==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 14-AUG-97 1QOF . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR H.M.HOLDEN,M.M.BENNING . 196 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 1 0.5 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 . 17 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 2 0 2 0 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 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 PARALLEL BRIDGES PER LADDER . 0 2 4 0 0 0 0 2 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 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 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 81 0, 0.0 21,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.6 10.1 -7.9 38.8 2 2 A T E -A 21 0A 87 19,-0.2 2,-0.3 20,-0.1 84,-0.1 -1.000 360.0-156.5-131.1 125.0 13.0 -6.4 36.8 3 3 A F E -A 20 0A 39 17,-3.1 17,-3.0 -2,-0.4 2,-0.4 -0.781 16.8-120.7-109.2 151.4 12.6 -5.5 33.1 4 4 A K E -A 19 0A 77 -2,-0.3 83,-2.3 15,-0.2 2,-0.5 -0.729 27.5-166.6 -87.5 132.3 15.1 -5.2 30.4 5 5 A V E -Ab 18 87A 0 13,-3.0 13,-2.9 -2,-0.4 2,-0.6 -0.985 4.9-161.7-125.7 119.4 15.2 -1.8 28.8 6 6 A T E -Ab 17 88A 14 81,-2.6 83,-2.9 -2,-0.5 2,-0.6 -0.880 8.1-158.3-101.5 120.9 16.9 -1.2 25.5 7 7 A L E -Ab 16 89A 2 9,-3.7 9,-2.4 -2,-0.6 2,-0.5 -0.884 6.9-167.1-104.6 124.1 17.7 2.4 24.7 8 8 A I E -Ab 15 90A 39 81,-3.0 83,-2.8 -2,-0.6 2,-0.8 -0.924 13.3-167.9-116.0 126.2 18.3 3.3 21.2 9 9 A N E >> -A 14 0A 21 5,-2.2 5,-1.8 -2,-0.5 4,-1.4 -0.851 8.8-174.4-109.9 92.3 19.8 6.6 20.0 10 10 A E T 45S+ 0 0 103 -2,-0.8 -1,-0.2 81,-0.3 82,-0.1 0.883 79.3 55.2 -54.3 -46.3 19.1 6.7 16.2 11 11 A A T 45S+ 0 0 97 1,-0.2 -1,-0.2 81,-0.1 -2,-0.0 0.940 121.2 29.3 -55.6 -49.6 21.0 9.8 15.5 12 12 A E T 45S- 0 0 137 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.545 103.9-130.3 -87.3 -8.4 24.2 8.5 17.0 13 13 A G T <5 + 0 0 66 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.922 56.8 144.0 57.3 47.4 23.3 4.9 16.2 14 14 A T E < -A 9 0A 43 -5,-1.8 -5,-2.2 2,-0.0 2,-0.4 -0.793 34.0-159.9-115.4 160.2 24.0 3.7 19.8 15 15 A K E -A 8 0A 142 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.986 7.0-177.4-143.7 130.2 22.4 1.1 21.9 16 16 A H E -A 7 0A 60 -9,-2.4 -9,-3.7 -2,-0.4 2,-0.5 -0.984 11.0-155.3-128.8 139.4 22.4 0.6 25.6 17 17 A E E +A 6 0A 105 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.952 20.1 171.5-114.3 127.6 20.8 -2.2 27.6 18 18 A I E -A 5 0A 2 -13,-2.9 -13,-3.0 -2,-0.5 2,-0.5 -0.901 29.5-127.5-132.4 163.0 19.8 -1.7 31.2 19 19 A E E -A 4 0A 92 -2,-0.3 -15,-0.2 -15,-0.2 -2,-0.0 -0.950 28.5-170.3-112.1 126.2 17.9 -3.6 33.9 20 20 A V E -A 3 0A 0 -17,-3.0 -17,-3.1 -2,-0.5 6,-0.1 -0.962 20.4-127.1-127.0 130.3 15.1 -1.7 