==== 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 16-MAY-01 1J7A . COMPND 2 MOLECULE: FERREDOXIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP. PCC; . AUTHOR J.K.HURLEY,A.M.WEBER-MAIN,M.T.STANKOVICH,M.M.BENNING,J.B.THO . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 11 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.5 -8.8 35.7 1.4 2 2 A T E -A 21 0A 91 19,-0.2 2,-0.3 20,-0.1 84,-0.1 -0.998 360.0-152.9-128.8 130.1 -6.6 32.7 2.1 3 3 A F E -A 20 0A 42 17,-3.5 17,-3.3 -2,-0.4 2,-0.4 -0.804 15.2-122.5-111.2 149.6 -6.2 31.5 5.7 4 4 A K E -A 19 0A 77 -2,-0.3 83,-2.6 15,-0.2 2,-0.5 -0.734 27.4-166.1 -87.6 131.8 -3.5 29.6 7.4 5 5 A V E -Ab 18 87A 0 13,-2.9 13,-2.5 -2,-0.4 2,-0.6 -0.979 5.4-157.9-122.4 119.4 -4.7 26.4 8.9 6 6 A T E -Ab 17 88A 19 81,-3.4 83,-2.7 -2,-0.5 2,-0.6 -0.884 8.9-155.7-100.2 120.8 -2.6 24.5 11.4 7 7 A L E -Ab 16 89A 3 9,-3.8 9,-2.1 -2,-0.6 2,-0.5 -0.873 7.9-167.1-102.0 124.2 -3.3 20.8 11.8 8 8 A I E -Ab 15 90A 42 81,-3.3 83,-2.4 -2,-0.6 2,-0.9 -0.884 14.1-170.2-114.5 123.0 -2.4 19.1 15.0 9 9 A N E >> -A 14 0A 14 5,-2.2 5,-2.0 -2,-0.5 4,-1.5 -0.880 10.0-171.7-108.0 99.4 -2.4 15.4 15.4 10 10 A E T 45S+ 0 0 110 -2,-0.9 -1,-0.2 81,-0.4 3,-0.2 0.920 81.9 51.0 -58.2 -48.1 -1.9 15.0 19.3 11 11 A A T 45S+ 0 0 103 1,-0.2 -1,-0.2 81,-0.1 -2,-0.0 0.817 118.3 39.3 -63.1 -28.9 -1.4 11.3 19.4 12 12 A E T 45S- 0 0 140 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.572 102.5-130.5 -93.7 -16.4 1.3 11.6 16.7 13 13 A G T <5 + 0 0 68 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.874 58.3 143.5 68.7 34.9 2.8 14.7 17.9 14 14 A T E < -A 9 0A 42 -5,-2.0 -5,-2.2 2,-0.0 2,-0.4 -0.825 34.8-167.9-113.2 155.2 2.6 16.2 14.5 15 15 A K E +A 8 0A 166 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.991 9.1 177.8-138.5 122.1 2.0 19.8 13.3 16 16 A H E -A 7 0A 59 -9,-2.1 -9,-3.8 -2,-0.4 2,-0.4 -0.990 15.0-150.1-130.3 137.3 1.3 20.7 9.6 17 17 A E E +A 6 0A 104 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.888 18.7 174.7-110.0 135.9 0.5 24.0 8.2 18 18 A I E -A 5 0A 1 -13,-2.5 -13,-2.9 -2,-0.4 2,-0.5 -0.892 28.2-126.6-132.8 163.2 -1.7 24.5 5.1 19 19 A E E -A 4 0A 82 -2,-0.3 -15,-0.2 -15,-0.2 14,-0.0 -0.976 28.6-167.9-114.8 127.3 -3.1 27.5 3.3 20 20 A V E -A 3 0A 0 -17,-3.3 -17,-3.5 -2,-0.5 6,-0.1 -0.957 18.3-128.7-123.3 125.6 -6.9 27.4 2.7 21 21 A P E > -A 2 0A 37 0, 0.0 3,-1.9 0, 0.0 -19,-0.2 -0.355 27.8-117.6 -64.6 148.4 -9.0 29.6 0.5 22 22 A D T 3 S+ 0 0 79 -21,-2.3 -20,-0.1 1,-0.3 60,-0.0 0.638 115.1 47.3 -59.3 -15.7 -12.1 31.2 2.2 23 23 A D T 3 S+ 0 0 119 -22,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.105 