==== 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-APR-93 1FRD . COMPND 2 MOLECULE: HETEROCYST [2FE-2S] FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR B.L.JACOBSON,Y.K.CHAE,J.L.MARKLEY,I.RAYMENT,H.M.HOLDEN . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5471.0 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 . 8 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.2 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 75 0, 0.0 21,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 155.5 -19.9 31.9 -4.3 2 2 A S E -A 21 0A 56 19,-0.3 2,-0.3 20,-0.1 19,-0.3 -0.870 360.0-160.8-117.7 153.9 -18.5 28.9 -6.0 3 3 A Y E -A 20 0A 56 17,-3.0 17,-2.7 -2,-0.3 2,-0.5 -0.926 21.4-116.2-132.1 156.5 -16.1 28.9 -8.9 4 4 A Q E -A 19 0A 97 -2,-0.3 83,-2.4 15,-0.2 2,-0.5 -0.789 29.1-166.5 -94.3 130.8 -15.1 26.5 -11.6 5 5 A V E -Ab 18 87A 0 13,-3.0 13,-2.1 -2,-0.5 2,-0.5 -0.952 6.8-153.8-120.9 117.9 -11.5 25.4 -11.4 6 6 A R E -Ab 17 88A 100 81,-3.6 83,-3.3 -2,-0.5 2,-0.5 -0.831 10.2-158.1 -96.0 127.4 -9.9 23.6 -14.3 7 7 A L E -Ab 16 89A 0 9,-3.4 9,-1.6 -2,-0.5 2,-0.4 -0.914 9.8-168.1-107.2 127.1 -7.0 21.3 -13.3 8 8 A I E +Ab 15 90A 44 81,-2.7 83,-2.3 -2,-0.5 7,-0.2 -0.956 25.2 139.3-127.0 136.1 -4.4 20.3 -15.9 9 9 A N E > -A 14 0A 19 5,-2.7 5,-3.2 -2,-0.4 4,-0.4 -0.633 22.8-167.4-167.1 100.8 -1.7 17.8 -16.1 10 10 A K T > 5S+ 0 0 177 3,-0.2 3,-2.4 1,-0.2 -1,-0.1 0.954 88.7 54.1 -56.4 -56.5 -1.0 15.8 -19.2 11 11 A K T 3 5S+ 0 0 175 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.847 115.5 41.1 -47.9 -38.2 1.4 13.2 -17.6 12 12 A Q T 3 5S- 0 0 101 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.477 112.9-123.6 -90.5 0.0 -1.2 12.4 -15.0 13 13 A D T < 5 + 0 0 135 -3,-2.4 2,-0.5 -4,-0.4 -3,-0.2 0.980 59.9 147.5 58.3 56.0 -3.9 12.5 -17.6 14 14 A I E < +A 9 0A 24 -5,-3.2 -5,-2.7 1,-0.1 -1,-0.2 -0.985 11.9 143.0-126.3 136.7 -5.8 15.1 -15.8 15 15 A D E +A 8 0A 80 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.378 32.6 137.5-164.2 67.8 -7.9 17.8 -17.5 16 16 A T E -A 7 0A 68 -9,-1.6 -9,-3.4 -11,-0.0 2,-0.4 -0.951 43.7-141.0-131.1 151.4 -10.9 18.3 -15.4 17 17 A T E -A 6 0A 68 -2,-0.4 2,-0.3 -11,-0.3 -11,-0.2 -0.823 21.7-172.5-103.9 135.7 -13.0 21.1 -14.2 18 18 A I E -A 5 0A 8 -13,-2.1 -13,-3.0 -2,-0.4 2,-0.6 -0.920 21.0-130.0-128.4 155.7 -14.5 21.0 -10.7 19 19 A E E +A 4 0A 125 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.940 36.1 170.7-110.1 119.2 -16.9 23.3 -9.0 20 20 A I E -A 3 0A 8 -17,-2.7 -17,-3.0 -2,-0.6 2,-0.1 -0.948 34.9-108.7-133.6 152.8 -15.8 24.5 -5.6 21 21 A D E > -A 2 0A 69 -2,-0.3 3,-1.7 -19,-0.3 -19,-0.3 -0.317 32.8-118.6 -70.4 152.1 -16.9 26.9 -3.0 22 22 A E T 3 S+ 0 0 55 -21,-2.6 -1,-0.1 1,-0.3 -20,-0.1 0.701 112.8 58.2 -69.1 -12.5 -14.7 30.0 -2.5 23 23 A E T 3 S+ 0 0 162 -22,-0.2 2,-0.4 59,-0.1 -1,-0.3 0.367 90.9 89.0 -96.5 8.8 -13.9 29.0 1.1 24 24 A T S < S- 0 0 35 -3,-1.7 -4,-0.1 59,-0.1 2,-0.0 -0.875 79.7-123.1-105.3 132.9 -12.5 25.7 -0.0 25 25 A T > - 0 0 5 -2,-0.4 4,-2.6 57,-0.1 5,-0.3 -0.341 23.5-114.8 -70.0 157.9 -8.8 25.4 -1.0 26 26 A I H > S+ 0 0 0 55,-2.9 4,-2.5 52,-0.4 5,-0.2 0.930 115.9 48.2 -59.5 -42.1 -7.8 24.1 -4.4 27 27 A L H > S+ 0 0 1 51,-1.9 4,-2.6 54,-0.3 -1,-0.2 0.949 112.2 47.0 -65.1 -44.8 -6.2 21.0 -3.0 28 28 A D H > S+ 0 0 61 50,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.912 112.5 51.4 -62.4 -40.3 -9.1 20.1 -0.7 29 29 A G H X S+ 0 0 0 -4,-2.6 4,-0.7 2,-0.2 6,-0.2 0.921 110.5 47.7 -63.0 -46.2 -11.6 20.7 -3.5 30 30 A A H ><>S+ 0 0 0 -4,-2.5 5,-3.0 -5,-0.3 3,-1.3 0.950 110.5 52.7 -63.0 -40.3 -9.7 18.5 -5.8 31 31 A E H ><5S+ 0 0 75 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.909 106.3 51.8 -61.2 -41.1 -9.4 15.8 -3.1 32 32 A E H 3<5S+ 0 0 152 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.587 108.5 54.2 -71.8 -9.0 -13.2 15.8 -2.5 33 33 A N T <<5S- 0 0 86 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.141 124.0-100.5-106.0 12.6 -13.6 15.3 -6.3 34 34 A G T < 5S+ 0 0 71 -3,-1.5 2,-0.8 1,-0.2 -3,-0.2 0.625 81.3 131.7 81.2 9.4 -11.4 12.3 -6.5 35 35 A I < - 0 0 23 -5,-3.0 2,-0.9 -6,-0.2 -1,-0.2 -0.830 46.0-152.0-101.5 109.7 -8.4 14.1 -7.8 36 36 A E + 0 0 163 -2,-0.8 -9,-0.0 -3,-0.1 -5,-0.0 -0.684 19.9 177.3 -83.6 106.9 -5.3 13.2 -5.9 37 37 A L - 0 0 3 -2,-0.9 12,-0.1 -10,-0.2 2,-0.0 -0.772 34.9 -97.6-105.0 151.4 -2.8 16.1 -6.0 38 38 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.317 51.7 150.5 -70.6 153.1 0.5 16.0 -4.2 39 39 A F + 0 0 97 10,-0.1 8,-0.0 39,-0.1 0, 0.0 -0.947 18.8 171.3-172.2 160.6 1.0 17.6 -0.8 40 40 A S S S+ 0 0 90 -2,-0.3 -1,-0.0 6,-0.0 0, 0.0 0.385 80.3 26.6-136.2 -77.0 3.1 17.2 2.3 41 41 A C S S- 0 0 38 1,-0.1 -2,-0.0 0, 0.0 6,-0.0 0.781 70.3-158.6 -69.4 -34.4 2.9 19.9 4.9 42 42 A H S S+ 0 0 71 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.773 74.1 88.2 57.3 22.4 -0.6 21.2 4.1 43 43 A S S S- 0 0 74 37,-0.0 -1,-0.1 0, 0.0 37,-0.0 0.359 103.6-102.9-134.6 8.8 0.6 24.4 5.8 44 44 A G S S+ 0 0 0 19,-0.1 21,-2.3 20,-0.1 20,-2.0 0.537 92.1 102.8 84.3 8.0 2.2 26.5 3.2 45 45 A S S S+ 0 0 65 19,-0.2 2,-0.3 18,-0.1 18,-0.0 0.202 71.7 55.1-111.8 18.2 5.9 26.0 4.0 46 46 A C S S- 0 0 31 1,-0.0 3,-0.2 20,-0.0 19,-0.2 -0.842 73.8-122.9-140.3 175.4 6.9 23.5 1.2 47 47 A S S > S+ 0 0 33 -2,-0.3 3,-1.7 1,-0.1 46,-0.1 