==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 30-AUG-01 1IR0 . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR K.FUKUYAMA,T.OKADA,Y.KAKUTA,Y.TAKAHASHI . 81 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 45 55.6 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 . 9 11.1 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 . 1 1.2 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-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 4.9 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 . 14 17.3 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+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 1 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 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 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 85 0, 0.0 2,-0.4 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 150.4 30.0 3.4 10.7 2 2 A K - 0 0 63 44,-0.3 44,-2.9 68,-0.1 2,-0.3 -0.942 360.0-173.2-117.8 143.7 28.8 6.8 11.8 3 3 A Y E -A 69 0A 34 66,-2.5 66,-2.1 -2,-0.4 2,-0.3 -0.931 5.9-167.9-126.7 152.3 26.3 9.1 10.1 4 4 A T E +A 68 0A 1 40,-0.4 38,-0.3 -2,-0.3 2,-0.3 -0.963 9.9 167.7-144.0 157.1 25.3 12.6 11.1 5 5 A I E -A 67 0A 0 62,-1.2 62,-2.7 -2,-0.3 2,-0.5 -0.959 29.8-118.5-162.2 155.4 22.6 15.2 10.2 6 6 A V E -A 66 0A 1 -2,-0.3 2,-0.9 60,-0.2 60,-0.2 -0.923 19.4-132.5-105.4 132.7 21.2 18.5 11.4 7 7 A D >> - 0 0 9 58,-2.3 4,-1.6 -2,-0.5 3,-0.7 -0.715 19.1-163.6 -78.5 105.9 17.5 18.9 12.6 8 8 A K T 34 S+ 0 0 80 -2,-0.9 -1,-0.2 1,-0.2 57,-0.0 0.648 83.2 61.2 -66.4 -22.5 16.6 22.1 10.7 9 9 A E T 34 S+ 0 0 179 1,-0.1 -1,-0.2 56,-0.1 -2,-0.0 0.820 114.3 31.9 -73.6 -32.8 13.6 22.7 12.9 10 10 A T T <4 S+ 0 0 52 -3,-0.7 -2,-0.2 55,-0.1 55,-0.1 0.618 87.5 113.8-103.7 -15.0 15.7 23.1 16.1 11 11 A C < - 0 0 24 -4,-1.6 -5,-0.0 1,-0.1 21,-0.0 -0.368 43.8-168.2 -59.0 133.1 18.9 24.6 14.7 12 12 A I - 0 0 108 -2,-0.0 -1,-0.1 20,-0.0 -4,-0.0 0.196 37.4-120.3-108.1 12.7 19.4 28.2 16.1 13 13 A A + 0 0 47 1,-0.1 19,-0.1 2,-0.0 -2,-0.0 0.941 54.2 158.0 49.7 62.9 22.2 29.1 13.6 14 14 A C - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 0.421 51.7-121.0 -98.8 -5.6 24.7 29.8 16.5 15 15 A G S > S+ 0 0 38 1,-0.1 4,-0.9 4,-0.0 12,-0.0 0.376 79.1 113.1 85.4 -5.3 28.0 29.4 14.5 16 16 A A H > + 0 0 40 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.885 69.8 48.4 -73.2 -44.0 29.4 26.6 16.7 17 17 A C H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 8,-0.3 0.884 107.3 52.4 -74.0 -36.2 29.4 23.5 14.4 18 18 A G H 4 S+ 0 0 13 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.866 112.2 49.0 -65.3 -31.1 31.0 25.1 11.4 19 19 A A H < S+ 0 0 85 -4,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.910 115.8 42.7 -70.8 -40.1 33.8 26.3 13.7 20 20 A A H < S+ 0 0 32 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.833 