==== 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 1J7C . 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) . 5314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 63.3 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 . 10 10.2 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 82 0, 0.0 21,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 164.1 3.1 -10.3 66.8 2 2 A T E -A 21 0A 87 19,-0.2 2,-0.4 20,-0.1 84,-0.1 -0.998 360.0-154.2-128.7 127.3 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,-0.4 -0.810 15.8-123.2-108.6 146.3 7.9 -10.4 62.4 4 4 A K E -A 19 0A 81 -2,-0.4 83,-2.4 15,-0.2 2,-0.5 -0.704 27.9-166.1 -83.6 132.3 10.9 -11.8 60.7 5 5 A V E -Ab 18 87A 0 13,-2.7 13,-2.3 -2,-0.4 2,-0.6 -0.979 5.9-156.8-123.5 121.4 13.1 -9.1 59.1 6 6 A T E -Ab 17 88A 16 81,-3.6 83,-2.9 -2,-0.5 2,-0.6 -0.879 7.2-156.9-102.2 123.2 15.8 -9.9 56.7 7 7 A L E -Ab 16 89A 5 9,-3.5 9,-2.3 -2,-0.6 2,-0.5 -0.873 8.8-169.1-102.0 122.5 18.6 -7.5 56.3 8 8 A I E -Ab 15 90A 37 81,-2.9 83,-2.4 -2,-0.6 2,-0.8 -0.929 13.8-168.6-117.9 125.6 20.6 -7.4 53.1 9 9 A N E >> -A 14 0A 13 5,-2.2 5,-1.9 -2,-0.5 4,-1.8 -0.903 8.2-171.5-108.3 99.5 23.8 -5.6 52.6 10 10 A E T 45S+ 0 0 110 -2,-0.8 -1,-0.2 81,-0.4 82,-0.1 0.905 82.5 51.2 -58.3 -46.9 24.3 -5.8 48.8 11 11 A A T 45S+ 0 0 99 1,-0.2 -1,-0.2 81,-0.1 81,-0.0 0.809 120.4 35.6 -63.5 -29.3 27.8 -4.3 48.7 12 12 A E T 45S- 0 0 139 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.587 102.3-130.6 -99.5 -13.9 28.9 -6.8 51.4 13 13 A G T <5 + 0 0 67 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.882 56.0 146.0 67.1 38.6 26.9 -9.6 50.2 14 14 A T E < -A 9 0A 42 -5,-1.9 -5,-2.2 2,-0.0 2,-0.4 -0.813 32.8-168.1-111.3 153.6 25.5 -10.3 53.7 15 15 A K E +A 8 0A 128 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.978 10.3 177.3-139.8 118.7 22.2 -11.5 54.8 16 16 A H E -A 7 0A 60 -9,-2.3 -9,-3.5 -2,-0.4 2,-0.4 -0.982 15.7-148.3-127.5 139.1 21.1 -11.4 58.4 17 17 A E E +A 6 0A 94 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.889 19.2 174.5-110.3 135.8 17.8 -12.4 59.9 18 18 A I E -A 5 0A 2 -13,-2.3 -13,-2.7 -2,-0.4 2,-0.5 -0.883 28.1-127.1-131.4 161.9 16.2 -10.8 63.0 19 19 A E E -A 4 0A 93 -2,-0.3 -15,-0.2 -15,-0.2 14,-0.0 -0.971 28.4-168.6-114.8 125.2 13.0 -11.0 64.9 20 20 A V E -A 3 0A 0 -17,-2.9 -17,-3.3 -2,-0.5 6,-0.1 -0.960 18.8-128.7-123.3 124.6 11.2 -7.8 65.4 21 21 A P E > -A 2 0A 37 0, 0.0 3,-2.3 0, 0.0 -19,-0.2 -0.316 27.6-118.0 -63.6 144.4 8.2 -7.0 67.6 22 22 A D T 3 S+ 0 0 72 -21,-2.4 -20,-0.1 1,-0.3 60,-0.0 0.640 115.2 47.6 -58.8 -12.6 5.3 -5.2 66.0 23 