96.8 81.5-118.0 22.9 -14.2 29.2 -0.2 24 24 A E S < S- 0 0 36 -3,-1.9 2,-0.1 59,-0.1 56,-0.1 -0.988 80.3-113.3-126.0 140.3 -12.7 25.8 0.0 25 25 A Y > - 0 0 52 -2,-0.4 4,-2.0 57,-0.1 57,-0.2 -0.408 26.3-122.3 -69.1 146.5 -13.4 23.2 2.8 26 26 A I H > S+ 0 0 0 55,-2.7 4,-2.5 1,-0.2 5,-0.2 0.860 108.9 55.9 -57.9 -39.4 -10.5 22.4 5.0 27 27 A L H > S+ 0 0 1 51,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.928 106.8 49.4 -63.3 -40.7 -10.5 18.7 4.2 28 28 A D H > S+ 0 0 54 50,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.928 111.8 48.2 -62.5 -41.9 -10.2 19.3 0.5 29 29 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.899 108.6 54.5 -65.9 -38.9 -7.3 21.7 0.9 30 30 A A H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 -1,-0.2 0.948 109.3 47.8 -61.8 -45.3 -5.5 19.4 3.2 31 31 A E H ><5S+ 0 0 54 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.940 109.8 51.8 -60.7 -44.0 -5.6 16.6 0.7 32 32 A E H 3<5S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.7 52.5 -59.0 -37.2 -4.4 18.8 -2.1 33 33 A Q T 3<5S- 0 0 80 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.286 129.0 -91.6 -85.2 10.4 -1.5 19.9 -0.1 34 34 A G T < 5S+ 0 0 60 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.575 88.0 115.6 99.5 6.3 -0.4 16.3 0.7 35 35 A Y < - 0 0 75 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.898 48.2-154.4-119.1 111.2 -2.1 15.4 4.0 36 36 A D - 0 0 139 -2,-0.6 -9,-0.0 -5,-0.1 -5,-0.0 -0.635 18.2-172.6 -80.3 134.4 -4.7 12.6 4.0 37 37 A L - 0 0 20 -2,-0.3 12,-0.1 -10,-0.1 -6,-0.0 -0.887 31.2 -85.7-124.9 153.7 -7.2 13.0 6.8 38 38 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.263 57.5 146.4 -62.5 142.6 -9.9 10.8 8.0 39 39 A F + 0 0 93 10,-0.1 8,-0.0 1,-0.1 0, 0.0 -0.986 21.6 167.9-165.9 164.6 -13.3 10.8 6.4 40 40 A S S S+ 0 0 83 -2,-0.3 -1,-0.1 6,-0.0 6,-0.0 0.262 81.9 23.9-141.3 -77.2 -16.3 8.7 5.4 41 41 A C S S- 0 0 52 1,-0.1 -2,-0.0 2,-0.0 6,-0.0 0.784 72.7-158.1 -69.0 -34.5 -19.5 10.4 4.3 42 42 A R S S+ 0 0 84 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.739 71.1 92.8 57.2 22.7 -17.9 13.7 3.1 43 43 A A S S- 0 0 62 37,-0.0 -1,-0.1 0, 0.0 37,-0.0 0.298 104.0-102.0-129.8 16.6 -21.3 15.3 3.5 44 44 A G S S+ 0 0 0 19,-0.1 20,-3.3 20,-0.1 21,-1.6 0.680 95.7 103.1 78.1 11.2 -21.4 16.7 7.1 45 45 A A S S+ 0 0 56 19,-0.2 2,-0.3 18,-0.2 -1,-0.1 0.064 71.2 42.4-117.6 23.1 -23.5 13.8 8.4 46 46 A C S S- 0 0 26 1,-0.0 19,-0.2 -6,-0.0 20,-0.1 -0.842 75.2-119.1-150.3-172.0 -21.1 11.5 10.4 47 47 A S S > S+ 0 0 24 -2,-0.3 3,-1.8 1,-0.1 50,-0.1 0.369 77.9 104.3-119.2 4.4 -18.3 12.0 12.8 48 48 A T T 3 S+ 0 0 31 1,-0.3 46,-0.3 46,-0.1 