136.6 8.2 -73.7 -35.8 34.2 22.8 15.3 21 21 A A >X + 0 0 0 -4,-2.6 4,-2.6 -5,-0.1 3,-2.3 -0.463 63.4 167.6-150.8 67.8 34.0 20.7 12.1 22 22 A P T 34 S+ 0 0 76 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.687 79.0 61.9 -63.2 -19.8 34.0 22.8 9.0 23 23 A D T 34 S+ 0 0 100 1,-0.1 3,-0.1 27,-0.1 -5,-0.1 0.370 117.4 29.2 -84.5 2.5 34.6 19.7 6.8 24 24 A I T <4 S+ 0 0 0 -3,-2.3 12,-2.4 1,-0.3 13,-0.6 0.611 120.3 42.3-120.5 -45.7 31.2 18.3 8.0 25 25 A Y E < +B 35 0B 2 -4,-2.6 -1,-0.3 -8,-0.3 2,-0.2 -0.928 56.1 151.9-116.8 136.0 28.9 21.2 8.8 26 26 A D E -B 34 0B 76 8,-2.3 8,-2.2 -2,-0.4 2,-0.4 -0.738 42.9 -94.0-140.2-167.5 28.3 24.5 6.9 27 27 A Y E -B 33 0B 71 6,-0.2 6,-0.2 -2,-0.2 5,-0.1 -0.939 30.6-135.8-124.7 134.1 25.3 26.9 6.6 28 28 A D > - 0 0 29 4,-3.0 3,-1.5 -2,-0.4 -1,-0.1 0.051 44.7 -78.6 -78.3-172.7 22.7 26.9 3.9 29 29 A E T 3 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.776 134.6 49.1 -62.8 -27.8 21.3 29.8 2.0 30 30 A D T 3 S- 0 0 132 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.523 121.6-107.9 -83.5 -10.6 19.1 30.7 4.9 31 31 A G S < S+ 0 0 31 -3,-1.5 2,-0.3 1,-0.3 -2,-0.1 0.502 75.1 136.4 96.3 4.5 22.0 30.5 7.3 32 32 A I - 0 0 43 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.647 58.6-104.7 -89.3 142.1 20.9 27.2 8.9 33 33 A A E +B 27 0B 2 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.205 44.4 165.8 -66.8 152.4 23.4 24.4 9.6 34 34 A Y E -B 26 0B 46 -8,-2.2 -8,-2.3 -29,-0.1 2,-0.6 -0.981 41.4 -98.2-158.4 161.1 23.5 21.3 7.4 35 35 A V E > > -B 25 0B 0 -2,-0.3 5,-1.9 -10,-0.2 3,-0.8 -0.734 24.9-163.8 -88.3 117.8 25.9 18.4 6.7 36 36 A T T 3 5S+ 0 0 54 -12,-2.4 3,-0.3 -2,-0.6 -1,-0.2 0.748 78.8 75.4 -73.2 -23.6 27.9 19.0 3.6 37 37 A L T 3 5S+ 0 0 41 -13,-0.6 -1,-0.2 1,-0.2 -12,-0.1 0.799 123.8 0.7 -56.9 -31.8 29.0 15.3 3.2 38 38 A D T X 5S- 0 0 19 -3,-0.8 3,-1.0 6,-0.1 -1,-0.2 0.040 105.3 -97.3-152.4 24.9 25.5 14.3 1.9 39 39 A D T 3 5S- 0 0 114 -4,-0.5 -3,-0.2 -3,-0.3 -2,-0.0 0.875 84.1 -55.7 47.5 45.6 23.5 17.6 1.8 40 40 A N T 3 > - 0 0 56 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.268 23.3-117.6 -55.4 143.4 35.3 9.8 7.1 48 48 A D G >4 S+ 0 0 138 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.856 113.0 54.4 -44.8 -49.4 37.7 8.3 9.6 49 49 A I G 34 S+ 0 0 155 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.645 108.2 51.0 -72.2 -11.8 39.8 11.5 9.8 50 50 A L G <> S+ 0 0 23 -3,-2.0 4,-2.3 1,-0.1 -1,-0.3 0.431 81.3 94.4-100.3 -3.9 36.7 13.7 10.6 51 51 A I H S+ 0 0 126 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.922 111.2 49.3 -65.2 -39.3 37.0 13.6 16.3 53 53 A D H > S+ 0 0 54 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 108.1 55.7 -61.9 -40.4 35.8 16.9 14.8 54 54 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.919 105.8 51.0 -56.2 -45.4 32.3 15.4 14.6 55 55 