==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER (IRON-SULFUR PROTEIN) 28-AUG-90 1FXI . COMPND 2 MOLECULE: FERREDOXIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: APHANOTHECE SACRUM; . AUTHOR T.TSUKIHARA . 384 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 1.0 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 . 5 1.3 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 . 55 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 0 0 0 4 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 4 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 . 4 0 8 0 1 2 1 0 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 . 0 0 0 4 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 72 0, 0.0 20,-0.2 0, 0.0 82,-0.0 0.000 360.0 360.0 360.0 -32.2 68.4 44.6 23.3 2 2 A S - 0 0 59 17,-0.2 2,-0.3 18,-0.1 82,-0.1 -0.262 360.0-173.9-167.0 79.9 69.5 48.3 23.4 3 3 A Y E -A 18 0A 67 15,-1.5 15,-2.3 80,-0.2 2,-0.9 -0.513 28.6-124.2 -82.4 139.2 69.6 50.3 20.2 4 4 A K E -A 17 0A 63 -2,-0.3 81,-2.4 13,-0.2 2,-0.5 -0.758 34.9-174.0 -78.3 106.2 71.0 53.7 20.2 5 5 A V E -Ab 16 85A 0 11,-1.3 11,-2.3 -2,-0.9 2,-0.4 -0.936 11.0-156.6-112.5 132.6 68.2 55.8 18.8 6 6 A T E -Ab 15 86A 34 79,-2.8 81,-2.2 -2,-0.5 2,-0.5 -0.877 4.9-158.4 -96.4 128.9 68.7 59.6 18.1 7 7 A L E -Ab 14 87A 8 7,-2.8 7,-1.9 -2,-0.4 2,-1.2 -0.991 8.6-149.2-117.1 125.8 65.6 61.8 18.0 8 8 A K E +Ab 13 88A 90 79,-2.4 81,-1.3 -2,-0.5 82,-0.4 -0.796 35.7 171.8 -98.8 94.2 66.0 65.1 16.2 9 9 A T E > -A 12 0A 12 3,-2.0 3,-1.2 -2,-1.2 26,-0.1 -0.507 50.5 -83.0 -99.4 169.7 63.6 67.1 18.2 10 10 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 0.858 125.6 35.9 -29.1 -79.5 62.7 70.8 18.2 11 11 A D T 3 S- 0 0 92 -3,-0.0 2,-0.3 253,-0.0 253,-0.1 0.376 124.4 -47.6 -61.3 -14.6 65.7 71.6 20.6 12 12 A G E < -A 9 0A 27 -3,-1.2 -3,-2.0 2,-0.1 2,-0.8 -0.927 66.9 -65.1 163.9-177.5 68.5 69.3 19.5 13 13 A D E -A 8 0A 102 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.925 50.9-173.7-102.3 98.1 69.5 65.8 18.6 14 14 A N E -A 7 0A 41 -7,-1.9 -7,-2.8 -2,-0.8 2,-0.7 -0.724 11.9-148.2 -96.2 143.9 69.1 63.8 21.8 15 15 A V E +A 6 0A 21 -2,-0.4 -9,-0.3 -9,-0.2 372,-0.2 -0.896 19.0 175.7-119.6 115.0 70.3 60.2 21.8 16 16 A I E -A 5 0A 4 -11,-2.3 -11,-1.3 -2,-0.7 2,-0.4 -0.377 23.0-140.0 -96.3 176.0 68.5 57.7 23.9 17 17 A T E -A 4 0A 19 -13,-0.3 -13,-0.2 -2,-0.1 -14,-0.1 -0.983 24.2-170.8-140.7 126.2 69.2 53.9 24.1 18 18 A V E -A 3 0A 1 -15,-2.3 -15,-1.5 -2,-0.4 2,-0.2 -0.993 22.1-122.7-131.7 142.0 66.0 51.8 24.3 19 19 A P > - 0 0 42 0, 0.0 3,-2.4 0, 0.0 -17,-0.2 -0.605 32.7-111.5 -74.7 153.6 65.7 48.1 24.9 20 20 A D T 3 S+ 0 0 75 1,-0.3 -18,-0.1 -2,-0.2 3,-0.0 0.417 117.0 55.6 -68.4 2.0 63.8 46.2 22.2 21 21 A D T 3 S+ 0 0 108 -20,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.280 93.7 86.9-118.4 14.5 60.9 45.6 24.5 22 22 A E S < S- 0 0 67 -3,-2.4 2,-0.1 59,-0.1 56,-0.1 -0.988 79.4-121.4-121.6 128.0 60.4 49.3 25.3 23 23 