23 A D T 3 S+ 0 0 118 -22,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.156 96.9 82.3-118.3 21.4 5.9 -2.4 68.3 24 24 A E S < S- 0 0 34 -3,-2.3 2,-0.1 59,-0.1 56,-0.1 -0.969 79.4-115.3-123.5 140.8 9.6 -1.9 68.0 25 25 A Y > - 0 0 52 -2,-0.4 4,-1.9 57,-0.1 57,-0.2 -0.441 26.5-121.2 -71.9 147.6 11.5 0.0 65.3 26 26 A I H > S+ 0 0 0 55,-2.9 4,-2.7 1,-0.2 5,-0.2 0.877 108.4 56.1 -55.6 -42.8 13.7 -2.1 63.1 27 27 A L H > S+ 0 0 0 51,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.933 107.4 48.7 -59.8 -43.5 16.9 -0.2 63.9 28 28 A D H > S+ 0 0 51 50,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.936 111.8 48.5 -62.0 -44.3 16.5 -0.8 67.6 29 29 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.898 109.4 54.3 -63.0 -40.2 15.8 -4.6 67.2 30 30 A A H <>S+ 0 0 0 -4,-2.7 5,-3.1 -5,-0.2 -1,-0.2 0.952 109.5 45.9 -59.0 -50.2 18.8 -4.9 64.9 31 31 A E H ><5S+ 0 0 50 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.956 111.0 52.2 -58.4 -49.5 21.2 -3.4 67.4 32 32 A E H 3<5S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.822 109.6 51.8 -54.1 -35.4 19.8 -5.5 70.2 33 33 A Q T 3<5S- 0 0 80 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.308 129.5 -94.3 -86.6 6.4 20.4 -8.6 68.1 34 34 A G T < 5S+ 0 0 56 -3,-2.3 2,-0.6 -4,-0.2 -3,-0.2 0.554 87.5 116.9 99.1 8.1 23.9 -7.7 67.3 35 35 A Y < - 0 0 76 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.2 -0.893 47.2-155.9-116.0 109.5 23.8 -5.8 64.1 36 36 A D - 0 0 140 -2,-0.6 -9,-0.0 -5,-0.1 -5,-0.0 -0.622 17.7-174.2 -80.6 134.9 24.9 -2.2 64.1 37 37 A L - 0 0 22 -2,-0.3 12,-0.1 -10,-0.1 2,-0.0 -0.883 32.5 -83.7-124.3 156.7 23.4 -0.2 61.2 38 38 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.281 57.2 148.7 -64.6 142.6 24.0 3.3 60.1 39 39 A F + 0 0 95 10,-0.1 8,-0.0 39,-0.1 0, 0.0 -0.985 20.8 167.1-164.1 164.5 22.2 6.2 61.8 40 40 A S S S+ 0 0 81 -2,-0.3 -1,-0.0 6,-0.0 6,-0.0 0.226 81.9 23.5-141.7 -82.5 22.6 9.8 62.7 41 41 A C S S- 0 0 52 1,-0.1 -2,-0.0 2,-0.0 6,-0.0 0.792 73.0-158.1 -65.0 -36.9 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 0.718 70.7 93.1 59.1 24.2 17.5 8.7 65.0 43 43 A A S S- 0 0 61 37,-0.0 -1,-0.1 0, 0.0 37,-0.0 0.262 103.8-101.7-130.5 15.7 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,-1.4 0.676 95.1 102.9 79.0 11.2 13.1 10.2 61.0 45 45 A A S S+ 0 0 55 19,-0.2 2,-0.3 18,-0.1 -1,-0.1 0.106 71.6 41.7-121.8 28.3 14.6 13.5 59.7 46 46 A C S S- 0 0 26 1,-0.0 19,-0.2 -6,-0.0 20,-0.1 -0.861 74.3-118.1-151.3-172.6 17.7 12.5 57.8 47 47 A S S > S+ 0 0 23 -2,-0.3 3,-1.8 1,-0.1 50,-0.1 0.414 77.5 103.5-118.4 4.4 18.7 9.9 55.3 