+ 0 0 141 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.841 112.9 34.1 -41.5 -45.0 -9.5 -10.5 -5.8 64 64 A W H <> S+ 0 0 52 -3,-1.9 4,-1.8 1,-0.2 -2,-0.3 0.437 88.0 92.6-104.6 -1.4 -6.7 -8.1 -4.5 65 65 A K H S+ 0 0 53 -3,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.854 109.4 55.4 -55.7 -38.8 -1.7 -7.8 -4.3 68 68 A I H X S+ 0 0 8 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.956 108.5 46.3 -64.7 -45.6 -1.5 -7.8 -0.6 69 69 A Q H X S+ 0 0 130 -4,-2.5 4,-3.4 2,-0.2 -2,-0.2 0.913 112.4 53.7 -55.0 -41.5 0.5 -11.0 -0.7 70 70 A K H X S+ 0 0 56 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.939 106.1 49.9 -59.3 -53.2 2.6 -9.3 -3.5 71 71 A N H X S+ 0 0 0 -4,-3.2 4,-0.8 2,-0.2 -1,-0.2 0.899 115.0 46.1 -51.6 -43.6 3.3 -6.3 -1.2 72 72 A R H >X S+ 0 0 48 -4,-2.5 3,-2.0 -5,-0.2 4,-2.0 0.992 111.3 50.7 -57.7 -58.3 4.4 -8.8 1.4 73 73 A D H 3< S+ 0 0 98 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.843 100.5 64.8 -51.9 -43.2 6.4 -10.8 -1.1 74 74 A F H 3< S+ 0 0 76 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.809 120.1 22.0 -44.4 -43.7 8.2 -7.6 -2.3 75 75 A F H << S+ 0 0 50 -3,-2.0 -1,-0.2 -4,-0.8 -2,-0.2 0.456 118.2 78.0-111.3 -4.8 9.8 -7.3 1.2 76 76 A K < 0 0 101 -4,-2.0 -3,-0.1 -5,-0.1 -41,-0.0 0.263 360.0 360.0 -84.9-153.7 9.4 -10.9 2.3 77 77 A K 0 0 222 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.855 360.0 360.0-159.2 360.0 11.5 -14.0 1.4