A Y >> - 0 0 33 -2,-0.4 4,-2.1 54,-0.1 3,-0.8 -0.452 30.6-119.4 -63.7 135.5 58.3 51.8 23.2 24 24 A I H 3> S+ 0 0 3 55,-1.2 4,-2.1 1,-0.3 53,-0.2 0.657 113.6 45.1 -54.6 -27.8 60.5 54.6 22.1 25 25 A L H 3> S+ 0 0 7 51,-1.4 4,-2.8 2,-0.2 5,-0.3 0.733 102.3 65.2 -88.9 -27.3 58.4 57.3 23.9 26 26 A D H <> S+ 0 0 77 -3,-0.8 4,-1.6 50,-0.3 -2,-0.2 0.989 114.4 34.5 -54.8 -50.3 58.3 55.1 27.1 27 27 A V H X S+ 0 0 13 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.923 113.4 57.2 -62.2 -56.8 62.0 55.7 27.1 28 28 A A H X>S+ 0 0 7 -4,-2.1 5,-2.2 1,-0.2 4,-1.1 0.853 110.1 46.6 -40.3 -49.9 62.0 59.2 25.7 29 29 A E H <5S+ 0 0 87 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.879 108.6 52.8 -63.4 -46.2 59.8 60.3 28.6 30 30 A E H <5S+ 0 0 82 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.886 105.9 55.8 -57.2 -41.8 61.8 58.6 31.3 31 31 A E H <5S- 0 0 28 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.841 129.5-104.7 -60.2 -37.2 64.8 60.4 29.9 32 32 A G T <5S+ 0 0 33 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.443 77.4 124.1 120.6 18.6 62.7 63.5 30.5 33 33 A L < - 0 0 36 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.2 -0.609 45.7-134.7-108.6 164.2 61.6 64.5 27.0 34 34 A D + 0 0 67 -2,-0.3 -1,-0.0 215,-0.1 -6,-0.0 -0.626 22.6 167.3-113.4 163.4 58.5 65.1 25.1 35 35 A L - 0 0 12 -2,-0.2 2,-0.3 -26,-0.1 12,-0.1 -0.700 51.6-102.2-172.7 140.2 57.0 64.2 21.9 36 36 A P + 0 0 56 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.679 51.0 163.6 -75.6 135.9 53.3 65.0 21.8 37 37 A Y - 0 0 116 -2,-0.3 -2,-0.0 10,-0.1 39,-0.0 -0.928 21.5-179.2-143.7 172.0 50.8 62.0 22.2 38 38 A S S S+ 0 0 71 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.348 77.9 25.8-123.6 -88.4 47.1 61.4 23.0 39 39 A C S S- 0 0 52 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.607 75.8-139.0 -67.2 -25.3 45.8 57.8 23.2 40 40 A R S S+ 0 0 219 1,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.473 87.5 89.8 69.3 4.6 49.0 56.0 24.2 41 41 A A S S- 0 0 53 37,-0.0 22,-0.2 22,-0.0 -1,-0.0 0.467 101.0-111.1-120.5 -6.8 47.5 53.6 21.6 42 42 A G S S+ 0 0 2 20,-0.2 19,-0.1 22,-0.1 23,-0.1 0.746 83.2 124.8 80.0 18.3 48.5 54.2 18.0 43 43 A A S S+ 0 0 47 19,-0.1 2,-0.2 21,-0.1 -1,-0.0 0.352 71.9 13.9 -87.2 -14.6 44.9 55.1 17.6 44 44 A C S S- 0 0 25 21,-0.1 -7,-0.0 31,-0.0 31,-0.0 -0.531 76.2-100.0-147.0-154.8 46.0 58.5 16.2 45 45 A S S > S+ 0 0 31 -2,-0.2 3,-1.8 3,-0.1 46,-0.2 0.598 80.1 96.9-118.3 -23.2 48.6 60.8 14.7 46 46 A T T 3 S+ 0 0 26 1,-0.3 46,-0.3 45,-0.1 45,-0.2 0.698 86.5 45.6 -41.7 -42.9 49.9 63.1 17.4 47 47 A C T 3 S+ 0 0 1 -12,-0.1 29,-1.0 43,-0.1 -1,-0.3 -0.043 84.3 153.1 -97.4 23.4 53.1 61.1 18.4 48 48 A A E < -C 75 0A 1 -3,-1.8 43,-1.2 27,-0.2 2,-0.3 -0.280 20.8-174.2 -64.4 134.1 54.1 60.6 14.8 49 49 A G E -C 74 0A 0 25,-3.0 25,-0.5 41,-0.1 2,-0.4 -0.753 18.6-138.7-118.5 168.2 57.8 60.2 13.9 50 50 A K E -CD 73 88A 53 38,-2.1 38,-2.3 -2,-0.3 2,-0.4 -0.993 21.0-128.0-132.7 