==== 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 ELECTRON TRANSPORT 11-APR-00 1E0Z . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARIUM; . AUTHOR K.SCHWEIMER,B.MARG,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) . 7556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 56.2 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 . 13 10.2 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 . 6 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 4.7 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 2 1 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 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 . 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 81 0, 0.0 41,-1.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 60.1 -18.7 -15.0 12.5 2 2 A T E +Ab 41 110A 57 107,-2.7 109,-1.3 39,-0.2 2,-0.3 -0.934 360.0 164.9-118.0 137.1 -17.1 -12.2 14.5 3 3 A V E -Ab 40 111A 9 37,-1.9 37,-2.0 -2,-0.4 2,-0.5 -0.943 27.2-138.3-142.5 164.5 -13.7 -12.3 16.1 4 4 A E E -Ab 39 112A 25 107,-2.1 109,-2.0 35,-0.3 2,-0.3 -0.915 15.5-159.1-130.9 109.8 -11.2 -9.8 17.7 5 5 A Y E -Ab 38 113A 4 33,-1.8 33,-1.6 -2,-0.5 2,-0.4 -0.627 9.8-168.9 -87.3 145.0 -7.5 -10.1 16.9 6 6 A L E - b 0 114A 6 107,-1.3 109,-3.1 -2,-0.3 2,-0.8 -0.984 28.2-112.7-133.7 144.3 -4.9 -8.5 19.3 7 7 A N E > - b 0 115A 8 29,-0.4 4,-1.7 -2,-0.4 3,-0.4 -0.615 20.1-160.1 -76.8 109.5 -1.1 -7.9 18.9 8 8 A Y H > S+ 0 0 30 107,-2.0 4,-1.6 -2,-0.8 -1,-0.2 0.893 93.6 57.1 -57.1 -35.2 0.6 -10.2 21.4 9 9 A E H > S+ 0 0 66 106,-0.4 4,-3.1 1,-0.2 5,-0.3 0.914 102.1 54.3 -63.3 -39.7 3.6 -8.0 21.1 10 10 A T H > S+ 0 0 10 -3,-0.4 4,-2.2 1,-0.2 5,-0.3 0.899 103.6 56.4 -62.4 -37.2 1.5 -4.9 22.1 11 11 A L H X>S+ 0 0 20 -4,-1.7 5,-1.9 2,-0.2 4,-0.7 0.920 115.9 36.3 -62.0 -40.4 0.4 -6.7 25.3 12 12 A D H <5S+ 0 0 71 -4,-1.6 3,-0.4 3,-0.2 -2,-0.2 0.970 115.5 51.9 -77.2 -55.8 4.1 -7.2 26.3 13 13 A D H <5S+ 0 0 117 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.941 117.8 39.3 -45.5 -55.0 5.5 -3.9 25.1 14 14 A Q H <5S- 0 0 88 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.787 107.5-133.0 -68.3 -23.4 2.8 -2.0 27.0 15 15 A G T <5 + 0 0 53 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.875 52.1 150.9 74.8 35.2 3.1 -4.5 29.9 16 16 A W < - 0 0 113 -5,-1.9 2,-0.2 -6,-0.3 -1,-0.1 -0.126 46.5 -93.0 -86.8-170.2 -0.7 -4.9 30.1 17 17 A D - 0 0 72 1,-0.1 6,-0.3 -2,-0.0 -1,-0.1 -0.556 24.4-118.3-101.6 170.1 -2.5 -8.0 31.4 18 18 A M S S- 0 0 95 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 