==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON-SULFUR PROTEIN 12-APR-00 1E10 . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM HALOBIUM; . AUTHOR B.-L.MARG,K.SCHWEIMER,D.OESTERHELT,P.ROESCH,H.STICHT . 128 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 10.9 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 . 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 . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.1 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 3 0 1 0 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 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 53 0, 0.0 41,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 94.5 2.8 7.3 30.3 2 2 A T E -Ab 41 110A 23 107,-1.3 109,-2.1 39,-0.2 2,-0.4 -0.925 360.0-167.7-120.2 144.3 1.0 10.7 30.3 3 3 A V E -Ab 40 111A 1 37,-3.1 37,-3.2 -2,-0.4 2,-0.6 -0.980 16.7-138.6-132.3 124.5 -0.7 12.4 27.4 4 4 A E E -Ab 39 112A 23 107,-1.2 109,-2.6 -2,-0.4 2,-0.4 -0.686 18.9-158.4 -83.9 122.4 -1.9 16.1 27.4 5 5 A Y E -Ab 38 113A 7 33,-2.5 33,-1.5 -2,-0.6 2,-0.4 -0.828 8.9-173.6-101.9 135.7 -5.3 16.5 25.8 6 6 A L E -Ab 37 114A 4 107,-2.0 109,-1.5 -2,-0.4 2,-0.3 -0.975 29.5-118.2-131.0 124.1 -6.4 20.0 24.5 7 7 A N E >> - b 0 115A 4 29,-1.7 4,-1.0 -2,-0.4 3,-0.7 -0.385 17.0-147.5 -59.5 117.8 -9.9 20.8 23.2 8 8 A Y H 3> S+ 0 0 46 107,-2.2 4,-1.1 -2,-0.3 3,-0.3 0.838 98.8 61.1 -57.9 -28.1 -9.3 21.9 19.5 9 9 A E H 3> S+ 0 0 81 106,-0.3 4,-2.4 1,-0.2 3,-0.4 0.914 96.8 57.0 -66.5 -39.1 -12.3 24.2 20.0 10 10 A T H <> S+ 0 0 7 -3,-0.7 4,-1.9 1,-0.2 6,-0.4 0.811 98.6 63.7 -62.4 -25.2 -10.4 26.1 22.8 11 11 A L H <>S+ 0 0 21 -4,-1.0 5,-1.5 -3,-0.3 4,-0.4 0.930 111.2 34.1 -66.0 -42.6 -7.7 26.7 20.2 12 12 A D H <5S+ 0 0 105 -4,-1.1 3,-0.4 -3,-0.4 -2,-0.2 0.962 119.9 48.4 -77.6 -53.2 -10.0 28.8 18.0 13 13 A D H <5S+ 0 0 135 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.967 116.9 42.2 -51.5 -56.8 -12.1 30.4 20.8 14 14 A Q T <5S- 0 0 60 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.748 104.7-137.5 -63.9 -18.7 -9.0 31.4 22.8 15 15 A G T 5 + 0 0 52 -3,-0.4 -3,-0.2 -4,-0.4 -4,-0.1 0.897 56.3 136.5 64.7 36.7 -7.4 32.5 19.4 16 16 A W < - 0 0 89 -5,-1.5 2,-0.2 -6,-0.4 -1,-0.1 -0.383 52.3-108.2-104.3-173.4 -4.1 30.8 20.4 17 17 A D - 0 0 65 -2,-0.1 6,-0.8 1,-0.1 -1,-0.1 -0.716 15.6-125.3-113.8 167.0 -1.7 28.6 18.5 18 18 A M S S+ 0 0 40 -2,-0.2 6,-0.4 4,-0.1 -1,-0.1 0.876 106.7 1.8 -79.9 -37.3 -0.9 24.9 18.8 19 19 A D S S+ 0 0 109 3,-0.1 -1,-0.1 4,-0.1 57,-0.0 0.486 122.1 71.9-126.1 -10.3 2.9 25.3 19.3 20 20 A D S S+ 0 0 108 1,-0.2 -2,-0.1 2,-0.0 -4,-0.0 0.991 113.8 20.1 -71.4 -72.2 3.4 29.1 19.3 21 21 A D S S- 0 0 54 1,-0.1 5,-0.5 