35.6 21 21 A P E > -A 2 0A 36 0, 0.0 3,-1.8 0, 0.0 -19,-0.2 -0.303 28.4-117.0 -64.9 150.2 13.0 -2.6 38.6 22 22 A D T 3 S+ 0 0 73 -21,-2.4 -20,-0.1 1,-0.3 60,-0.0 0.598 115.6 49.3 -64.6 -10.2 9.3 -2.4 38.2 23 23 A D T 3 S+ 0 0 118 -22,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.061 96.9 83.5-117.5 23.3 9.2 0.4 40.8 24 24 A E S < S- 0 0 35 -3,-1.8 2,-0.1 59,-0.1 56,-0.1 -0.985 79.3-116.1-127.8 138.4 12.0 2.5 39.4 25 25 A Y > - 0 0 52 -2,-0.4 4,-1.9 57,-0.1 57,-0.2 -0.406 25.9-122.2 -68.7 149.4 11.7 5.2 36.7 26 26 A I H > S+ 0 0 0 55,-2.6 4,-2.7 52,-0.2 5,-0.2 0.912 108.4 56.1 -56.7 -47.9 13.6 4.5 33.6 27 27 A L H > S+ 0 0 0 51,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.921 107.4 48.0 -51.6 -49.7 15.6 7.6 33.8 28 28 A D H > S+ 0 0 50 50,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.912 111.5 49.8 -58.8 -45.1 16.9 6.9 37.2 29 29 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.910 108.7 52.4 -62.0 -44.2 17.9 3.4 36.3 30 30 A A H <>S+ 0 0 0 -4,-2.7 5,-3.1 2,-0.2 -1,-0.2 0.942 110.5 47.9 -57.9 -45.7 19.8 4.5 33.2 31 31 A E H ><5S+ 0 0 51 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.932 110.2 51.2 -61.4 -46.4 21.8 7.0 35.2 32 32 A E H 3<5S+ 0 0 133 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.1 52.5 -60.3 -31.4 22.7 4.6 37.9 33 33 A Q T 3<5S- 0 0 78 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.353 128.9 -94.7 -88.7 5.5 23.8 2.2 35.3 34 34 A G T < 5S+ 0 0 58 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.551 86.7 117.8 98.2 8.1 26.1 4.8 33.6 35 35 A Y < - 0 0 79 -5,-3.1 2,-0.3 -6,-0.2 -2,-0.2 -0.896 47.7-154.8-119.0 110.0 24.0 6.3 30.9 36 36 A D - 0 0 141 -2,-0.6 -9,-0.0 -5,-0.1 -5,-0.0 -0.575 15.8-175.9 -78.6 135.9 23.1 9.9 31.0 37 37 A L - 0 0 16 -2,-0.3 12,-0.1 -10,-0.1 -6,-0.0 -0.921 34.0 -85.6-129.3 155.6 19.9 10.9 29.2 38 38 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.242 56.2 150.8 -64.6 143.7 18.4 14.3 28.5 39 39 A F + 0 0 93 9,-0.1 8,-0.0 10,-0.1 0, 0.0 -0.988 20.7 167.5-163.5 163.3 16.2 15.9 31.1 40 40 A S S S+ 0 0 85 -2,-0.3 -1,-0.1 6,-0.0 6,-0.0 0.286 81.6 21.8-139.8 -83.2 15.1 19.2 32.5 41 41 A C S S- 0 0 53 1,-0.1 -2,-0.0 2,-0.0 6,-0.0 0.813 74.6-156.0 -65.8 -34.4 12.1 19.3 34.9 42 42 A R S S+ 0 0 82 1,-0.1 -1,-0.1 -15,-0.0 -3,-0.0 0.681 71.5 90.6 63.3 17.6 12.3 15.7 36.0 43 43 A A S S- 0 0 60 37,-0.0 -1,-0.1 0, 0.0 37,-0.0 0.238 103.8-100.9-131.5 20.3 8.7 15.9 36.8 44 44 A G S S+ 0 0 0 19,-0.1 20,-3.0 20,-0.1 21,-1.1 0.742 93.6 106.5 70.1 27.0 6.7 14.9 33.8 45 45 A A S S+ 0 0 55 19,-0.2 2,-0.3 18,-0.2 -1,-0.1 0.003 72.6 39.8-122.3 23.6 5.8 18.4 32.8 46 46 A C S S- 0 0 25 1,-0.0 19,-0.2 20,-0.0 18,-0.1 -0.873 74.8-117.4-153.9-175.8 8.0 19.0 29.8 47 47 A S S > S+ 0 0 4 -2,-0.3 3,-1.6 1,-0.1 50,-0.1 0.372 78.9 103.3-116.2 7.1 9.3 17.3 26.7 48 48 A T T 3 S+ 0 0 38 1,-0.3 46,-0.3 46,-0.1 44,-0.1 0.845 86.4 42.9 -54.8 -42.3 13.1 17.2 27.4 49 49 A C T 3 S+ 0 0 6 44,-0.1 29,-1.5 -3,-0.1 -1,-0.3 0.202 85.4 147.1 -92.4 15.5 13.2 13.6 28.4 50 50 A A E < +C 77 0A 2 -3,-1.6 43,-2.3 27,-0.2 44,-0.4 -0.209 18.4 173.0 -59.7 138.0 10.9 12.3 25.6 51 51 A G E -C 76 0A 0 25,-2.8 25,-2.4 41,-0.2 2,-0.4 -0.809 25.2-128.0-131.6 171.8 11.4 8.9 24.1 52 52 A K E -CD 75 90A 67 38,-2.6 38,-2.9 -2,-0.3 23,-0.2 -0.975 22.7-123.6-131.3 124.2 9.4 6.8 21.7 53 53 A L E + D 0 89A 43 21,-3.2 36,-0.2 -2,-0.4 3,-0.1 -0.423 26.7 175.2 -68.6 135.5 8.4 3.2 22.3 54 54 A V E S- 0 0 78 34,-3.1 2,-0.3 1,-0.5 35,-0.2 0.743 74.3 -14.9-101.6 -43.8 9.4 0.6 19.8 55 55 A S E S+ D 0 88A 60 33,-1.7 33,-2.4 2,-0.0 -1,-0.5 -0.984 103.1 38.5-158.1 159.3 8.0 -2.3 21.8 56 56 A G S S- 0 0 30 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.205 71.3 -93.1 88.5 178.3 6.8 -3.1 25.3 57 57 A T - 0 0 76 29,-0.2 27,-2.3 -2,-0.1 28,-0.6 -0.881 29.1-170.0-131.6 164.8 4.8 -1.0 27.7 58 58 A V E -E 83 0B 27 -2,-0.3 2,-0.5 25,-0.3 23,-0.1 -0.920 25.2-122.6-144.5 170.3 5.3 1.4 30.6 59 59 A D E +E 82 0B 68 23,-2.9 23,-2.7 -2,-0.3 3,-0.1 -0.975 35.1 159.2-118.5 109.9 3.3 3.2 33.3 60 60 A Q > + 0 0 22 -2,-0.5 3,-2.9 21,-0.2 21,-0.1 -0.125 21.6 137.5-123.5 34.5 3.7 7.0 33.0 61 61 A S T 3 + 0 0 87 1,-0.3 -1,-0.1 3,-0.0 20,-0.1 0.639 66.3 64.8 -52.8 -21.7 0.6 7.9 34.9 62 62 A D T 3 S+ 0 0 83 18,-0.5 -1,-0.3 -3,-0.1 19,-0.1 0.538 83.7 104.0 -79.9 -11.0 2.7 10.7 36.7 63 63 A Q < + 0 0 32 -3,-2.9 -18,-0.2 17,-0.2 -19,-0.1 -0.332 38.2 170.6 -73.1 154.3 3.1 12.5 33.4 64 64 A S + 0 0 89 -20,-3.0 -19,-0.2 -18,-0.1 -1,-0.1 0.427 62.7 70.8-139.6 -9.4 1.2 15.7 32.4 65 65 A F S S+ 0 0 83 -21,-1.1 2,-0.3 -19,-0.2 -20,-0.1 0.859 81.1 79.4 -80.7 -37.8 2.8 17.1 29.3 66 66 A L - 0 0 9 -22,-0.2 11,-0.0 -20,-0.1 2,-0.0 -0.570 69.2-143.5 -79.0 131.1 1.7 14.5 26.7 67 67 A D > - 0 0 70 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.245 34.2 -95.7 -82.0 178.5 -1.8 14.6 25.3 68 68 A D H > S+ 0 0 122 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.875 122.9 52.5 -61.5 -38.7 -3.7 11.4 24.5 69 69 A D H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 109.4 48.9 -65.3 -41.5 -2.8 11.4 20.8 70 70 A K H 4>S+ 0 0 68 2,-0.2 5,-2.3 1,-0.2 -1,-0.2 0.899 111.6 50.8 -65.3 -38.6 1.0 11.7 21.6 71 71 A I H ><5S+ 0 0 54 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.949 109.3 49.4 -62.9 -47.1 0.6 8.9 24.1 72 72 A E H 3<5S+ 0 0 149 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.844 103.7 61.0 -61.5 -31.9 -1.2 6.8 21.5 73 73 A A T 3<5S- 0 0 54 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.468 