0.476 79.3 102.7 -98.0 -3.6 6.9 23.1 -2.5 48 48 A S T 3 S+ 0 0 20 1,-0.3 46,-0.3 29,-0.1 -1,-0.1 0.839 83.8 36.3 -47.2 -47.4 5.0 19.9 -2.6 49 49 A C T 3 S+ 0 0 5 -3,-0.2 29,-1.1 -12,-0.1 -1,-0.3 0.303 83.4 145.9 -96.2 12.8 1.6 21.0 -3.7 50 50 A V E < +C 77 0A 1 -3,-1.7 43,-1.8 27,-0.2 44,-0.4 -0.125 17.5 170.0 -57.2 141.0 2.7 23.8 -6.1 51 51 A G E -C 76 0A 0 25,-2.5 25,-2.2 41,-0.2 2,-0.4 -0.782 30.2-118.1-136.4 179.3 0.7 24.5 -9.1 52 52 A K E -CD 75 90A 60 38,-2.4 38,-2.9 23,-0.3 2,-0.7 -0.988 18.4-133.6-131.7 123.4 0.7 27.3 -11.7 53 53 A V E + D 0 89A 25 21,-3.4 36,-0.2 -2,-0.4 3,-0.1 -0.656 24.3 178.4 -77.3 111.7 -2.2 29.6 -12.2 54 54 A V E S- 0 0 78 34,-2.4 2,-0.3 -2,-0.7 35,-0.2 0.828 70.2 -4.3 -80.5 -37.7 -2.8 29.8 -16.0 55 55 A E E S+ D 0 88A 134 33,-1.6 33,-2.4 19,-0.1 -1,-0.3 -0.961 104.3 39.6-157.7 145.7 -5.8 32.0 -15.9 56 56 A G S S- 0 0 26 -2,-0.3 2,-0.4 31,-0.2 31,-0.2 -0.280 75.4 -77.7 103.2 171.4 -7.9 33.5 -13.1 57 57 A E + 0 0 132 29,-0.3 27,-3.2 -2,-0.1 28,-0.8 -0.892 41.2 178.0-115.5 144.4 -7.3 35.0 -9.7 58 58 A V E -E 83 0B 32 -2,-0.4 2,-0.5 25,-0.3 23,-0.0 -0.836 25.7-127.8-135.4 171.3 -6.6 33.3 -6.4 59 59 A D E +E 82 0B 42 23,-2.6 23,-2.3 -2,-0.3 3,-0.1 -0.985 34.8 153.0-125.5 120.2 -5.9 34.1 -2.8 60 60 A Q > + 0 0 25 -2,-0.5 3,-2.4 21,-0.2 17,-0.1 -0.086 22.8 134.7-135.1 34.0 -2.8 32.5 -1.2 61 61 A S T 3 + 0 0 88 1,-0.3 20,-0.1 3,-0.0 -1,-0.1 0.750 67.2 62.4 -58.5 -22.7 -2.1 35.0 1.4 62 62 A D T 3 S+ 0 0 102 18,-0.5 -1,-0.3 -3,-0.1 19,-0.1 0.439 83.9 108.6 -82.6 2.3 -1.5 32.3 4.1 63 63 A Q < + 0 0 27 -3,-2.4 -18,-0.1 17,-0.2 -19,-0.1 -0.293 39.9 175.1 -75.5 165.1 1.4 30.9 2.1 64 64 A I + 0 0 113 -20,-2.0 -19,-0.2 -18,-0.1 -1,-0.1 0.572 61.8 67.0-134.9 -34.4 4.9 31.2 3.2 65 65 A F S S+ 0 0 95 -21,-2.3 -20,-0.1 -19,-0.2 -18,-0.1 0.908 83.3 74.6 -60.1 -51.0 7.3 29.4 0.9 66 66 A L - 0 0 7 -22,-0.2 2,-0.2 -20,-0.1 11,-0.0 -0.309 68.9-138.7 -72.7 150.6 7.0 31.2 -2.4 67 67 A D > - 0 0 83 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.554 31.2 -97.1-100.4 171.6 8.6 34.5 -3.1 68 68 A D H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.850 122.1 52.1 -53.8 -45.3 7.1 37.5 -5.0 69 69 A E H > S+ 0 0 118 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.922 110.7 47.0 -62.0 -44.7 8.8 36.6 -8.2 70 70 A Q H 4>S+ 0 0 23 1,-0.2 5,-2.0 2,-0.2 3,-0.3 0.918 113.9 48.3 -60.4 -44.4 7.5 33.0 -8.1 71 71 A M H ><5S+ 0 0 52 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.871 105.4 59.3 -63.4 -36.4 4.0 34.2 -7.3 72 72 A G H 3<5S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.850 101.3 54.1 -63.0 -34.5 4.2 36.8 -10.0 73 73 A K T 3<5S- 0 0 114 