4,-0.0 -1,-0.2 0.329 104.6-122.9 -80.2 12.3 1.9 30.2 22.6 22 22 A D >> - 0 0 61 3,-0.1 3,-3.8 1,-0.1 4,-2.5 0.946 31.1-167.6 46.8 53.4 2.3 26.6 23.9 23 23 A L H 3> S+ 0 0 3 -6,-0.8 4,-3.6 1,-0.3 5,-0.4 0.873 83.9 63.5 -39.5 -44.1 -1.4 26.4 24.7 24 24 A F H 34 S+ 0 0 1 -6,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.829 114.8 32.7 -54.2 -27.8 -0.7 23.2 26.6 25 25 A E H <4 S+ 0 0 116 -3,-3.8 4,-0.4 -4,-0.1 3,-0.3 0.817 121.5 46.4 -97.6 -38.2 1.4 25.5 28.9 26 26 A K H >X S+ 0 0 95 -4,-2.5 3,-1.6 -5,-0.5 4,-0.7 0.864 103.1 64.1 -73.7 -33.1 -0.6 28.7 28.8 27 27 A A H >X>S+ 0 0 0 -4,-3.6 4,-1.2 -5,-0.4 3,-0.6 0.835 97.5 57.9 -60.3 -27.9 -4.0 26.9 29.3 28 28 A A H 345S+ 0 0 66 -5,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.713 100.3 57.7 -75.5 -17.0 -2.7 25.9 32.7 29 29 A D H <45S+ 0 0 140 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.644 117.7 30.8 -86.7 -13.5 -2.2 29.6 33.6 30 30 A A H <<5S- 0 0 76 -4,-0.7 -2,-0.2 -3,-0.6 -3,-0.1 0.787 96.8-124.3-106.4 -72.6 -5.9 30.4 32.9 31 31 A G T <5 - 0 0 65 -4,-1.2 -3,-0.1 2,-0.1 3,-0.1 0.619 32.1-178.9 122.6 70.9 -8.2 27.4 33.7 32 32 A L < - 0 0 40 -5,-0.5 2,-0.2 1,-0.2 5,-0.1 -0.207 54.4 -45.7 -86.8-176.0 -10.4 26.3 30.7 33 33 A D >> - 0 0 106 1,-0.2 3,-3.9 2,-0.1 4,-2.2 -0.289 51.7-142.8 -52.3 112.6 -12.9 23.4 30.8 34 34 A G T 34 S+ 0 0 48 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.867 104.4 58.0 -48.4 -33.7 -11.0 20.6 32.5 35 35 A E T 34 S+ 0 0 94 1,-0.2 -1,-0.3 22,-0.0 23,-0.3 0.635 110.5 44.1 -73.1 -9.8 -12.8 18.3 30.1 36 36 A D T <4 S+ 0 0 18 -3,-3.9 -29,-1.7 1,-0.3 2,-0.3 0.821 124.1 19.7-101.0 -42.6 -11.2 20.4 27.2 37 37 A Y E < S+A 6 0A 25 -4,-2.2 -1,-0.3 -31,-0.3 2,-0.2 -0.956 77.4 104.6-129.5 148.8 -7.6 20.8 28.4 38 38 A G E -A 5 0A 12 -33,-1.5 -33,-2.5 -2,-0.3 2,-0.7 -0.801 68.2 -78.6 157.6 160.5 -5.5 18.8 31.0 39 39 A T E -A 4 0A 81 -35,-0.3 -35,-0.3 -2,-0.2 2,-0.2 -0.731 44.6-150.1 -87.1 116.7 -2.7 16.2 31.3 40 40 A M E -A 3 0A 2 -37,-3.2 -37,-3.1 -2,-0.7 2,-0.4 -0.578 8.8-163.5 -84.7 148.2 -4.1 12.7 30.6 41 41 A E E +A 2 0A 143 -39,-0.3 2,-0.4 -2,-0.2 -39,-0.2 -0.925 18.4 157.0-135.6 112.9 -2.4 9.7 32.3 42 42 A V - 0 0 8 -41,-1.7 3,-0.1 -2,-0.4 6,-0.1 -0.989 45.8 -99.2-136.1 144.7 -3.0 6.1 31.2 43 43 A A > - 0 0 53 -2,-0.4 3,-2.0 1,-0.1 2,-0.3 -0.230 53.0 -93.2 -57.4 147.4 -0.9 2.9 31.6 44 44 A E T 3 S+ 0 0 122 1,-0.2 -1,-0.1 61,-0.1 3,-0.1 -0.462 115.4 27.2 -65.6 122.9 1.2 2.1 28.5 45 45 A G T 3 S+ 0 0 42 1,-0.4 2,-0.5 -2,-0.3 -1,-0.2 0.185 91.9 117.5 110.3 -16.6 -0.9 -0.3 26.3 46 46 A E S < S- 0 0 96 -3,-2.0 -1,-0.4 1,-0.1 2,-0.1 -0.707 79.6-103.1 -87.0 129.4 -4.3 1.0 27.5 47 47 A Y > - 0 0 116 -2,-0.5 4,-3.1 