==== 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 1QOB . 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) . 10493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 66.8 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 . 24 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 9.2 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 78 0, 0.0 21,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.3 10.0 -7.5 38.7 2 2 A T E -A 21 0A 88 19,-0.2 2,-0.3 20,-0.1 84,-0.1 -0.991 360.0-152.4-137.2 125.7 13.0 -6.1 36.9 3 3 A F E -A 20 0A 38 17,-3.2 17,-3.6 -2,-0.4 2,-0.5 -0.753 13.6-126.2-107.1 150.7 12.7 -5.1 33.2 4 4 A K E -A 19 0A 76 -2,-0.3 83,-2.6 15,-0.2 2,-0.5 -0.796 27.9-166.7 -92.4 127.5 15.1 -5.0 30.4 5 5 A V E -Ab 18 87A 0 13,-3.7 13,-3.1 -2,-0.5 2,-0.6 -0.973 7.5-158.5-125.3 122.3 15.2 -1.6 28.8 6 6 A T E -Ab 17 88A 13 81,-2.8 83,-3.1 -2,-0.5 2,-0.6 -0.893 7.0-158.3-102.6 119.9 16.9 -1.0 25.5 7 7 A L E -Ab 16 89A 3 9,-3.4 9,-2.3 -2,-0.6 2,-0.5 -0.863 9.3-170.7-100.2 116.3 17.9 2.5 24.8 8 8 A I E -Ab 15 90A 38 81,-3.3 83,-2.1 -2,-0.6 2,-0.9 -0.913 13.4-167.6-114.3 124.1 18.4 3.4 21.1 9 9 A N E >> -A 14 0A 22 5,-2.3 5,-1.8 -2,-0.5 4,-1.4 -0.854 7.6-173.8-108.1 94.3 19.9 6.7 19.9 10 10 A E T 45S+ 0 0 99 -2,-0.9 -1,-0.2 81,-0.3 82,-0.1 0.847 79.9 53.6 -54.0 -45.9 19.1 6.7 16.2 11 11 A A T 45S+ 0 0 93 1,-0.2 -1,-0.2 81,-0.1 -2,-0.0 0.921 121.2 31.0 -60.4 -43.9 21.0 9.8 15.4 12 12 A E T 45S- 0 0 134 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.545 104.1-128.8 -90.7 -9.4 24.2 8.6 17.0 13 13 A G T <5 + 0 0 66 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.935 57.9 144.0 60.0 48.9 23.5 4.9 16.2 14 14 A T E < -A 9 0A 43 -5,-1.8 -5,-2.3 2,-0.0 2,-0.4 -0.837 33.3-163.8-118.7 156.7 24.1 3.8 19.8 15 15 A K E -A 8 0A 154 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.992 5.3-176.9-143.9 131.0 22.4 1.2 21.9 16 16 A H E -A 7 0A 60 -9,-2.3 -9,-3.4 -2,-0.4 2,-0.5 -0.987 12.2-151.8-130.3 139.3 22.5 0.7 25.6 17 17 A E E +A 6 0A 116 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.931 21.4 170.4-113.3 129.1 20.9 -2.1 27.6 18 18 A I E -A 5 0A 2 -13,-3.1 -13,-3.7 -2,-0.5 2,-0.5 -0.947 29.2-129.8-134.6 159.7 19.8 -1.5 31.2 19 19 A E E -A 4 0A 85 -2,-0.3 -15,-0.2 -15,-0.2 14,-0.0 -0.926 27.0-169.5-109.6 124.9 17.8 -3.3 33.9 20 20 A V E -A 3 0A 0 -17,-3.6 -17,-3.2 -2,-0.5 6,-0.1 -0.949 19.9-127.5-123.9 129.2 15.1 -1.4 35.6 21 21 A P E > -A 2 0A 36 0, 0.0 3,-1.5 0, 0.0 -19,-0.2 -0.247 28.5-117.3 -62.4 154.7 13.0 -2.2 38.6 22 22 A D T 3 S+ 0 0 76 -21,-1.9 -20,-0.1 1,-0.3 60,-0.0 0.552 115.7 48.3 -71.6 -6.2 9.3 -2.0 38.2 23 23 A D T 3 S+ 0 0 120 -22,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.101 98.0 83.6-118.8 20.0 9.2 0.8 40.8 24 24 A E S < S- 0 0 35 -3,-1.5 2,-0.1 59,-0.1 56,-0.1 -0.975 80.1-114.3-125.8 139.5 12.1 2.9 39.4 25 25 A Y > - 0 0 48 -2,-0.4 4,-2.2 