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.455 127.8 -99.3 -80.2 1.0 4.8 34.0 -12.6 74 74 A G T < 5S+ 0 0 15 -3,-1.8 -21,-3.4 1,-0.3 -3,-0.2 0.437 70.8 148.2 99.7 1.6 1.6 32.3 -11.3 75 75 A F E < -C 52 0A 15 -5,-2.0 2,-0.3 -23,-0.3 -1,-0.3 -0.499 21.6-179.8 -71.3 145.2 2.9 29.7 -9.0 76 76 A A E -C 51 0A 0 -25,-2.2 -25,-2.5 -2,-0.1 2,-1.1 -0.998 33.9-125.1-147.9 140.3 0.6 28.9 -6.1 77 77 A L E > -C 50 0A 0 -2,-0.3 3,-2.1 -27,-0.2 -27,-0.2 -0.776 26.6-156.1 -88.2 102.2 0.8 26.5 -3.1 78 78 A L G > S+ 0 0 3 -29,-1.1 -51,-1.9 -2,-1.1 3,-1.0 0.666 83.3 68.5 -55.0 -25.0 -2.5 24.7 -3.6 79 79 A C G 3 S+ 0 0 4 1,-0.3 -1,-0.3 -53,-0.2 -54,-0.1 0.614 115.1 29.0 -71.5 -14.1 -2.9 23.6 0.0 80 80 A V G < S+ 0 0 12 -3,-2.1 -18,-0.5 -55,-0.0 2,-0.5 0.084 97.7 108.1-130.7 22.8 -3.5 27.3 0.9 81 81 A T < - 0 0 0 -3,-1.0 -55,-2.9 -21,-0.1 -54,-0.3 -0.902 43.1-170.6-111.8 133.4 -5.0 28.7 -2.3 82 82 A Y E -E 59 0B 55 -23,-2.3 -23,-2.6 -2,-0.5 2,-0.2 -0.928 27.7-113.1-118.1 140.0 -8.6 29.7 -2.6 83 83 A P E -E 58 0B 0 0, 0.0 -25,-0.3 0, 0.0 3,-0.1 -0.504 25.1-178.2 -74.1 141.9 -10.2 30.7 -6.0 84 84 A R S S+ 0 0 94 -27,-3.2 2,-0.3 1,-0.2 -26,-0.2 0.327 76.4 0.6-117.1 -0.0 -11.3 34.3 -6.4 85 85 A S S S- 0 0 34 -28,-0.8 -1,-0.2 -81,-0.1 -82,-0.1 -0.951 103.1 -61.8-167.7 176.9 -12.7 33.6 -9.9 86 86 A N S S+ 0 0 97 -2,-0.3 2,-0.3 -83,-0.1 -29,-0.3 -0.464 70.4 178.6 -67.4 148.1 -13.1 30.7 -12.3 87 87 A C E -b 5 0A 4 -83,-2.4 -81,-3.6 -31,-0.2 2,-0.4 -0.979 33.7-135.1-151.4 167.1 -9.5 29.6 -13.0 88 88 A T E -bD 6 55A 23 -33,-2.4 -34,-2.4 -2,-0.3 -33,-1.6 -0.993 27.2-177.6-126.1 128.8 -7.2 27.2 -14.8 89 89 A I E -bD 7 53A 0 -83,-3.3 -81,-2.7 -2,-0.4 2,-0.5 -0.994 23.4-140.7-134.3 134.3 -4.3 25.7 -13.0 90 90 A K E -bD 8 52A 88 -38,-2.9 -38,-2.4 -2,-0.4 3,-0.3 -0.779 29.3-150.3 -91.7 132.4 -1.6 23.3 -14.0 91 91 A T + 0 0 1 -83,-2.3 -40,-0.1 -2,-0.5 -41,-0.1 -0.366 66.0 36.6 -94.7 173.6 -0.8 20.8 -11.3 92 92 A H + 0 0 40 -42,-0.2 -1,-0.2 -43,-0.1 -41,-0.2 0.884 63.9 147.4 51.3 45.1 2.3 19.0 -10.3 93 93 A Q >> + 0 0 9 -43,-1.8 3,-1.0 -3,-0.3 4,-0.6 0.327 30.4 111.9 -91.9 6.8 4.7 21.9 -11.0 94 94 A E G >4 S+ 0 0 81 -44,-0.4 3,-1.3 -46,-0.3 -1,-0.2 0.874 76.0 51.0 -48.5 -47.8 7.1 21.1 -8.3 95 95 A P G 34 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.754 110.6 50.3 -61.2 -27.5 10.0 20.1 -10.8 96 96 A Y G <4 S+ 0 0 127 -3,-1.0 2,-1.1 -4,-0.1 -2,-0.2 0.419 80.3 115.5 -89.3 -6.6 9.5 23.4 -12.7 97 97 A L << 0 0 22 -3,-1.3 -3,-0.0 -4,-0.6 -50,-0.0 -0.573 360.0 360.0 -75.2 106.6 9.7 25.4 -9.6 98 98 A A 0 0 134 -2,-1.1 -1,-0.1 -28,-0.0 -2,-0.1 -0.705 360.0 360.0 -74.7 360.0 12.8 27.3 -10.1