124.4 59.7 59.9 10.7 51 51 A L E + D 0 87A 33 21,-1.9 36,-0.3 -2,-0.4 3,-0.1 -0.651 28.0 174.9 -73.2 131.4 62.6 57.4 10.4 52 52 A V E S- 0 0 70 34,-2.8 2,-0.3 1,-0.5 -1,-0.2 0.858 70.1 -7.3 -91.3 -64.8 65.7 59.2 9.1 53 53 A S E S+ D 0 86A 70 33,-0.9 33,-2.5 0, 0.0 -1,-0.5 -0.888 98.6 52.6-130.0 160.8 68.0 56.3 9.4 54 54 A G S S- 0 0 49 -2,-0.3 31,-0.2 31,-0.3 30,-0.1 -0.765 84.8 -55.3 114.9-157.1 67.9 52.7 10.8 55 55 A P S S- 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.881 73.0 -87.9 -82.5 -98.6 65.8 49.6 10.5 56 56 A A - 0 0 49 24,-0.1 2,-0.5 -3,-0.0 14,-0.0 -0.687 36.5-111.5 177.7 138.2 62.1 50.2 11.2 57 57 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 -6,-0.0 -0.753 42.4-100.7 -84.7 131.2 60.7 49.9 14.7 58 58 A D B +E 80 0B 62 22,-1.2 22,-0.7 -2,-0.5 0, 0.0 -0.283 50.1 171.9 -51.7 102.7 58.4 46.9 15.0 59 59 A E + 0 0 23 -2,-0.5 2,-3.4 20,-0.2 -1,-0.2 0.088 32.0 129.5-108.0 32.0 55.1 48.9 14.7 60 60 A D S S+ 0 0 110 1,-0.2 3,-0.1 20,-0.1 -2,-0.1 -0.546 73.1 51.4 -75.5 71.0 53.1 45.7 14.4 61 61 A Q S S+ 0 0 101 -2,-3.4 2,-1.2 1,-0.2 -1,-0.2 -0.156 90.9 57.4-160.5 -74.6 51.0 47.4 17.2 62 62 A S S S+ 0 0 0 16,-0.7 -1,-0.2 1,-0.1 13,-0.2 -0.781 75.2 132.7 -75.1 101.3 49.8 50.8 16.7 63 63 A F + 0 0 62 -2,-1.2 2,-4.4 -22,-0.2 -1,-0.1 0.480 28.6 87.7-133.5 -91.0 47.8 50.4 13.6 64 64 A L S S+ 0 0 157 1,-0.2 2,-0.9 3,-0.0 -1,-0.1 0.608 79.3 118.4 12.1 12.6 44.2 51.4 12.4 65 65 A D S > S- 0 0 34 -2,-4.4 3,-0.5 1,-0.1 -1,-0.2 -0.848 91.0 -81.2-117.3 101.0 46.6 54.3 11.6 66 66 A D T 3 - 0 0 142 -2,-0.9 2,-1.6 1,-0.2 -1,-0.1 0.442 53.5 -99.6 -4.7 108.8 46.6 54.8 7.9 67 67 A D T 3 S+ 0 0 145 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 -0.175 86.7 109.7 -44.3 66.2 49.0 52.2 6.2 68 68 A Q X > + 0 0 83 -2,-1.6 5,-1.0 -3,-0.5 3,-0.6 -0.265 17.8 125.8-141.3 45.9 52.1 54.3 5.6 69 69 A I T 3 5S+ 0 0 50 1,-0.2 3,-0.4 3,-0.2 -1,-0.1 0.923 75.2 69.5 -66.1 -34.8 54.7 53.0 8.0 70 70 A Q T 3 5S+ 0 0 158 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.343 80.2 65.9 -47.2 -38.5 56.6 52.7 4.7 71 71 A A T < 5S- 0 0 30 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.1 0.571 131.4 -96.0 -64.9 -14.8 57.0 56.4 4.1 72 72 A G T 5S+ 0 0 18 -3,-0.4 -21,-1.9 1,-0.2 2,-1.4 0.382 81.6 150.9 103.3 6.1 59.2 56.0 7.1 73 73 A Y E < +C 50 0A 46 -5,-1.0 2,-0.3 -23,-0.2 -1,-0.2 -0.566 18.1 173.9 -83.1 106.4 56.2 57.1 9.1 74 74 A I E -C 49 0A 3 -2,-1.4 -25,-3.0 -25,-0.5 2,-1.0 -0.792 29.5-132.9 -94.2 138.6 56.4 55.4 12.5 75 75 A L E > -C 48 0A 10 -2,-0.3 3,-2.6 -27,-0.2 -27,-0.2 -0.613 14.5-155.0 -98.8 87.9 54.1 56.0 15.6 76 76 A T G > S+ 0 0 4 -29,-1.0 -51,-1.4 -2,-1.0 3,-0.8 0.491 84.4 63.0 -42.3 -21.8 56.3 56.5 18.7 77 77 A C G 3 S+ 0 0 5 1,-0.3 -1,-0.3 -53,-0.2 -54,-0.1 0.604 118.2 29.7 -85.2 -13.3 53.8 55.5 21.5 78 78 A V G < S+ 0 0 6 -3,-2.6 -16,-0.7 -16,-0.1 2,-0.4 -0.307 95.8 123.7-138.0 42.9 53.7 52.0 20.0 79 79 A A < - 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