57,-0.1 57,-0.2 -0.418 23.7-123.3 -71.1 145.7 11.8 5.5 36.6 26 26 A I H > S+ 0 0 0 55,-2.6 4,-2.7 52,-0.2 5,-0.2 0.919 108.9 54.9 -53.4 -47.2 13.7 4.8 33.4 27 27 A L H > S+ 0 0 0 51,-1.9 4,-2.3 1,-0.2 5,-0.2 0.951 108.3 47.2 -53.8 -52.8 15.7 8.0 33.6 28 28 A D H > S+ 0 0 49 50,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.914 111.8 49.1 -56.4 -46.6 17.0 7.3 37.1 29 29 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.928 109.1 53.7 -60.6 -44.7 18.0 3.7 36.3 30 30 A A H <>S+ 0 0 0 -4,-2.7 5,-3.1 -5,-0.2 -1,-0.2 0.936 110.8 45.9 -54.1 -47.8 19.8 4.8 33.2 31 31 A E H ><5S+ 0 0 48 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.922 110.8 52.5 -63.1 -43.7 21.9 7.3 35.0 32 32 A E H 3<5S+ 0 0 132 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 108.7 51.4 -61.0 -35.0 22.7 4.9 37.8 33 33 A Q T 3<5S- 0 0 80 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.418 128.5 -96.7 -84.2 4.0 23.9 2.5 35.3 34 34 A G T < 5S+ 0 0 57 -3,-1.8 2,-0.6 -4,-0.2 -3,-0.2 0.605 86.1 117.8 96.8 13.3 26.2 5.1 33.6 35 35 A Y < - 0 0 79 -5,-3.1 2,-0.2 -6,-0.2 -2,-0.2 -0.917 49.6-152.2-120.4 108.1 24.1 6.4 30.8 36 36 A D - 0 0 143 -2,-0.6 -9,-0.0 -5,-0.1 -5,-0.0 -0.545 16.3-174.4 -77.2 134.8 23.2 10.1 30.9 37 37 A L - 0 0 17 -2,-0.2 12,-0.1 -10,-0.1 2,-0.0 -0.921 32.0 -86.7-127.3 156.5 20.0 11.1 29.1 38 38 A P + 0 0 43 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.299 56.2 146.7 -66.5 143.6 18.5 14.5 28.4 39 39 A F + 0 0 94 10,-0.1 8,-0.0 39,-0.1 0, 0.0 -0.982 21.6 169.4-164.9 164.2 16.2 16.1 31.0 40 40 A S S S+ 0 0 86 -2,-0.3 -1,-0.0 6,-0.0 6,-0.0 0.273 82.1 23.3-141.1 -79.6 15.1 19.5 32.4 41 41 A C S S- 0 0 51 1,-0.1 -2,-0.0 2,-0.0 6,-0.0 0.818 73.0-155.9 -68.4 -34.2 12.1 19.6 34.7 42 42 A R S S+ 0 0 81 1,-0.1 -1,-0.1 -15,-0.0 -3,-0.0 0.812 72.1 92.0 59.8 29.6 12.3 15.9 35.9 43 43 A A S S- 0 0 59 37,-0.0 -1,-0.1 0, 0.0 37,-0.0 0.298 102.8-102.4-138.8 12.1 8.7 16.3 36.6 44 44 A G S S+ 0 0 0 19,-0.1 20,-3.0 20,-0.1 21,-1.5 0.739 93.8 104.7 75.8 20.9 6.7 15.2 33.6 45 45 A A S S+ 0 0 57 19,-0.2 2,-0.3 18,-0.2 -1,-0.1 0.047 71.4 43.8-121.7 24.3 5.9 18.7 32.5 46 46 A C S S- 0 0 24 1,-0.0 19,-0.2 -6,-0.0 20,-0.1 -0.841 73.0-120.5-149.6-172.4 8.2 19.2 29.6 47 47 A S S > S+ 0 0 6 -2,-0.3 3,-1.7 1,-0.1 50,-0.1 0.367 78.6 101.6-119.6 5.6 9.4 17.5 26.6 48 48 A T T 3 S+ 0 0 38 1,-0.3 46,-0.3 46,-0.1 44,-0.1 0.865 85.4 44.7 -56.1 -40.0 13.1 17.5 27.1 49 49 A C T 3 S+ 0 0 5 44,-0.1 29,-1.5 43,-0.1 -1,-0.3 0.209 84.3 147.0 -90.8 14.7 13.3 13.8 28.2 50 50 A A E < +C 77 0A 1 -3,-1.7 43,-2.4 27,-0.2 44,-0.4 -0.189 18.8 173.2 -60.6 140.9 11.0 12.5 25.5 51 51 A G E -C 76 0A 0 25,-2.5 25,-2.6 41,-0.2 2,-0.5 -0.865 25.6-127.3-135.5 168.0 11.5 9.1 24.0 52 52 A K E -CD 75 90A 64 38,-2.8 38,-3.0 -2,-0.3 23,-0.2 -0.976 23.1-124.3-127.5 122.6 9.5 7.0 21.5 53 53 A L E + D 0 89A 42 21,-2.9 36,-0.2 -2,-0.5 3,-0.1 -0.388 