==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 08-APR-96 1DOI . COMPND 2 MOLECULE: 2FE-2S FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOARCULA MARISMORTUI; . AUTHOR F.FROLOW,M.HAREL,J.L.SUSSMAN,M.SHOHAM . 128 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 15.6 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 . 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 3 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 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 PARALLEL BRIDGES PER LADDER . 0 0 2 1 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 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 P 0 0 30 0, 0.0 41,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 169.6 -17.1 16.8 26.5 2 2 A T E -Ab 41 110A 26 107,-1.8 109,-2.5 39,-0.2 2,-0.6 -0.990 360.0-167.8-117.1 125.9 -17.8 17.6 22.9 3 3 A V E -Ab 40 111A 0 37,-2.8 37,-2.8 -2,-0.5 2,-0.4 -0.977 6.1-159.2-113.2 115.2 -14.8 17.9 20.6 4 4 A E E -Ab 39 112A 21 107,-2.5 109,-2.9 -2,-0.6 2,-0.3 -0.803 21.5-170.4 -87.0 141.3 -15.6 19.5 17.2 5 5 A Y E -Ab 38 113A 2 33,-2.4 33,-1.6 -2,-0.4 2,-0.4 -0.953 21.5-168.8-141.3 153.1 -12.9 18.5 14.8 6 6 A L E -Ab 37 114A 0 107,-0.9 109,-1.8 -2,-0.3 2,-0.4 -0.993 31.7-117.0-142.4 129.4 -11.8 19.4 11.3 7 7 A N E >> - b 0 115A 9 29,-2.4 3,-1.9 -2,-0.4 4,-0.9 -0.652 21.3-133.7 -71.4 129.2 -9.3 17.4 9.2 8 8 A Y H 3> S+ 0 0 31 107,-3.2 4,-2.7 -2,-0.4 5,-0.2 0.756 101.0 70.1 -52.7 -35.3 -6.3 19.6 8.5 9 9 A E H 3> S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.814 97.3 52.4 -57.1 -28.2 -6.2 18.5 4.8 10 10 A V H <> S+ 0 0 5 -3,-1.9 4,-1.6 2,-0.2 6,-0.2 0.888 110.5 47.0 -70.6 -44.5 -9.5 20.5 4.3 11 11 A V H X>S+ 0 0 2 -4,-0.9 5,-1.8 1,-0.2 4,-0.5 0.949 115.8 46.5 -57.9 -47.5 -7.8 23.6 5.9 12 12 A D H ><5S+ 0 0 90 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.878 110.7 50.6 -70.5 -39.9 -4.8 23.0 3.7 13 13 A D H 3<5S+ 0 0 127 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.836 113.8 46.0 -67.7 -28.4 -6.8 22.4 0.4 14 14 A N H 3<5S- 0 0 73 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.538 107.3-123.3 -92.3 -3.5 -8.7 25.6 0.9 15 15 A G T <<5 + 0 0 67 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.686 58.5 155.2 69.3 15.9 -5.6 27.8 1.8 16 16 A W < - 0 0 35 -5,-1.8 2,-0.5 -6,-0.2 -1,-0.2 -0.235 41.9-137.7 -70.4 161.6 -7.4 28.7 5.1 17 17 A D >> - 0 0 70 -3,-0.1 4,-2.4 1,-0.0 3,-0.5 -0.988 17.0-132.6-123.0 131.8 -5.5 29.8 8.2 18 18 A M T 34 S+ 0 0 19 -2,-0.5 5,-0.1 1,-0.2 -1,-0.0 0.544 103.7 41.2 -70.3 -3.8 -6.9 28.1 11.3 19 19 A Y T 34 S+ 0 0 129 3,-0.1 -1,-0.2 4,-0.1 -3,-0.0 0.541 121.4 37.3-119.7 -19.1 -7.0 31.5 13.2 20 20 A D T <4 S+ 0 0 133 -3,-0.5 2,-0.2 2,-0.0 -2,-0.2 0.718 106.4 67.4-105.8 -25.4 -8.3 33.9 10.5 21 21 A D S < S- 0 0 60 -4,-2.4 2,-1.7 1,-0.1 3,-0.2 -0.635 85.0-117.7 -98.6 157.6 -10.8 31.7 8.6 22 22 A D > + 0 0 107 -2,-0.2 4,-3.2 1,-0.2 5,-0.3 -0.553 48.1 166.7 -90.1 72.3 -14.1 30.3 9.8 23 23 A V H > S+ 0 0 3 -2,-1.7 4,-2.0 -6,-0.2 -1,-0.2 0.877 70.5 41.7 -61.8 -43.6 -12.8 26.8 9.4 24 24 A F H > S+ 0 0 22 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 116.4 48.3 -77.1 -37.1 -15.5 25.1 11.3 25 25 A G H > S+ 0 0 23 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.932 115.0 45.2 -64.9 -47.6 -18.4 27.1 9.9 26 26 A E H X S+ 0 0 78 -4,-3.2 