A M H X S+ 0 0 69 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.927 108.4 51.5 -59.8 -44.5 32.3 14.6 18.3 56 56 A D H X S+ 0 0 85 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.916 112.7 45.5 -57.5 -45.4 33.4 18.2 19.1 57 57 A A H X S+ 0 0 2 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.901 111.2 53.6 -66.2 -40.9 30.4 19.5 17.0 58 58 A F H >< S+ 0 0 87 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.936 114.1 39.9 -60.1 -52.2 28.0 17.0 18.5 59 59 A E H 3< S+ 0 0 152 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.876 115.0 53.7 -67.0 -33.9 28.8 18.0 22.1 60 60 A G H 3< S+ 0 0 42 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.539 78.7 104.6 -83.5 -4.6 29.0 21.7 21.4 61 61 A C X< - 0 0 17 -4,-0.9 3,-1.1 -3,-0.7 -4,-0.0 -0.642 58.7-156.9 -78.3 118.1 25.6 22.0 19.7 62 62 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -51,-0.0 0.821 89.2 42.0 -69.0 -30.8 23.4 23.8 22.3 63 63 A T T 3 S- 0 0 48 -53,-0.0 -2,-0.1 0, 0.0 -52,-0.0 0.304 105.8-120.3 -97.0 1.9 20.0 22.6 21.0 64 64 A D < + 0 0 107 -3,-1.1 -53,-0.1 -6,-0.1 -6,-0.0 0.763 68.4 140.2 61.0 27.2 21.1 19.0 20.3 65 65 A S + 0 0 2 -55,-0.1 -58,-2.3 -59,-0.1 2,-0.5 0.778 46.8 82.3 -70.6 -29.4 20.2 19.6 16.6 66 66 A I E -A 6 0A 3 -60,-0.2 2,-0.3 -8,-0.2 -60,-0.2 -0.705 69.8-163.3 -78.5 125.3 23.3 17.6 15.4 67 67 A K E -A 5 0A 27 -62,-2.7 -62,-1.2 -2,-0.5 2,-0.4 -0.857 9.2-168.2-109.3 147.7 22.5 13.9 15.5 68 68 A V E +A 4 0A 38 -2,-0.3 2,-0.3 -64,-0.2 -64,-0.2 -0.999 16.2 159.4-133.1 137.4 25.0 11.0 15.3 69 69 A A E -A 3 0A 11 -66,-2.1 -66,-2.5 -2,-0.4 4,-0.1 -0.956 48.4-127.2-151.1 166.3 24.1 7.3 14.7 70 70 A D S S+ 0 0 105 -2,-0.3 -68,-0.1 -68,-0.2 -2,-0.0 0.157 98.1 60.2 -92.9 12.0 25.6 4.0 13.6 71 71 A E S S- 0 0 97 -68,-0.1 -68,-0.2 -29,-0.0 -2,-0.0 -0.984 96.6 -95.4-144.6 140.0 22.7 3.7 11.1 72 72 A P - 0 0 47 0, 0.0 -29,-0.2 0, 0.0 -30,-0.1 -0.241 18.4-153.5 -61.9 149.3 21.7 6.0 8.1 73 73 A F > - 0 0 5 -31,-2.3 3,-1.7 -69,-0.1 -31,-0.2 0.697 17.2-157.4 -88.4 -28.5 19.0 8.7 8.7 74 74 A D T 3 S- 0 0 118 -32,-1.1 -32,-0.2 1,-0.3 -33,-0.1 0.878 74.4 -38.9 43.4 54.0 18.0 8.8 5.0 75 75 A G T 3 S+ 0 0 35 -34,-2.2 -1,-0.3 1,-0.1 -33,-0.1 0.325 117.6 103.2 92.3 -6.7 16.5 12.2 5.3 76 76 A D X - 0 0 71 -3,-1.7 3,-1.8 -35,-0.3 4,-0.2 -0.866 43.3-174.0-114.7 101.6 14.9 12.0 8.8 77 77 A P T 3 S+ 0 0 20 0, 0.0 3,-0.3 0, 0.0 -70,-0.1 0.703 88.9 54.6 -63.9 -16.8 16.9 13.8 11.5 78 78 A N T > + 0 0 62 1,-0.2 3,-1.1 2,-0.1 -71,-0.0 0.132 69.2 115.4-105.0 20.3 14.4 12.4 14.1 79 79 A K T < S+ 0 0 80 -3,-1.8 -1,-0.2 1,-0.3 -6,-0.0 0.833 86.9 34.6 -56.2 -34.6 14.8 8.8 13.1 80 80 A F T 3 0 0 88 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.299 360.0 360.0-107.4 9.3 16.2 8.0 16.5 81 81 A E < 0 0 151 -3,-1.1 -1,-0.2 0, 0.0 -2,-0.1 0.099 360.0 360.0-112.5 360.0 14.2 10.3 18.7