==== 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 1J7B . 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) . 5329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 61.2 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 . 1 1.0 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 . 7 7.1 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 82 0, 0.0 21,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 166.5 3.0 -10.4 66.8 2 2 A T E -A 21 0A 88 19,-0.2 2,-0.3 20,-0.1 84,-0.1 -0.998 360.0-153.0-131.6 123.9 6.7 -10.7 66.0 3 3 A F E -A 20 0A 40 17,-3.3 17,-2.9 -2,-0.4 2,-0.3 -0.754 15.7-122.6-103.8 147.0 7.9 -10.4 62.4 4 4 A K E -A 19 0A 79 -2,-0.3 83,-2.4 15,-0.2 2,-0.5 -0.682 28.1-165.6 -82.3 137.1 10.9 -11.8 60.7 5 5 A V E -Ab 18 87A 0 13,-2.9 13,-2.7 -2,-0.3 2,-0.6 -0.985 5.4-157.4-128.7 118.6 13.1 -9.1 59.1 6 6 A T E -Ab 17 88A 21 81,-3.3 83,-2.6 -2,-0.5 2,-0.5 -0.860 7.4-156.9 -99.8 122.0 15.8 -10.0 56.6 7 7 A L E -Ab 16 89A 4 9,-3.3 9,-2.4 -2,-0.6 2,-0.5 -0.865 9.2-170.5-101.6 128.5 18.6 -7.5 56.3 8 8 A I E -Ab 15 90A 39 81,-2.6 83,-2.3 -2,-0.5 2,-0.8 -0.960 14.4-169.2-124.8 124.1 20.6 -7.4 53.1 9 9 A N E >> -A 14 0A 13 5,-1.8 4,-1.7 -2,-0.5 5,-1.6 -0.891 8.0-170.7-108.9 99.4 23.7 -5.5 52.5 10 10 A E T 45S+ 0 0 111 -2,-0.8 -1,-0.2 81,-0.3 82,-0.1 0.888 81.7 52.4 -57.6 -46.2 24.3 -5.8 48.8 11 11 A A T 45S+ 0 0 102 1,-0.2 -1,-0.2 -3,-0.1 81,-0.0 0.788 120.3 35.6 -63.9 -27.3 27.8 -4.3 48.7 12 12 A E T 45S- 0 0 141 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.556 102.3-131.2-101.3 -12.1 28.9 -6.8 51.3 13 13 A G T <5 + 0 0 66 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.896 55.6 144.8 64.7 40.0 26.8 -9.7 50.2 14 14 A T E < -A 9 0A 44 -5,-1.6 -5,-1.8 2,-0.0 2,-0.4 -0.823 33.5-167.0-113.5 154.7 25.5 -10.4 53.7 15 15 A K E +A 8 0A 159 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.968 10.5 177.1-140.8 115.4 22.2 -11.6 54.8 16 16 A H E -A 7 0A 62 -9,-2.4 -9,-3.3 -2,-0.4 2,-0.4 -0.969 16.1-147.8-123.7 141.3 21.1 -11.5 58.4 17 17 A E E +A 6 0A 97 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.879 19.0 175.3-111.2 135.4 17.8 -12.4 59.9 18 18 A I E -A 5 0A 1 -13,-2.7 -13,-2.9 -2,-0.4 2,-0.5 -0.911 27.2-128.0-132.3 162.0 16.2 -10.8 63.0 19 19 A E E -A 4 0A 85 -2,-0.3 -15,-0.2 -15,-0.2 14,-0.0 -0.962 28.4-169.2-112.5 126.6 12.9 -11.0 64.9 20 20 A V E -A 3 0A 0 -17,-2.9 -17,-3.3 -2,-0.5 2,-0.1 -0.975 18.8-127.7-124.8 129.1 11.1 -7.8 65.4 21 21 A P E > -A 2 0A 38 0, 0.0 3,-2.3 0, 0.0 -19,-0.2 -0.366 26.7-118.2 -68.8 143.8 8.2 -7.0 67.6 22 22 A D T 3 S+ 0 0 73 -21,-2.1 -20,-0.1 1,-0.3 