58,-0.1 3,-0.5 -0.260 28.6-144.3 -50.7 117.1 -6.4 2.6 24.7 48 48 A I H >>S+ 0 0 3 56,-2.5 4,-3.2 1,-0.2 5,-0.6 0.971 98.8 54.1 -49.8 -63.2 -6.1 6.3 25.4 49 49 A L H >5S+ 0 0 5 52,-1.9 4,-1.7 55,-0.4 -1,-0.2 0.860 114.6 44.6 -41.5 -38.0 -9.7 7.1 24.4 50 50 A E H >5S+ 0 0 92 52,-0.5 4,-1.6 -3,-0.5 -1,-0.2 0.970 111.2 49.5 -74.3 -53.7 -10.7 4.5 26.9 51 51 A A H <5S+ 0 0 14 -4,-3.1 4,-0.5 1,-0.2 -2,-0.2 0.909 120.5 38.7 -52.8 -40.6 -8.3 5.6 29.7 52 52 A A H >X>S+ 0 0 0 -4,-3.2 5,-1.9 -5,-0.3 3,-1.0 0.839 105.5 66.4 -80.1 -31.9 -9.6 9.2 29.3 53 53 A E H 3<> - 0 0 38 1,-0.1 3,-2.0 -4,-0.0 4,-1.2 -0.998 17.6-128.4-139.8 139.0 -0.4 8.5 5.6 90 90 A D H >> S+ 0 0 120 -2,-0.4 4,-1.8 1,-0.3 3,-0.5 0.902 110.6 64.0 -51.8 -39.8 2.6 9.9 7.5 91 91 A E H 3>>S+ 0 0 113 1,-0.3 4,-2.9 2,-0.2 5,-0.5 0.835 99.1 55.6 -55.5 -28.0 1.9 13.3 5.8 92 92 A E H <>>S+ 0 0 55 -3,-2.0 4,-1.4 1,-0.2 6,-1.3 0.895 108.5 45.1 -73.1 -37.8 -1.4 13.2 7.7 93 93 A V H <<5S+ 0 0 35 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.724 121.6 40.2 -77.9 -18.8 0.3 12.8 11.1 94 94 A E H <5S+ 0 0 146 -4,-1.8 -2,-0.2 2,-0.1 -3,-0.2 0.838 128.1 28.6 -96.5 -40.6 2.8 15.5 10.1 95 95 A E H <5S+ 0 0 140 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.734 142.8 19.4 -92.0 -23.6 0.5 18.0 8.4 96 96 A K T < + 0 0 16 -44,-0.2 3,-1.6 -2,-0.2 -1,-0.2 0.917 60.9 163.9 65.8 41.3 -12.8 16.8 19.6 117 117 A A G > + 0 0 3 -45,-1.9 3,-4.5 -3,-0.3 -44,-0.2 0.773 53.7 93.7 -63.2 -20.5 -11.2 17.4 16.2 118 118 A K G 3 S+ 0 0 98 -46,-0.4 -1,-0.3 1,-0.3 5,-0.2 0.813 71.5 70.8 -42.5 -28.9 -14.7 17.0 14.8 119 119 A H G < S+ 0 0 46 -3,-1.6 -1,-0.3 4,-0.1 -2,-0.2 0.790 74.0 116.5 -62.3 -23.0 -14.9 20.8 15.0 120 120 A L S X> S- 0 0 28 -3,-4.5 4,-1.7 -4,-0.2 3,-0.7 0.008 74.1-128.8 -41.8 152.7 -12.4 20.9 12.1 121 121 A D H 3> S+ 0 0 108 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.723 102.1 74.9 -81.7 -19.4 -13.8 22.6 9.0 122 122 A Y H 34 S+ 0 0 189 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.621 115.6 20.7 -68.0 -7.8 -12.8 19.6 6.8 123 123 A L H X4 S+ 0 0 57 -3,-0.7 3,-1.0 -5,-0.2 -2,-0.2 0.581 99.6 86.8-129.7 -29.7 -15.8 17.7 8.4 124 124 A Q H >< S+ 0 0 95 -4,-1.7 3,-1.4 1,-0.3 4,-0.4 0.886 94.6 50.8 -42.4 -43.0 -18.1 20.4 9.8 125 125 A N T 3< S+ 0 0 121 -4,-0.8 3,-0.5 1,-0.3 -1,-0.3 0.893 110.0 48.7 -65.8 -37.1 -19.7 20.5 6.3 126 126 A R T < S+ 0 0 205 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.129 83.4 101.9 -89.5 24.6 -20.1 16.7 6.3 127 127 A V < 0 0 96 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 0.939 360.0 360.0 -73.5 -45.4 -21.7 16.8 9.8 128 128 A I 0 0 208 -3,-0.5 0, 0.0 -4,-0.4 0, 0.0 -0.130 360.0 360.0 -73.3 360.0 -25.3 16.4 8.6