48 48 A T T 3 S+ 0 0 32 1,-0.3 46,-0.3 46,-0.1 44,-0.1 0.840 85.2 44.0 -54.9 -39.9 21.5 8.1 57.1 49 49 A C T 3 S+ 0 0 6 44,-0.1 29,-1.3 43,-0.1 -1,-0.3 0.239 83.1 147.3 -91.4 12.1 19.5 5.0 58.1 50 50 A A E < +C 77 0A 1 -3,-1.8 43,-2.4 27,-0.2 44,-0.4 -0.195 17.7 171.3 -56.7 139.8 17.8 4.6 54.7 51 51 A G E -C 76 0A 0 25,-2.4 25,-2.3 41,-0.2 2,-0.4 -0.838 25.6-127.1-136.1 171.3 17.0 1.1 53.5 52 52 A K E -CD 75 90A 53 38,-3.0 38,-3.2 -2,-0.3 23,-0.2 -0.981 21.5-122.4-133.3 125.5 15.0 -0.2 50.6 53 53 A L E + D 0 89A 35 21,-3.1 36,-0.2 -2,-0.4 3,-0.1 -0.408 25.3 176.4 -67.0 135.9 12.2 -2.6 50.8 54 54 A V E S- 0 0 73 34,-3.5 2,-0.3 1,-0.5 35,-0.2 0.763 74.0 -18.8-100.0 -48.8 12.4 -5.8 48.8 55 55 A S E S+ D 0 88A 64 33,-1.6 33,-3.1 2,-0.0 -1,-0.5 -0.984 101.5 46.3-157.3 158.3 9.2 -7.3 50.2 56 56 A G S S- 0 0 30 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.344 71.6 -89.4 99.3 177.5 6.8 -6.8 53.0 57 57 A T - 0 0 74 29,-0.3 27,-2.6 -2,-0.1 28,-0.6 -0.903 29.6-168.9-129.2 157.7 5.3 -3.7 54.6 58 58 A V E -E 83 0B 28 -2,-0.3 2,-0.6 25,-0.3 23,-0.1 -0.902 22.8-131.2-137.2 164.2 6.2 -1.2 57.3 59 59 A D E +E 82 0B 67 23,-2.9 23,-2.7 -2,-0.3 3,-0.1 -0.975 33.8 159.7-117.2 112.7 4.6 1.6 59.2 60 60 A Q > + 0 0 23 -2,-0.6 3,-3.2 21,-0.2 21,-0.1 -0.029 18.9 140.5-124.9 31.7 6.9 4.6 59.1 61 61 A S T 3 + 0 0 92 1,-0.3 -1,-0.1 3,-0.0 20,-0.1 0.732 67.2 61.3 -45.1 -29.2 4.3 7.2 59.9 62 62 A D T 3 S+ 0 0 84 18,-0.5 -1,-0.3 -3,-0.1 19,-0.1 0.594 81.8 103.4 -80.3 -8.4 6.8 9.0 62.1 63 63 A Q < + 0 0 30 -3,-3.2 -18,-0.1 17,-0.2 -19,-0.1 -0.393 38.4 173.0 -73.7 157.2 9.3 9.7 59.4 64 64 A S + 0 0 87 -20,-2.6 -19,-0.2 -18,-0.1 -1,-0.1 0.412 61.7 71.9-137.5 -10.9 9.5 13.2 57.8 65 65 A F S S+ 0 0 87 -21,-1.4 -20,-0.1 -19,-0.2 2,-0.1 0.934 78.5 77.2 -79.4 -47.0 12.4 13.2 55.5 66 66 A L S S- 0 0 8 -22,-0.2 2,-0.1 -20,-0.1 11,-0.0 -0.376 71.8-136.0 -67.3 141.4 11.3 11.1 52.6 67 67 A D > - 0 0 81 -2,-0.1 4,-2.0 1,-0.1 3,-0.2 -0.436 32.6 -99.2 -88.1 171.4 8.9 12.5 50.0 68 68 A D H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.819 121.9 53.5 -58.8 -36.9 6.0 10.5 48.7 69 69 A D H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 108.1 50.8 -67.1 -38.8 7.7 9.4 45.5 70 70 A Q H 4>S+ 0 0 27 -3,-0.2 5,-2.2 2,-0.2 4,-0.5 0.900 110.7 48.6 -65.2 -40.3 10.7 8.0 47.5 71 71 A I H ><5S+ 0 0 64 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.934 109.1 53.7 -64.0 -41.2 8.3 6.1 49.7 72 72 A E H 3<5S+ 0 0 160 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.881 102.2 58.3 -59.2 -38.0 6.6 4.9 46.5 73 73 A A T 3<5S- 0 0 58 