==== 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 1IQZ . 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) . 4588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 53.1 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 . 3 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 13.6 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 79 0, 0.0 2,-0.4 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 172.1 50.1 7.2 -11.8 2 2 A K - 0 0 67 44,-0.3 44,-2.9 68,-0.0 2,-0.3 -0.981 360.0-174.1-131.8 142.6 50.0 10.6 -10.2 3 3 A Y E -A 69 0A 33 66,-2.4 66,-2.0 -2,-0.4 2,-0.3 -0.946 7.2-168.6-128.0 152.1 47.1 12.8 -9.2 4 4 A T E +A 68 0A 0 40,-0.4 38,-0.4 -2,-0.3 2,-0.3 -0.972 9.4 168.7-145.9 158.1 47.2 16.3 -7.8 5 5 A I E -A 67 0A 0 62,-1.5 62,-2.8 -2,-0.3 2,-0.5 -0.968 29.7-118.5-162.3 153.8 44.7 18.8 -6.1 6 6 A V E -A 66 0A 1 -2,-0.3 2,-1.2 60,-0.2 60,-0.2 -0.906 15.9-137.2-103.3 131.1 44.8 22.1 -4.3 7 7 A D >> - 0 0 13 58,-2.9 3,-1.4 -2,-0.5 4,-1.2 -0.729 20.8-168.0 -78.4 97.4 43.6 22.4 -0.7 8 8 A K T 34 S+ 0 0 88 -2,-1.2 -1,-0.2 1,-0.3 58,-0.0 0.696 78.5 68.4 -65.8 -19.1 41.8 25.7 -1.2 9 9 A E T 34 S+ 0 0 174 1,-0.2 -1,-0.3 56,-0.1 -2,-0.0 0.692 111.1 30.3 -71.3 -24.9 41.4 26.2 2.5 10 10 A T T <4 S+ 0 0 58 -3,-1.4 -2,-0.2 55,-0.1 -1,-0.2 0.537 87.9 117.5-109.7 -14.1 45.2 26.7 3.0 11 11 A C < - 0 0 23 -4,-1.2 21,-0.0 1,-0.1 -5,-0.0 -0.372 46.3-161.7 -59.0 136.9 46.2 28.3 -0.3 12 12 A I - 0 0 106 -2,-0.1 -1,-0.1 19,-0.0 20,-0.1 0.205 37.6-116.4-107.9 13.0 47.5 31.9 0.1 13 13 A A + 0 0 43 1,-0.1 19,-0.1 18,-0.1 -2,-0.0 0.926 59.6 151.9 60.7 51.4 47.1 33.0 -3.5 14 14 A C - 0 0 72 17,-0.0 -1,-0.1 1,-0.0 18,-0.1 0.523 50.4-130.6 -95.4 -9.4 50.8 33.5 -4.2 15 15 A G S > S+ 0 0 37 16,-0.4 4,-0.6 1,-0.1 17,-0.0 0.505 72.5 115.5 74.2 8.7 50.9 32.8 -7.9 16 16 A A H > + 0 0 49 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.874 66.1 54.6 -82.2 -34.7 53.8 30.4 -7.8 17 17 A C H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 8,-0.3 0.866 104.5 52.2 -73.3 -38.1 52.2 27.1 -9.0 18 18 A G H 4 S+ 0 0 13 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.784 111.3 50.5 -66.8 -25.4 50.8 28.4 -12.2 19 19 A A H < S+ 0 0 82 -4,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.871 114.9 42.2 -73.9 -41.2 54.3 29.7 -13.1 20 20 A A H < S+ 0 0 32 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.818 137.0 12.3 -71.2 -34.3 55.9 26.3 -12.3 21 21 A A >X + 0 0 0 -4,-2.3 4,-2.2 -5,-0.1 3,-2.2 -0.527 65.9 169.7-149.2 69.1 53.2 24.2 -14.0 22 22 A P T 34 S+ 0 0 79 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.722 79.4 58.2 -62.5 -22.7 50.9 26.3 -16.1 23 23 A D T 34 S+ 0 0 101 1,-0.1 3,-0.1 27,-0.1 -5,-0.1 