60,-0.0 0.648 115.0 46.4 -55.8 -17.0 5.2 -5.2 66.0 23 23 A D T 3 S+ 0 0 119 -22,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.119 97.7 82.7-118.0 23.3 5.8 -2.3 68.3 24 24 A E S < S- 0 0 33 -3,-2.3 2,-0.1 59,-0.1 56,-0.1 -0.983 79.4-113.7-124.2 140.1 9.6 -1.9 68.1 25 25 A Y > - 0 0 53 -2,-0.4 4,-1.8 57,-0.1 3,-0.3 -0.409 26.9-121.2 -68.8 149.9 11.5 0.0 65.3 26 26 A I H > S+ 0 0 0 55,-2.9 4,-2.4 1,-0.2 5,-0.2 0.865 108.9 54.0 -58.1 -42.8 13.6 -2.0 63.1 27 27 A L H > S+ 0 0 0 51,-1.7 4,-2.8 54,-0.2 -1,-0.2 0.927 106.8 52.4 -60.7 -40.2 16.9 -0.3 63.9 28 28 A D H > S+ 0 0 49 -3,-0.3 4,-2.4 50,-0.3 -1,-0.2 0.946 110.8 46.2 -61.5 -45.8 16.4 -0.9 67.6 29 29 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.889 110.0 55.0 -64.7 -38.6 15.8 -4.6 67.2 30 30 A A H <>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.2 -2,-0.2 0.960 109.5 46.1 -61.2 -48.5 18.8 -4.9 64.9 31 31 A E H ><5S+ 0 0 50 -4,-2.8 3,-2.5 1,-0.2 -2,-0.2 0.955 111.5 50.8 -60.2 -48.5 21.1 -3.4 67.4 32 32 A E H 3<5S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 109.0 53.5 -55.2 -36.6 19.8 -5.5 70.3 33 33 A Q T 3<5S- 0 0 77 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.327 128.7 -96.9 -83.6 9.7 20.3 -8.5 68.1 34 34 A G T < 5S+ 0 0 58 -3,-2.5 2,-0.6 1,-0.2 -3,-0.2 0.629 85.5 119.0 93.1 12.1 23.9 -7.6 67.4 35 35 A Y < - 0 0 75 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.2 -0.917 48.9-152.3-116.6 110.4 23.8 -5.9 64.1 36 36 A D - 0 0 146 -2,-0.6 -9,-0.0 -5,-0.1 -5,-0.0 -0.670 18.1-173.7 -82.4 131.3 25.0 -2.3 64.0 37 37 A L - 0 0 20 -2,-0.4 12,-0.1 -10,-0.1 -6,-0.0 -0.872 31.5 -88.3-121.0 152.4 23.3 -0.3 61.3 38 38 A P + 0 0 36 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.302 56.1 147.6 -64.3 145.9 24.0 3.3 60.1 39 39 A F + 0 0 98 10,-0.1 8,-0.0 39,-0.0 0, 0.0 -0.983 21.3 169.3-166.2 166.2 22.2 6.2 61.7 40 40 A S S S+ 0 0 84 -2,-0.3 -1,-0.0 6,-0.0 6,-0.0 0.247 80.7 23.5-143.1 -80.0 22.6 9.8 62.7 41 41 A C S S- 0 0 53 1,-0.1 -2,-0.0 2,-0.0 6,-0.0 0.785 73.7-156.7 -67.1 -36.1 19.5 11.8 63.8 42 42 A R S S+ 0 0 82 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.691 70.2 94.5 61.6 17.4 17.5 8.8 65.0 43 43 A A S S- 0 0 62 37,-0.0 -1,-0.1 0, 0.0 37,-0.0 0.250 102.9-101.7-126.4 24.4 14.5 10.8 64.5 44 44 A G S S+ 0 0 0 19,-0.1 20,-2.6 20,-0.1 21,-1.5 0.681 95.6 102.2 75.6 10.7 13.1 10.2 61.0 45 45 A A S S+ 0 0 56 19,-0.2 2,-0.3 18,-0.1 -1,-0.1 0.151 71.6 41.4-122.1 25.7 14.6 13.5 59.7 46 46 A C S S- 0 0 27 1,-0.0 19,-0.2 20,-0.0 20,-0.1 -0.854 74.1-117.9-149.7-173.2 17.7 12.5 57.7 47 47 A S S > S+ 0 0 30 -2,-0.3 3,-1.9 1,-0.1 50,-0.1 