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.614 127.4-100.8 -69.3 -10.6 10.0 3.7 45.4 74 74 A G T < 5 + 0 0 14 -3,-1.8 -21,-3.1 -4,-0.5 -3,-0.2 0.581 67.1 155.2 103.3 10.9 10.2 1.5 48.5 75 75 A Y E < -C 52 0A 32 -5,-2.2 2,-0.3 -23,-0.2 -1,-0.3 -0.512 17.9-174.1 -78.7 144.1 12.5 3.7 50.7 76 76 A V E -C 51 0A 0 -25,-2.3 -25,-2.4 -2,-0.2 2,-1.0 -0.999 28.0-138.8-139.7 137.6 12.4 3.3 54.4 77 77 A L E > -C 50 0A 0 -2,-0.3 3,-1.7 -27,-0.2 -27,-0.2 -0.827 21.7-160.1 -94.3 104.0 14.0 5.2 57.3 78 78 A T G > S+ 0 0 5 -29,-1.3 -51,-1.9 -2,-1.0 3,-0.9 0.727 81.0 70.3 -57.4 -26.3 14.9 2.2 59.6 79 79 A C G 3 S+ 0 0 8 1,-0.2 -1,-0.3 -53,-0.2 -54,-0.1 0.697 112.9 25.8 -68.2 -20.0 15.2 4.3 62.7 80 80 A V G < S+ 0 0 7 -3,-1.7 2,-0.6 -56,-0.1 -18,-0.5 0.058 96.5 114.4-130.2 24.8 11.4 5.0 62.8 81 81 A A < - 0 0 0 -3,-0.9 -55,-2.9 -4,-0.1 -21,-0.2 -0.855 42.4-165.5-108.4 130.7 10.0 2.0 61.0 82 82 A Y E -E 59 0B 59 -23,-2.7 -23,-2.9 -2,-0.6 2,-0.2 -0.824 27.0-122.0-101.3 141.5 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 -0.597 21.3-172.3 -82.5 146.4 7.4 -3.9 60.5 84 84 A T S S- 0 0 69 -27,-2.6 2,-0.3 -2,-0.2 -26,-0.2 0.256 74.8 -0.1-119.3 7.8 3.8 -4.7 59.6 85 85 A S S S- 0 0 32 -28,-0.6 -1,-0.2 -81,-0.1 2,-0.1 -0.908 107.5 -54.2-172.4 179.1 4.6 -8.1 58.2 86 86 A D - 0 0 95 -2,-0.3 2,-0.4 -3,-0.1 -29,-0.3 -0.476 67.6-157.2 -67.2 144.6 7.7 -10.1 57.6 87 87 A V E -b 5 0A 2 -83,-2.4 -81,-3.6 -31,-0.2 2,-0.5 -0.972 26.9-158.7-136.3 147.3 10.1 -8.0 55.6 88 88 A V E +bD 6 55A 35 -33,-3.1 -34,-3.5 -2,-0.4 -33,-1.6 -0.985 30.0 172.4-118.8 120.7 13.1 -8.2 53.3 89 89 A I E -bD 7 53A 0 -83,-2.9 -81,-2.9 -2,-0.5 2,-0.5 -0.993 31.2-136.3-139.5 142.4 15.1 -5.0 53.2 90 90 A Q E -bD 8 52A 27 -38,-3.2 -38,-3.0 -2,-0.4 3,-0.2 -0.818 28.3-152.7 -94.3 129.5 18.3 -3.7 51.8 91 91 A T + 0 0 10 -83,-2.4 -81,-0.4 -2,-0.5 -40,-0.2 -0.389 66.0 41.3 -94.7 173.0 20.4 -1.6 54.1 92 92 A H + 0 0 87 -42,-0.3 3,-0.2 -2,-0.1 -41,-0.2 0.880 66.0 140.2 60.2 44.2 22.9 1.2 53.5 93 93 A K > + 0 0 28 -43,-2.4 3,-1.5 -3,-0.2 4,-0.3 0.201 24.7 113.9-103.3 15.1 20.9 2.8 50.8 94 94 A E G > S+ 0 0 78 -44,-0.4 3,-2.5 -46,-0.3 -1,-0.2 0.885 71.2 59.9 -48.8 -49.3 21.5 6.5 51.7 95 95 A K G 3 S+ 0 0 209 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.756 91.1 70.8 -55.0 -26.3 23.5 7.2 48.5 96 96 A D G < S+ 0 0 68 -3,-1.5 -1,-0.3 -46,-0.1 2,-0.2 0.635 87.8 91.3 -66.0 -15.3 20.4 6.2 46.4 97 97 A L < 0 0 24 -3,-2.5 -50,-0.0 -4,-0.3 -3,-0.0 -0.522 360.0 360.0 -89.0 154.4 18.8 9.4 47.6 98 98 A Y 0 0 268 -2,-0.2 -1,-0.1 0, 0.0 -3,-0.1 0.143 360.0 360.0-159.0 360.0 18.7 12.9 46.2