124.7-102.9 -74.1 -2.0 1.6 7.5 19.1 74 74 A G T < 5 + 0 0 15 -3,-2.1 -21,-3.2 1,-0.3 -3,-0.2 0.537 67.8 151.3 95.1 6.6 4.0 5.9 21.5 75 75 A Y E < -C 52 0A 21 -5,-2.3 2,-0.3 -23,-0.2 -1,-0.3 -0.444 21.2-172.1 -74.5 145.9 5.7 8.9 23.1 76 76 A V E -C 51 0A 1 -25,-2.4 -25,-2.8 -2,-0.1 2,-1.0 -0.998 28.9-135.4-142.0 142.7 7.0 8.6 26.7 77 77 A L E > -C 50 0A 0 -2,-0.3 3,-1.8 -27,-0.2 -27,-0.2 -0.838 22.8-161.7 -94.9 100.4 8.4 10.9 29.3 78 78 A T G > S+ 0 0 4 -29,-1.5 -51,-2.1 -2,-1.0 3,-0.7 0.718 81.3 67.3 -58.4 -23.2 11.3 8.8 30.6 79 79 A C G 3 S+ 0 0 7 1,-0.2 -1,-0.3 -53,-0.2 -54,-0.1 0.667 114.9 26.5 -73.3 -14.5 11.7 10.7 33.8 80 80 A V G < S+ 0 0 6 -3,-1.8 2,-0.5 -56,-0.1 -18,-0.5 0.030 96.2 113.6-134.6 25.4 8.4 9.4 35.1 81 81 A A < - 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0 0 0 -3,-0.9 -55,-2.5 -4,-0.1 -21,-0.2 -0.880 41.8-166.3-106.6 127.3 34.1 34.5 9.9 181 82 B Y E -J 158 0D 56 -23,-2.7 -23,-3.0 -2,-0.5 -57,-0.1 -0.873 27.9-120.4-103.0 136.5 37.4 35.8 8.6 182 83 B P E -J 157 0D 1 0, 0.0 -25,-0.3 0, 0.0 -59,-0.1 -0.498 23.5-174.7 -75.3 146.9 40.5 34.1 10.0 183 84 B T S S+ 0 0 68 -27,-2.8 2,-0.3 1,-0.2 -26,-0.2 0.264 74.8 1.1-118.5 4.0 42.9 36.4 11.8 184 85 B S S S- 0 0 31 -28,-0.7 -1,-0.2 -81,-0.1 2,-0.1 -0.907 105.8 -55.7-169.8 179.3 45.5 33.6 12.3 185 86 B D - 0 0 92 -2,-0.3 2,-0.4 -3,-0.1 -29,-0.3 -0.468 68.4-157.9 -68.3 141.5 46.0 30.0 11.5 186 87 B V E -g 104 0C 1 -83,-2.8 -81,-3.4 -31,-0.2 2,-0.5 -0.970 28.2-159.7-137.0 148.4 43.0 28.2 13.0 187 88 B V E +gI 105 154C 35 -33,-2.3 -34,-3.7 -2,-0.4 -33,-1.5 -0.981 27.9 176.0-120.5 121.3 41.7 24.9 14.2 188 89 B I E -gI 106 152C 0 -83,-3.1 -81,-3.6 -2,-0.5 2,-0.5 -0.979 30.0-136.5-137.8 142.0 38.0 24.6 14.3 189 90 B Q E -gI 107 151C 36 -38,-2.9 -38,-2.6 -2,-0.4 3,-0.2 -0.805 30.1-152.3 -91.4 128.9 35.5 22.0 15.1 190 91 B T + 0 0 13 -83,-3.1 -81,-0.3 -2,-0.5 -40,-0.2 -0.444 65.5 38.5 -97.3 172.4 32.6 22.0 12.6 191 92 B H + 0 0 89 -42,-0.3 3,-0.4 -2,-0.1 -41,-0.2 0.891 66.9 141.0 57.9 44.7 28.9 20.9 12.9 192 93 B K >> + 0 0 27 -43,-2.2 3,-1.6 -3,-0.2 4,-0.5 0.299 25.7 113.6-100.0 11.2 28.5 22.3 16.4 193 94 B E G >4 + 0 0 69 -44,-0.5 3,-1.2 -46,-0.3 4,-0.2 0.796 68.9 67.3 -50.9 -30.2 25.1 23.7 16.0 194 95 B E G >4 S+ 0 0 144 -3,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.849 90.2 60.4 -59.9 -39.6 23.9 21.1 18.5 195 96 B D G <4 S+ 0 0 62 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.698 90.4 70.5 -64.8 -15.3 25.7 22.7 21.3 196 97 B L G << 0 0 25 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.615 360.0 360.0 -78.2 -9.8 23.7 25.9 20.8 197 98 B Y < 0 0 191 -3,-1.8 -3,-0.1 -4,-0.2 -2,-0.1 0.155 360.0 360.0-142.3 360.0 20.7 24.0 22.1