0.416 78.3 100.9-116.7 3.8 18.7 9.8 55.3 48 48 A T T 3 S+ 0 0 26 1,-0.3 46,-0.3 46,-0.1 -1,-0.1 0.820 85.1 47.0 -57.4 -37.6 21.5 8.0 57.0 49 49 A C T 3 S+ 0 0 4 -3,-0.1 29,-1.4 44,-0.1 -1,-0.3 0.239 83.8 147.1 -89.2 12.8 19.5 5.1 58.1 50 50 A A E < +C 77 0A 1 -3,-1.9 43,-2.5 27,-0.2 44,-0.4 -0.177 18.8 172.6 -59.1 139.7 17.8 4.6 54.7 51 51 A G E -C 76 0A 0 25,-2.3 25,-2.6 41,-0.2 2,-0.5 -0.854 24.9-129.1-134.8 168.4 16.9 1.1 53.5 52 52 A K E -CD 75 90A 54 38,-3.1 38,-3.1 -2,-0.3 23,-0.2 -0.980 21.8-123.7-131.7 126.2 15.0 -0.2 50.5 53 53 A L E + D 0 89A 29 21,-3.1 36,-0.2 -2,-0.5 3,-0.1 -0.357 26.1 175.3 -66.1 139.9 12.1 -2.7 50.7 54 54 A V E S- 0 0 76 34,-3.6 2,-0.3 1,-0.5 35,-0.2 0.708 74.1 -15.7-108.2 -45.3 12.4 -5.8 48.8 55 55 A S E S+ D 0 88A 60 33,-1.8 33,-3.2 2,-0.0 -1,-0.5 -0.986 101.3 41.7-158.4 155.6 9.2 -7.3 50.1 56 56 A G S S- 0 0 36 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.327 71.0 -82.3 99.2 177.6 6.8 -6.7 52.9 57 57 A T - 0 0 75 29,-0.4 27,-2.8 -2,-0.1 28,-0.6 -0.899 30.6-172.2-125.6 154.3 5.3 -3.7 54.6 58 58 A V E -E 83 0B 31 -2,-0.3 2,-0.6 25,-0.3 23,-0.1 -0.914 22.8-134.3-137.6 160.3 6.2 -1.1 57.3 59 59 A D E +E 82 0B 64 23,-2.4 23,-2.5 -2,-0.3 3,-0.1 -0.982 33.8 158.4-115.0 109.8 4.6 1.7 59.2 60 60 A Q > + 0 0 23 -2,-0.6 3,-3.3 21,-0.2 21,-0.1 -0.065 18.1 140.5-123.8 29.9 6.9 4.6 59.1 61 61 A S T 3 + 0 0 90 1,-0.3 -1,-0.1 3,-0.0 20,-0.1 0.702 66.8 62.2 -46.4 -22.4 4.3 7.2 59.8 62 62 A D T 3 S+ 0 0 86 18,-0.5 -1,-0.3 -3,-0.1 19,-0.1 0.567 81.8 102.6 -87.5 -3.4 6.7 9.0 62.1 63 63 A Q < + 0 0 30 -3,-3.3 -18,-0.1 17,-0.2 -19,-0.1 -0.396 39.3 173.6 -74.5 159.9 9.2 9.8 59.3 64 64 A S + 0 0 87 -20,-2.6 -19,-0.2 -18,-0.1 -1,-0.1 0.475 60.5 72.0-139.7 -13.3 9.4 13.2 57.8 65 65 A F S S+ 0 0 89 -21,-1.5 2,-0.1 -19,-0.2 -20,-0.1 0.896 78.4 77.8 -76.0 -45.9 12.4 13.2 55.4 66 66 A L S S- 0 0 8 -22,-0.2 2,-0.2 -20,-0.1 11,-0.0 -0.403 72.1-136.2 -67.9 142.9 11.2 11.1 52.5 67 67 A D > - 0 0 78 -2,-0.1 4,-1.9 1,-0.1 3,-0.4 -0.513 32.9 -97.1 -90.2 170.0 8.9 12.6 49.9 68 68 A D H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.805 122.4 53.5 -54.6 -37.8 5.9 10.6 48.6 69 69 A D H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 107.8 50.4 -64.9 -41.7 7.7 9.4 45.5 70 70 A Q H 4>S+ 0 0 28 -3,-0.4 5,-2.2 2,-0.2 4,-0.4 0.874 110.5 49.6 -64.4 -37.8 10.7 8.1 47.5 71 71 A I H ><5S+ 0 0 63 -4,-1.9 3,-2.3 1,-0.2 -2,-0.2 0.959 108.6 53.8 -65.4 -45.5 8.3 6.2 49.6 72 72 A E H 3<5S+ 0 0 159 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.904 102.3 57.8 -54.0 -41.8 6.6 4.9 46.5 73 73 A A T 3<5S- 0 0 61 