26.1 175.9 -65.9 132.0 8.4 3.4 22.3 54 54 A V E S- 0 0 81 34,-3.5 2,-0.3 1,-0.5 35,-0.2 0.799 74.2 -16.2 -96.3 -47.0 9.5 0.8 19.8 55 55 A S E S+ D 0 88A 59 33,-1.5 33,-3.1 2,-0.0 -1,-0.5 -0.982 103.7 40.6-156.6 156.0 8.1 -2.1 21.8 56 56 A G S S- 0 0 29 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.315 71.0 -95.0 95.1-179.1 6.9 -2.8 25.4 57 57 A T - 0 0 74 29,-0.3 27,-2.1 -2,-0.1 28,-0.6 -0.882 28.0-165.9-134.1 168.3 4.8 -0.7 27.7 58 58 A V E -E 83 0B 28 -2,-0.3 2,-0.6 25,-0.3 23,-0.0 -0.972 24.8-123.9-149.1 162.8 5.2 1.7 30.5 59 59 A D E +E 82 0B 66 23,-3.3 23,-2.6 -2,-0.3 3,-0.1 -0.940 38.0 155.4-112.0 105.9 3.4 3.5 33.2 60 60 A Q > + 0 0 22 -2,-0.6 3,-2.7 21,-0.2 21,-0.1 -0.083 20.6 136.7-120.9 31.6 3.8 7.3 32.8 61 61 A S T 3 + 0 0 98 1,-0.3 -1,-0.1 3,-0.0 20,-0.1 0.662 65.0 65.0 -52.1 -23.7 0.6 8.3 34.7 62 62 A K T 3 S+ 0 0 123 18,-0.5 -1,-0.3 -3,-0.1 19,-0.1 0.592 82.1 106.9 -77.4 -12.6 2.5 11.1 36.5 63 63 A Q < + 0 0 30 -3,-2.7 -18,-0.2 17,-0.2 -19,-0.1 -0.306 37.2 171.0 -68.2 149.5 3.1 12.9 33.1 64 64 A S + 0 0 84 -20,-3.0 -19,-0.2 -18,-0.1 -1,-0.1 0.481 62.2 71.4-134.5 -13.0 1.2 16.0 32.2 65 65 A F S S+ 0 0 81 -21,-1.5 2,-0.1 -19,-0.2 -20,-0.1 0.904 81.4 71.7 -76.0 -46.1 2.8 17.4 29.1 66 66 A L S S- 0 0 9 -22,-0.2 2,-0.1 -20,-0.1 11,-0.0 -0.459 71.9-136.7 -77.1 146.2 1.8 14.9 26.4 67 67 A D > - 0 0 79 -2,-0.1 4,-1.7 1,-0.1 3,-0.4 -0.387 33.1 -94.0 -91.7 176.2 -1.7 14.8 25.0 68 68 A D H > S+ 0 0 127 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.848 124.0 51.2 -56.8 -40.2 -3.7 11.6 24.3 69 69 A D H > S+ 0 0 120 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.803 108.6 50.8 -68.6 -34.5 -2.7 11.5 20.7 70 70 A Q H 4>S+ 0 0 43 -3,-0.4 5,-2.1 2,-0.2 -1,-0.2 0.851 111.6 48.4 -73.5 -33.5 1.0 11.8 21.5 71 71 A I H ><5S+ 0 0 60 -4,-1.7 3,-2.5 1,-0.2 -2,-0.2 0.920 109.2 51.8 -69.1 -47.8 0.7 9.0 23.9 72 72 A E H 3<5S+ 0 0 162 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.873 103.7 60.1 -57.7 -34.0 -1.1 6.8 21.5 73 73 A A T 3<5S- 0 0 53 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.519 124.9-103.4 -73.1 -2.7 1.7 7.6 19.0 74 74 A G T < 5 + 0 0 14 -3,-2.5 -21,-2.9 1,-0.3 -3,-0.2 0.494 67.8 149.0 97.1 2.0 4.2 6.0 21.5 75 75 A Y E < -C 52 0A 22 -5,-2.1 2,-0.3 -23,-0.2 -1,-0.3 -0.489 22.6-171.9 -75.1 143.1 5.8 9.1 23.0 76 76 A V E -C 51 0A 1 -25,-2.6 -25,-2.5 -2,-0.2 2,-1.0 -0.988 27.9-134.3-137.1 143.9 7.1 8.8 26.6 77 77 A L E > -C 50 0A 0 -2,-0.3 3,-1.5 -27,-0.2 -27,-0.2 -0.837 21.8-161.4 -95.0 102.8 8.5 11.1 29.2 78 78 A T G > S+ 0 0 6 -29,-1.5 -51,-1.9 -2,-1.0 3,-1.0 0.764 80.7 67.6 -59.0 -27.0 11.4 9.1 30.5 79 79 A C G 3 S+ 0 0 5 1,-0.2 -1,-0.3 -53,-0.2 -51,-0.1 0.704 115.7 25.5 -68.5 -18.4 11.8 11.1 33.7 80 80 A V G < S+ 0 0 8 -3,-1.5 2,-0.5 -56,-0.1 -18,-0.5 0.018 96.7 113.6-131.5 25.6 8.4 9.8 35.1 81 81 A A < - 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