44,-0.1 0.836 84.1 44.2 -54.6 -38.4 -15.4 10.5 11.0 49 49 A C T 3 S+ 0 0 4 44,-0.1 29,-1.4 -3,-0.1 -1,-0.3 0.236 82.8 148.3 -94.1 15.7 -13.8 13.7 10.1 50 50 A A E < +C 77 0A 1 -3,-1.8 43,-2.2 27,-0.2 44,-0.4 -0.179 17.9 172.9 -58.0 140.1 -14.2 15.4 13.4 51 51 A G E -C 76 0A 0 25,-2.5 25,-2.4 41,-0.2 2,-0.4 -0.819 24.6-127.1-134.2 172.2 -11.6 17.9 14.6 52 52 A K E -CD 75 90A 71 38,-2.9 38,-3.3 -2,-0.3 23,-0.2 -0.987 20.6-125.0-133.9 124.9 -11.4 20.3 17.6 53 53 A L E + D 0 89A 34 21,-2.8 36,-0.2 -2,-0.4 3,-0.1 -0.402 26.7 173.7 -68.0 134.2 -10.7 24.0 17.4 54 54 A V E S- 0 0 80 34,-3.3 2,-0.3 1,-0.5 35,-0.2 0.742 75.0 -15.0-101.5 -50.3 -7.9 25.3 19.4 55 55 A S E S+ D 0 88A 64 33,-1.6 33,-3.5 2,-0.0 -1,-0.5 -0.980 102.4 42.6-154.0 154.7 -8.2 28.9 17.9 56 56 A G S S- 0 0 32 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.287 70.9 -91.1 99.1 176.4 -9.8 30.6 15.0 57 57 A T - 0 0 75 29,-0.3 27,-2.4 -2,-0.1 28,-0.6 -0.875 28.8-168.3-128.2 162.3 -13.3 30.4 13.5 58 58 A V E -E 83 0B 33 -2,-0.3 2,-0.6 25,-0.3 23,-0.1 -0.909 22.9-129.8-141.1 164.2 -15.0 28.4 10.8 59 59 A D E +E 82 0B 64 23,-2.6 23,-2.8 -2,-0.3 3,-0.1 -0.978 34.9 157.8-116.9 112.6 -18.3 28.3 8.9 60 60 A Q > + 0 0 22 -2,-0.6 3,-3.5 21,-0.2 21,-0.1 0.019 19.3 138.7-125.5 27.0 -19.7 24.9 9.0 61 61 A S T 3 + 0 0 91 1,-0.3 -1,-0.1 3,-0.0 20,-0.1 0.712 67.1 63.9 -44.4 -24.5 -23.3 25.8 8.3 62 62 A D T 3 S+ 0 0 82 18,-0.5 -1,-0.3 -3,-0.1 2,-0.1 0.534 81.5 103.0 -82.5 -4.3 -23.5 22.8 6.0 63 63 A Q < + 0 0 32 -3,-3.5 -18,-0.2 17,-0.2 -19,-0.1 -0.447 39.2 173.1 -77.4 158.2 -23.0 20.3 8.8 64 64 A S + 0 0 88 -20,-3.3 -19,-0.2 -18,-0.1 -1,-0.1 0.383 62.1 69.7-138.5 -7.0 -25.8 18.3 10.2 65 65 A F S S+ 0 0 88 -21,-1.6 2,-0.1 -19,-0.2 -20,-0.1 0.929 78.9 78.1 -85.1 -44.0 -24.4 15.8 12.6 66 66 A L S S- 0 0 9 -22,-0.2 2,-0.1 -20,-0.1 11,-0.0 -0.406 72.0-135.5 -68.8 140.9 -23.1 17.8 15.6 67 67 A D > - 0 0 82 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.419 32.1 -98.0 -87.4 172.2 -25.5 19.2 18.1 68 68 A K H > S+ 0 0 154 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.814 122.0 53.0 -59.0 -35.6 -25.3 22.7 19.5 69 69 A D H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 107.7 50.8 -69.0 -40.1 -23.4 21.8 22.6 70 70 A Q H 4>S+ 0 0 27 2,-0.2 5,-2.4 1,-0.2 4,-0.4 0.893 111.0 49.0 -63.7 -38.9 -20.7 19.9 20.6 71 71 A I H ><5S+ 0 0 40 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.945 108.5 53.5 -65.5 -42.1 -20.3 22.9 18.4 72 72 A E H 3<5S+ 0 0 156 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.898 102.4 58.0 -59.8 -37.7 -20.0 25.0 21.5 73 73 A A T 3<5S- 0 0 52 