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.650 125.5-102.8 -67.3 -10.2 9.9 3.7 45.3 74 74 A G T < 5 + 0 0 17 -3,-2.3 -21,-3.1 -4,-0.4 -3,-0.2 0.589 66.6 152.4 101.3 10.5 10.2 1.6 48.5 75 75 A Y E < -C 52 0A 32 -5,-2.2 2,-0.4 -23,-0.2 -1,-0.3 -0.516 20.2-172.3 -78.2 146.3 12.6 3.6 50.6 76 76 A V E -C 51 0A 4 -25,-2.6 -25,-2.3 -2,-0.2 2,-1.0 -0.999 27.6-135.9-140.5 141.4 12.4 3.3 54.4 77 77 A L E > -C 50 0A 0 -2,-0.4 3,-1.9 -27,-0.2 4,-0.2 -0.833 21.2-160.1 -96.2 103.3 14.0 5.1 57.3 78 78 A T G > S+ 0 0 5 -29,-1.4 -51,-1.7 -2,-1.0 3,-0.9 0.736 81.2 70.1 -56.6 -25.3 14.8 2.2 59.5 79 79 A C G 3 S+ 0 0 8 1,-0.2 -1,-0.3 -53,-0.2 -54,-0.1 0.705 112.7 24.9 -68.0 -22.4 15.1 4.3 62.6 80 80 A V G < S+ 0 0 8 -3,-1.9 2,-0.5 -55,-0.1 -18,-0.5 0.095 96.8 114.9-129.2 24.6 11.4 5.0 62.8 81 81 A A < - 0 0 0 -3,-0.9 -55,-2.9 -4,-0.2 -21,-0.2 -0.854 42.7-165.4-106.1 130.8 10.0 2.0 61.0 82 82 A Y E -E 59 0B 57 -23,-2.5 -23,-2.4 -2,-0.5 2,-0.2 -0.851 27.8-121.3-101.6 139.9 7.8 -0.7 62.5 83 83 A P E -E 58 0B 2 0, 0.0 -25,-0.3 0, 0.0 -59,-0.1 -0.533 22.6-172.9 -78.0 146.4 7.4 -3.9 60.5 84 84 A T S S- 0 0 70 -27,-2.8 2,-0.2 1,-0.2 -26,-0.2 0.344 75.1 -0.2-119.4 7.7 3.7 -4.7 59.6 85 85 A S S S- 0 0 33 -28,-0.6 -1,-0.2 -81,-0.1 -82,-0.1 -0.884 107.7 -54.8-170.0 179.4 4.5 -8.1 58.1 86 86 A D - 0 0 95 -2,-0.2 -29,-0.4 -3,-0.1 2,-0.4 -0.448 67.4-157.0 -66.3 149.7 7.7 -10.1 57.6 87 87 A V E -b 5 0A 1 -83,-2.4 -81,-3.3 -31,-0.2 2,-0.5 -0.982 27.2-159.2-138.9 149.3 10.1 -8.0 55.6 88 88 A V E +bD 6 55A 34 -33,-3.2 -34,-3.6 -2,-0.4 -33,-1.8 -0.992 29.8 172.2-123.9 120.6 13.1 -8.1 53.3 89 89 A I E -bD 7 53A 1 -83,-2.6 -81,-2.6 -2,-0.5 2,-0.5 -0.993 32.0-134.4-139.9 141.9 15.0 -5.0 53.1 90 90 A Q E -bD 8 52A 23 -38,-3.1 -38,-3.1 -2,-0.4 3,-0.2 -0.809 29.7-151.4 -92.2 128.9 18.3 -3.7 51.7 91 91 A T + 0 0 10 -83,-2.3 -81,-0.3 -2,-0.5 -40,-0.2 -0.374 65.8 39.1 -94.0 171.0 20.3 -1.7 54.1 92 92 A H + 0 0 84 -42,-0.3 3,-0.3 -2,-0.1 -41,-0.2 0.879 63.7 143.4 56.9 46.1 22.8 1.2 53.6 93 93 A K > + 0 0 27 -43,-2.5 3,-1.5 -3,-0.2 4,-0.4 0.126 24.2 119.0 -99.6 17.2 20.9 2.8 50.9 94 94 A K G > S+ 0 0 95 -44,-0.4 3,-1.5 -46,-0.3 -1,-0.2 0.876 70.3 56.1 -49.7 -45.0 21.7 6.4 51.9 95 95 A E G 3 S+ 0 0 161 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.736 91.2 73.6 -63.4 -22.9 23.5 7.3 48.6 96 96 A D G < S+ 0 0 69 -3,-1.5 2,-0.3 -46,-0.1 -1,-0.3 0.619 83.2 91.1 -64.5 -18.7 20.4 6.4 46.5 97 97 A L < 0 0 24 -3,-1.5 -50,-0.0 -4,-0.4 -47,-0.0 -0.636 360.0 360.0 -90.5 143.2 18.7 9.5 47.7 98 98 A Y 0 0 272 -2,-0.3 -1,-0.1 0, 0.0 -3,-0.0 -0.365 360.0 360.0-151.4 360.0 18.8 12.8 46.0