0.474 116.3 34.0 -83.9 -1.6 49.3 23.3 -17.8 24 24 A I T <4 S+ 0 0 0 -3,-2.2 12,-2.2 1,-0.3 13,-0.7 0.709 114.8 43.4-117.9 -43.8 48.2 22.0 -14.4 25 25 A Y E < +B 35 0B 3 -4,-2.2 -1,-0.3 -8,-0.3 2,-0.2 -0.934 52.6 153.3-117.8 139.1 47.3 24.9 -12.0 26 26 A D E -B 34 0B 83 8,-2.3 8,-2.2 -2,-0.4 2,-0.3 -0.689 32.8-109.2-140.0-165.0 45.4 28.1 -12.5 27 27 A Y E -B 33 0B 65 6,-0.3 6,-0.2 -2,-0.2 2,-0.1 -0.946 9.7-125.5-137.5 149.8 43.4 30.4 -10.3 28 28 A D > - 0 0 61 4,-2.5 3,-2.1 -2,-0.3 6,-0.0 -0.198 55.4 -82.8 -77.4-177.4 39.9 31.6 -9.4 29 29 A E T 3 S+ 0 0 187 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.661 132.2 52.3 -65.3 -20.6 39.0 35.3 -9.5 30 30 A D T 3 S- 0 0 125 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.273 121.1-105.9 -95.8 5.6 40.4 35.7 -5.9 31 31 A G S < S+ 0 0 23 -3,-2.1 2,-0.4 1,-0.3 -16,-0.4 0.486 70.5 146.4 84.4 4.8 43.7 34.1 -6.8 32 32 A I - 0 0 36 -19,-0.1 -4,-2.5 -20,-0.1 -1,-0.3 -0.613 47.1-123.5 -77.7 128.7 43.0 30.8 -5.1 33 33 A A E +B 27 0B 2 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.293 33.2 172.2 -73.5 157.4 44.7 27.9 -7.1 34 34 A Y E -B 26 0B 59 -8,-2.2 -8,-2.3 -29,-0.1 2,-0.7 -0.976 38.5 -99.3-156.3 160.2 43.0 24.9 -8.5 35 35 A V E > > -B 25 0B 0 -2,-0.3 5,-2.0 -10,-0.2 3,-0.9 -0.713 24.6-164.5 -89.3 119.9 43.9 22.0 -10.8 36 36 A T T 3 5S+ 0 0 55 -12,-2.2 3,-0.2 -2,-0.7 -1,-0.1 0.695 78.6 76.8 -76.4 -18.5 42.6 22.6 -14.3 37 37 A L T 3 5S+ 0 0 45 -13,-0.7 -1,-0.2 1,-0.2 -12,-0.1 0.814 122.1 0.5 -58.1 -29.4 43.1 19.0 -15.4 38 38 A D T X 5S- 0 0 18 -3,-0.9 3,-1.0 6,-0.1 -1,-0.2 0.073 105.2 -93.2-156.5 26.0 39.9 18.0 -13.5 39 39 A D T 3 5S- 0 0 109 -4,-0.5 -3,-0.2 1,-0.3 -34,-0.0 0.868 85.1 -59.1 54.6 40.8 38.3 21.0 -11.8 40 40 A N T 3 > - 0 0 59 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.273 26.5-121.5 -51.6 140.1 50.3 13.3 -18.1 48 48 A D G >4 S+ 0 0 135 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.859 112.3 57.9 -51.1 -42.6 53.8 11.7 -17.8 49 49 A I G 34 S+ 0 0 160 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.656 107.5 48.9 -67.0 -16.0 55.4 14.6 -19.6 50 50 A L G <> S+ 0 0 26 -3,-2.2 4,-2.5 1,-0.1 -1,-0.3 0.388 82.6 93.4-100.5 -1.9 53.9 17.0 -16.9 51 51 A I H S+ 0 0 115 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.934 111.4 47.0 -64.3 -41.1 58.3 17.1 -13.4 53 53 A D H > S+ 0 0 52 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.912 110.4 54.0 -61.9 -43.2 56.4 20.4 -13.6 54 54 A M H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.929 108.8 48.0 -54.9 -47.1 53.8 19.0 -11.0 55 55 A M H X S+ 0 0 50 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.878 108.7 54.1 -67.4 -34.4 56.7 18.2 -8.6 56 56 A D H X S+ 0 0 79 