0.921 104.3 -12.9 -74.7 -42.7 -3.9 -11.0 29.3 19 19 A D S S+ 0 0 104 3,-0.1 -1,-0.1 4,-0.1 -3,-0.0 0.229 117.3 88.6-142.5 12.4 -7.5 -10.4 30.3 20 20 A D S S+ 0 0 117 1,-0.2 -2,-0.0 2,-0.0 -4,-0.0 0.969 98.4 32.0 -79.3 -57.7 -7.3 -7.9 33.2 21 21 A D S >S- 0 0 51 1,-0.0 5,-0.5 4,-0.0 -1,-0.2 0.432 106.9-124.9 -79.8 5.5 -7.4 -4.6 31.4 22 22 A D T >>> - 0 0 72 3,-0.1 3,-4.2 1,-0.1 4,-2.6 0.951 32.5-172.2 52.2 50.3 -9.6 -6.2 28.7 23 23 A L H 3>5S+ 0 0 13 1,-0.3 4,-2.6 -6,-0.3 5,-0.3 0.878 81.5 64.5 -41.7 -42.7 -7.2 -5.2 26.0 24 24 A F H 345S+ 0 0 3 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.767 118.1 27.0 -56.5 -20.0 -9.8 -6.5 23.5 25 25 A E H X45S+ 0 0 107 -3,-4.2 3,-0.7 -4,-0.1 4,-0.4 0.796 123.7 45.7-108.5 -49.5 -12.0 -3.7 24.8 26 26 A K H >XXXS+ 0 0 6 -4,-2.6 3,-1.7 -5,-0.5 4,-1.4 0.909 86.9 63.2 -61.6 -39.0 -7.6 -1.4 22.9 28 28 A A H <45S+ 0 0 57 -3,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.787 103.7 50.2 -57.6 -22.6 -10.4 0.3 20.9 29 29 A D H <45S+ 0 0 135 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.615 103.9 58.6 -90.9 -11.8 -9.7 3.4 23.0 30 30 A A H <<5S- 0 0 59 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.2 0.742 89.4-147.3 -87.8 -23.1 -5.9 3.2 22.3 31 31 A G T <5 + 0 0 63 -4,-1.4 3,-0.1 2,-0.1 -3,-0.1 0.863 34.6 172.3 60.8 32.0 -6.4 3.5 18.5 32 32 A L < - 0 0 58 -5,-0.6 2,-0.1 1,-0.2 4,-0.0 0.136 47.0 -53.9 -59.1-172.5 -3.3 1.3 18.1 33 33 A D >> - 0 0 101 1,-0.2 3,-2.2 2,-0.1 4,-1.8 -0.413 45.5-130.2 -67.3 140.0 -2.3 -0.0 14.6 34 34 A G T 34 S+ 0 0 35 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.816 108.8 65.1 -61.6 -25.7 -5.2 -1.9 12.9 35 35 A E T 34 S+ 0 0 70 1,-0.2 -1,-0.3 22,-0.1 23,-0.2 0.473 108.6 40.5 -76.3 2.9 -2.6 -4.7 12.2 36 36 A D T <4 S+ 0 0 25 -3,-2.2 -29,-0.4 1,-0.4 2,-0.4 0.733 124.3 16.9-116.0 -46.4 -2.5 -5.2 16.0 37 37 A Y S < S+ 0 0 32 -4,-1.8 -1,-0.4 -31,-0.3 2,-0.3 -0.988 76.4 109.3-132.9 139.5 -6.1 -4.9 17.3 38 38 A G E -A 5 0A 9 -33,-1.6 -33,-1.8 -2,-0.4 2,-0.7 -0.929 66.1 -79.6 171.0 166.1 -9.4 -5.0 15.5 39 39 A T E -A 4 0A 75 -2,-0.3 2,-0.6 -35,-0.2 -35,-0.3 -0.757 40.9-153.5 -90.0 114.4 -12.6 -7.1 14.9 40 40 A M E -A 3 0A 2 -37,-2.0 -37,-1.9 -2,-0.7 2,-0.7 -0.751 4.1-156.4 -89.8 122.3 -11.9 -9.9 12.5 41 41 A E E +A 2 0A 147 -2,-0.6 2,-0.4 -39,-0.2 -39,-0.2 -0.845 22.3 163.4-100.4 116.1 -15.0 -11.1 10.6 42 42 A V - 0 0 3 -41,-1.2 3,-0.1 -2,-0.7 6,-0.1 -0.980 25.9-142.7-135.2 126.9 -14.7 -14.7 9.2 43 43 A A > - 0 0 48 -2,-0.4 3,-1.8 1,-0.1 2,-0.4 -0.302 44.5 -76.3 -79.4 169.5 -17.6 -16.9 8.0 44 44 A E T 3 S+ 0 0 123 1,-0.3 -1,-0.1 61,-0.1 3,-0.1 -0.496 122.9 25.8 -68.3 123.1 -17.7 -20.7 8.7 45 45 A G T 3 S+ 0 0 64 -2,-0.4 2,-0.5 1,-0.3 -1,-0.3 0.411 96.2 114.6 104.3 -1.1 -15.3 -22.4 6.3 46 46 A E < - 0 0 99 -3,-1.8 -1,-0.3 60,-0.2 2,-0.2 -0.872 68.0-122.9-105.9 132.2 -13.0 -19.3 5.9 47 47 A Y > - 0 0 108 -2,-0.5 4,-2.9 1,-0.1 3,-0.3 -0.490 16.1-135.7 -71.6 135.7 -9.4 -19.4 7.1 48 48 A I H >>S+ 0 0 11 56,-1.9 4,-2.7 1,-0.2 5,-0.5 0.988 104.9 48.7 -54.6 -70.0 -8.6 -16.6 9.6 49 49 A L H >5S+ 0 0 5 52,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.790 115.3 51.3 -42.9 -25.8 -5.3 -15.5 8.2 50 50 A E H >5S+ 0 0 102 51,-0.4 4,-1.5 -3,-0.3 -1,-0.2 0.953 110.4 42.9 -79.8 -52.7 -7.2 -15.5 4.9 51 51 A A H <5S+ 0 0 13 -4,-2.9 4,-0.2 1,-0.2 -2,-0.2 0.897 120.8 43.4 -61.7 -37.9 -10.2 -13.3 5.9 52 52 A A H >X>S+ 0 0 0 -4,-2.7 5,-2.2 -5,-0.3 4,-1.6 0.858 107.8 58.8 -77.1 -33.2 -7.9 -10.9 7.8 53 53 A E H 3< S+ 0 0 29 -2,-0.2 3,-2.2 1,-0.1 30,-0.1 0.272 73.1 108.3-125.2 11.8 3.5 -23.3 14.8 70 70 A N T 3 S+ 0 0 80 1,-0.3 48,-0.4 47,-0.1 47,-0.1 0.902 87.3 46.3 -57.4 -37.7 5.1 -20.2 13.2 71 71 A C T 3 S+ 0 0 2 46,-0.1 30,-0.6 -12,-0.1 -1,-0.3 0.284 88.3 149.2 -87.2 13.3 1.5 -18.8 12.7 72 72 A A < + 0 0 7 -3,-2.2 45,-1.8 28,-0.1 46,-0.4 -0.005 21.2 179.0 -44.5 151.6 0.7 -19.7 16.3 73 73 A S - 0 0 1 26,-0.4 42,-0.2 43,-0.2 -1,-0.1 -0.630 30.2-117.9-138.9-162.6 -1.8 -17.4 18.1 74 74 A I E -C 114 0A 9 40,-1.4 40,-0.9 -2,-0.2 24,-0.3 -0.467 18.9-153.5-148.0 73.0 -3.5 -17.1 21.5 75 75 A V E -C 113 0A 9 22,-2.4 38,-0.4 38,-0.3 3,-0.1 -0.236 7.7-168.9 -48.8 113.3 -7.3 -17.4 21.4 76 76 A K E - 0 0 39 36,-0.9 2,-0.3 1,-0.2 37,-0.2 0.633 66.6 -17.4 -83.7 -11.1 -8.3 -15.5 24.4 77 77 A E E S+C 112 0A 97 35,-2.3 35,-1.7 20,-0.1 -1,-0.2 -0.974 101.6 50.8-178.3 167.1 -11.9 -16.8 24.2 78 78 A G S S- 0 0 38 33,-0.3 2,-0.3 -2,-0.3 33,-0.2 -0.480 79.2 -82.6 87.3-162.5 -14.5 -18.4 21.9 79 79 A E - 0 0 117 31,-0.1 28,-2.0 -2,-0.1 29,-1.1 -1.000 31.1-159.0-146.3 143.9 -13.7 -21.6 19.9 80 80 A I E -D 106 0B 15 -2,-0.3 2,-0.4 26,-0.3 -2,-0.0 -0.942 17.0-129.9-124.6 146.1 -11.9 -22.4 16.6 81 81 A D E -D 105 0B 93 24,-4.7 24,-2.4 -2,-0.4 2,-0.2 -0.775 24.6-165.8 -95.5 134.5 -12.2 -25.5 14.4 82 82 A M - 0 0 45 -2,-0.4 22,-0.1 22,-0.2 2,-0.1 -0.517 19.6-106.6-108.5-179.9 -8.9 -27.2 13.2 83 83 A D - 0 0 51 20,-0.2 2,-2.8 -2,-0.2 -1,-0.1 -0.355 55.8 -65.8 -98.1-176.7 -8.2 -29.8 10.5 84 84 A M S S+ 0 0 192 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.364 107.6 72.7 -69.4 75.0 -7.4 -33.5 10.8 85 85 A Q - 0 0 94 -2,-2.8 -18,-0.1 -18,-0.0 -2,-0.0 -0.982 54.1-161.2-173.7 166.2 -4.0 -32.9 12.5 86 86 A Q + 0 0 149 -2,-0.3 4,-0.1 -4,-0.1 -19,-0.1 -0.414 26.3 150.0-162.1 78.4 -2.4 -31.8 15.8 87 87 A I + 0 0 70 -21,-0.3 -18,-0.1 -19,-0.1 -20,-0.1 0.775 62.2 77.8 -84.6 -25.2 1.2 -30.6 15.7 88 88 A L S S- 0 0 15 -20,-0.1 2,-0.4 1,-0.1 3,-0.0 -0.350 90.1-107.5 -78.5 164.4 0.8 -28.2 18.7 89 89 A S >> - 0 0 63 1,-0.1 3,-2.7 -2,-0.1 4,-1.5 -0.786 17.7-126.8 -96.3 133.3 0.6 -29.5 22.3 90 90 A D H 3> S+ 0 0 108 -2,-0.4 4,-1.6 1,-0.3 5,-0.4 0.857 111.8 66.8 -44.0 -33.8 -2.7 -29.6 24.1 91 91 A E H 3>>S+ 0 0 109 1,-0.2 4,-3.6 2,-0.2 5,-0.7 0.901 101.6 46.1 -57.1 -37.4 -0.8 -27.6 26.8 92 92 A E H <>>S+ 0 0 54 -3,-2.7 6,-2.7 3,-0.2 5,-0.6 0.842 111.8 51.0 -74.8 -30.8 -0.5 -24.8 24.3 93 93 A V H <5S+ 0 0 43 -4,-1.5 -2,-0.2 4,-0.3 -1,-0.2 0.674 127.2 24.7 -79.6 -14.8 -4.2 -25.0 23.4 94 94 A E H <5S+ 0 0 148 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.674 133.2 34.4-117.8 -33.1 -5.2 -24.9 27.0 95 95 A E H <5S+ 0 0 113 -4,-3.6 -3,-0.2 -5,-0.4 -2,-0.1 0.713 139.2 17.2 -96.3 -22.8 -2.3 -23.1 28.7 96 96 A K T < + 0 0 15 -44,-0.3 3,-1.2 -2,-0.2 -1,-0.2 0.973 58.0 169.2 72.8 54.7 1.7 -12.8 16.1 117 117 A A G > + 0 0 2 -45,-1.8 3,-4.3 1,-0.2 6,-0.2 0.806 61.0 86.8 -70.1 -25.3 2.3 -15.4 18.8 118 118 A X G 3 S+ 0 0 142 -46,-0.4 -1,-0.2 -48,-0.4 6,-0.2 0.804 75.1 72.9 -45.1 -25.3 5.9 -15.8 17.6 119 119 A H G < + 0 0 17 -3,-1.2 -1,-0.3 4,-0.1 -2,-0.2 0.776 69.6 121.3 -63.4 -21.8 6.6 -12.9 19.9 120 120 A L S X> S- 0 0 25 -3,-4.3 4,-2.3 1,-0.2 3,-1.2 -0.072 74.0-127.1 -41.5 136.8 6.1 -15.4 22.8 121 121 A D H 3> S+ 0 0 107 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.766 107.2 67.6 -63.3 -21.0 9.3 -15.4 24.9 122 122 A Y H 34 S+ 0 0 187 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.830 111.1 31.8 -69.6 -28.5 9.4 -19.2 24.5 123 123 A L H X4 S+ 0 0 65 -3,-1.2 3,-4.3 -6,-0.2 4,-0.4 0.803 98.7 79.8 -97.0 -35.1 10.1 -18.8 20.7 124 124 A Q H >< S+ 0 0 94 -4,-2.3 3,-1.7 1,-0.3 -2,-0.1 0.811 83.5 69.9 -42.8 -28.9 12.1 -15.6 20.8 125 125 A N T 3< S+ 0 0 143 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.741 80.3 75.1 -65.1 -18.6 15.0 -17.8 21.8 126 126 A R T < + 0 0 211 -3,-4.3 -1,-0.3 -4,-0.0 -2,-0.2 0.733 67.8 118.4 -66.9 -17.6 15.0 -19.3 18.3 127 127 A V < 0 0 112 -3,-1.7 -3,-0.0 -4,-0.4 0, 0.0 -0.208 360.0 360.0 -49.8 132.8 16.6 -16.1 17.1 128 128 A I 0 0 223 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.205 360.0 360.0 -89.7 360.0 20.0 -16.9 15.6