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.566 127.2 -99.9 -70.2 -6.4 -17.2 22.7 22.8 74 74 A G T < 5 + 0 0 18 -3,-2.0 -21,-2.8 -4,-0.4 -3,-0.2 0.585 68.1 155.5 102.3 8.6 -15.3 23.6 19.6 75 75 A Y E < -C 52 0A 27 -5,-2.4 2,-0.3 -23,-0.2 -1,-0.3 -0.494 17.9-173.6 -76.2 142.6 -16.0 20.5 17.5 76 76 A V E -C 51 0A 3 -25,-2.4 -25,-2.5 -2,-0.2 2,-0.9 -0.998 27.2-139.1-138.3 137.3 -15.8 20.8 13.7 77 77 A L E > -C 50 0A 0 -2,-0.3 3,-1.6 -27,-0.2 -27,-0.2 -0.857 22.1-159.6 -95.3 107.5 -16.6 18.4 10.8 78 78 A T G > S+ 0 0 7 -29,-1.4 -51,-2.0 -2,-0.9 3,-0.8 0.725 80.9 69.7 -61.1 -25.7 -13.6 19.1 8.5 79 79 A C G 3 S+ 0 0 8 1,-0.2 -1,-0.3 -53,-0.2 -54,-0.1 0.679 113.0 25.5 -68.9 -18.6 -15.2 17.9 5.5 80 80 A V G < S+ 0 0 7 -3,-1.6 2,-0.5 -56,-0.1 -18,-0.5 0.068 95.7 113.4-133.7 25.7 -17.7 20.8 5.3 81 81 A A < - 0 0 0 -3,-0.8 -55,-2.7 -4,-0.1 -21,-0.2 -0.868 44.1-163.1-109.4 131.1 -16.0 23.5 7.1 82 82 A Y E -E 59 0B 59 -23,-2.8 -23,-2.6 -2,-0.5 2,-0.2 -0.803 26.0-121.7-100.4 140.9 -14.7 26.7 5.6 83 83 A P E -E 58 0B 1 0, 0.0 -25,-0.3 0, 0.0 -59,-0.1 -0.573 23.3-175.2 -80.7 147.9 -12.2 28.7 7.6 84 84 A T S S+ 0 0 70 -27,-2.4 2,-0.3 1,-0.3 -26,-0.2 0.285 74.3 4.2-123.7 8.5 -13.2 32.3 8.5 85 85 A S S S- 0 0 32 -28,-0.6 -1,-0.3 -81,-0.1 -82,-0.1 -0.912 107.0 -58.5-172.7 170.8 -9.9 33.3 10.0 86 86 A D - 0 0 92 -2,-0.3 2,-0.4 -3,-0.1 -29,-0.3 -0.409 67.5-154.4 -60.5 146.8 -6.5 31.6 10.5 87 87 A V E -b 5 0A 2 -83,-2.6 -81,-3.4 -31,-0.2 2,-0.5 -0.971 26.8-158.6-136.4 145.3 -7.2 28.4 12.5 88 88 A V E +bD 6 55A 34 -33,-3.5 -34,-3.3 -2,-0.4 -33,-1.6 -0.977 29.9 172.8-117.1 119.5 -5.6 26.0 14.8 89 89 A I E -bD 7 53A 0 -83,-2.7 -81,-3.3 -2,-0.5 2,-0.5 -0.984 31.1-139.7-136.5 139.1 -7.2 22.6 14.9 90 90 A Q E -bD 8 52A 26 -38,-3.3 -38,-2.9 -2,-0.4 3,-0.2 -0.810 28.7-155.3 -93.4 129.5 -6.7 19.2 16.4 91 91 A T + 0 0 10 -83,-2.4 -81,-0.4 -2,-0.5 -40,-0.2 -0.381 64.9 44.9 -96.6 176.1 -7.6 16.4 14.0 92 92 A H + 0 0 86 -42,-0.3 3,-0.2 -2,-0.1 -41,-0.2 0.885 65.6 138.2 58.6 43.8 -8.6 12.8 14.6 93 93 A K > + 0 0 30 -43,-2.2 3,-1.4 -3,-0.2 4,-0.3 0.174 24.4 115.0-103.7 14.8 -11.1 13.7 17.4 94 94 A E G > S+ 0 0 81 -44,-0.4 3,-1.8 -46,-0.3 -1,-0.2 0.871 71.6 60.5 -50.1 -46.2 -13.9 11.3 16.3 95 95 A E G 3 S+ 0 0 183 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.722 90.8 68.6 -54.8 -30.2 -13.5 9.3 19.5 96 96 A D G < S+ 0 0 70 -3,-1.4 2,-0.3 -46,-0.1 -1,-0.3 0.569 84.1 96.5 -64.3 -17.0 -14.3 12.3 21.8 97 97 A L < 0 0 27 -3,-1.8 -50,-0.0 -4,-0.3 -3,-0.0 -0.622 360.0 360.0 -86.8 137.7 -17.8 12.2 20.5 98 98 A Y 0 0 281 -2,-0.3 -1,-0.1 0, 0.0 -3,-0.1 0.221 360.0 360.0-129.0 360.0 -20.7 10.6 22.3