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.938 113.4 42.5 -57.9 -49.4 58.2 21.6 -9.0 57 57 A A H X S+ 0 0 3 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.925 115.8 49.0 -64.7 -44.3 54.8 23.2 -8.1 58 58 A F H < S+ 0 0 67 -4,-2.9 3,-0.3 1,-0.2 8,-0.2 0.921 115.3 43.0 -61.2 -49.0 54.2 20.7 -5.3 59 59 A E H < S+ 0 0 136 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.819 116.2 49.6 -69.5 -30.5 57.7 21.2 -3.7 60 60 A G H < S+ 0 0 49 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.694 76.5 113.5 -80.5 -22.1 57.6 25.0 -4.2 61 61 A C >< - 0 0 18 -4,-1.4 3,-1.3 -3,-0.3 -4,-0.0 -0.316 59.3-148.3 -63.2 124.1 54.2 25.7 -2.6 62 62 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -51,-0.0 0.814 93.3 38.7 -65.1 -32.3 54.9 27.7 0.5 63 63 A T T 3 S- 0 0 51 -53,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.207 106.1-117.6-105.3 13.2 51.9 26.4 2.5 64 64 A D < + 0 0 107 -3,-1.3 -53,-0.1 -6,-0.1 -6,-0.0 0.789 69.1 140.6 56.9 32.5 51.9 22.8 1.3 65 65 A S + 0 0 2 -55,-0.1 -58,-2.9 -59,-0.1 2,-0.4 0.752 45.2 81.4 -80.4 -27.2 48.5 23.3 -0.2 66 66 A I E -A 6 0A 4 -60,-0.2 2,-0.3 -8,-0.2 -60,-0.2 -0.707 68.0-161.6 -80.5 130.6 49.2 21.3 -3.3 67 67 A K E -A 5 0A 44 -62,-2.8 -62,-1.5 -2,-0.4 2,-0.3 -0.860 8.2-168.3-111.8 149.1 48.8 17.6 -2.7 68 68 A V E +A 4 0A 36 -2,-0.3 2,-0.3 -64,-0.2 -64,-0.2 -0.992 14.6 160.8-133.9 141.7 50.2 14.7 -4.8 69 69 A A E -A 3 0A 12 -66,-2.0 -66,-2.4 -2,-0.3 4,-0.1 -0.976 46.1-124.5-154.3 167.7 49.3 11.0 -4.6 70 70 A D S S+ 0 0 85 -2,-0.3 -66,-0.1 -68,-0.2 -68,-0.0 0.397 98.5 49.1 -96.6 0.9 49.4 7.7 -6.5 71 71 A E S S- 0 0 120 -68,-0.1 -68,-0.2 -29,-0.0 -2,-0.0 -0.941 100.4 -85.9-133.8 156.3 45.5 7.2 -6.1 72 72 A P - 0 0 28 0, 0.0 -29,-0.2 0, 0.0 -30,-0.1 -0.228 19.9-145.8 -65.7 155.7 42.7 9.6 -6.8 73 73 A F > - 0 0 5 -31,-2.5 3,-2.0 -32,-0.1 -31,-0.2 0.633 21.7-147.4 -89.8 -20.1 41.5 12.1 -4.2 74 74 A D T 3 S- 0 0 109 -32,-0.7 -32,-0.2 1,-0.3 -31,-0.1 0.889 73.4 -46.5 46.2 49.5 37.8 11.9 -5.4 75 75 A G T 3 S+ 0 0 29 -34,-2.7 -1,-0.3 1,-0.1 -33,-0.1 0.265 117.1 106.4 89.9 -13.1 37.3 15.5 -4.4 76 76 A D X - 0 0 77 -3,-2.0 3,-1.8 -35,-0.2 4,-0.2 -0.878 46.4-168.9-109.3 104.0 38.9 15.6 -1.0 77 77 A P T 3 S+ 0 0 23 0, 0.0 3,-0.3 0, 0.0 -70,-0.1 0.696 91.8 51.0 -61.6 -21.0 42.3 17.3 -0.8 78 78 A N T > S+ 0 0 53 1,-0.2 3,-1.8 -5,-0.1 -71,-0.0 0.183 72.8 116.4-103.3 18.4 42.8 15.8 2.7 79 79 A K T < S+ 0 0 84 -3,-1.8 -1,-0.2 1,-0.3 -6,-0.0 0.828 76.5 46.7 -51.7 -42.5 42.0 12.2 1.8 80 80 A F T 3 0 0 104 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.257 360.0 360.0 -95.6 11.7 45.5 10.9 2.6 81 81 A E < 0 0 176 -3,-1.8 -1,-0.2 0, 0.0 -2,-0.2 0.568 360.0 360.0 -91.1 360.0 45.9 12.7 5.9