4,-0.7 1,-0.2 3,-0.4 0.901 111.5 51.1 -70.3 -37.9 -17.2 26.7 6.4 27 27 A A H >< S+ 0 0 2 -4,-2.0 3,-0.7 -5,-0.3 5,-0.5 0.862 103.7 59.6 -68.1 -30.6 -16.5 23.0 6.7 28 28 A S H 3< S+ 0 0 69 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.865 103.9 51.9 -62.7 -33.8 -20.1 22.5 8.1 29 29 A D H 3< S+ 0 0 145 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.564 102.7 72.3 -74.5 -14.0 -21.5 24.0 4.7 30 30 A M S << S- 0 0 80 -3,-0.7 -3,-0.0 -4,-0.7 0, 0.0 -0.091 91.4-116.8 -77.8-167.2 -19.4 21.4 2.7 31 31 A D + 0 0 157 -2,-0.0 -3,-0.1 2,-0.0 3,-0.1 -0.384 48.5 163.7-135.4 53.2 -20.3 17.7 2.6 32 32 A L - 0 0 42 -5,-0.5 5,-0.1 1,-0.1 2,-0.0 -0.296 46.2 -96.8 -67.9 155.4 -17.3 16.1 4.2 33 33 A D >> - 0 0 114 1,-0.1 3,-1.7 -2,-0.1 4,-1.2 -0.403 41.2-105.6 -65.1 150.6 -17.4 12.6 5.5 34 34 A D T 34 S+ 0 0 112 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.837 118.9 59.3 -54.2 -31.6 -18.1 12.4 9.2 35 35 A E T 34 S+ 0 0 59 1,-0.2 -1,-0.3 21,-0.1 3,-0.1 0.780 106.5 49.6 -71.0 -18.0 -14.5 11.5 10.0 36 36 A D T <4 S+ 0 0 23 -3,-1.7 -29,-2.4 1,-0.3 2,-0.3 0.712 124.9 9.7 -90.0 -27.8 -13.3 14.7 8.4 37 37 A Y E < S+A 6 0A 41 -4,-1.2 2,-0.3 -3,-0.3 -1,-0.3 -0.958 87.0 83.5-149.4 139.0 -15.7 17.2 10.1 38 38 A G E -A 5 0A 14 -33,-1.6 -33,-2.4 -2,-0.3 2,-0.4 -0.980 68.0 -78.3 167.2-160.8 -18.1 16.8 13.0 39 39 A S E -A 4 0A 70 -2,-0.3 2,-0.4 -35,-0.3 -35,-0.3 -0.969 36.3-158.9-134.7 141.3 -18.4 16.8 16.8 40 40 A L E -A 3 0A 5 -37,-2.8 -37,-2.8 -2,-0.4 2,-0.5 -0.971 15.1-132.3-122.8 133.0 -17.4 13.9 18.9 41 41 A E E +A 2 0A 134 -2,-0.4 2,-0.4 -39,-0.2 -39,-0.2 -0.816 32.5 177.3 -88.2 128.5 -18.5 13.1 22.5 42 42 A V - 0 0 1 -41,-2.4 6,-0.1 -2,-0.5 3,-0.1 -0.998 23.9-130.3-137.0 124.2 -15.5 12.2 24.5 43 43 A N > - 0 0 110 -2,-0.4 3,-1.7 1,-0.1 2,-0.2 -0.278 35.9 -95.9 -66.6 153.6 -15.5 11.5 28.3 44 44 A E T 3 S+ 0 0 131 1,-0.3 -1,-0.1 61,-0.1 63,-0.1 -0.554 119.5 24.6 -63.3 136.8 -13.0 13.2 30.6 45 45 A G T 3 S+ 0 0 65 61,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.335 99.0 115.3 88.8 -15.0 -10.2 10.7 30.9 46 46 A E S < S- 0 0 57 -3,-1.7 -1,-0.3 60,-0.1 2,-0.2 -0.768 72.2-115.5 -91.6 128.5 -11.0 9.1 27.5 47 47 A Y > - 0 0 71 -2,-0.4 4,-2.2 58,-0.2 58,-0.3 -0.493 14.9-137.9 -63.2 134.8 -8.4 9.5 24.7 48 48 A I H > S+ 0 0 0 56,-2.7 4,-2.5 53,-0.3 5,-0.2 0.882 102.6 53.9 -62.9 -44.5 -9.7 11.6 21.8 49 49 A L H > S+ 0 0 0 52,-1.9 4,-2.5 55,-0.3 10,-0.2 0.942 110.4 46.9 -57.4 -45.6 -8.1 9.2 19.2 50 50 A E H > S+ 0 0 84 51,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.860 109.7 52.8 -68.4 -33.9 -9.9 6.2 20.8 51 51 A A H X S+ 0 0 2 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.925 111.8 47.8 -65.9 -38.4 -13.2 8.1 20.9 52 52 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 3,-1.2 0.943 112.0 49.3 -64.4 -38.5 -12.7 8.8 17.2 53 53 A E H ><5S+ 0 0 51 -4,-2.5 3,-2.4 1,-0.3 -2,-0.2 0.912 102.4 59.6 -71.5 -37.4 -11.9 5.2 16.4 54 54 A A H 3<5S+ 0 0 78 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.649 103.7 53.0 -65.6 -14.2 -14.9 3.9 18.3 55 55 A Q T <<5S- 0 0 121 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.298 128.5-104.1 -92.0 2.5 -17.0 6.0 15.8 56 56 A G T < 5S+ 0 0 61 -3,-2.4 2,-0.6 1,-0.3 -3,-0.2 0.666 74.0 148.0 86.2 15.8 -15.1 4.2 13.1 57 57 A Y < - 0 0 27 -5,-2.7 2,-1.6 -6,-0.2 -1,-0.3 -0.739 40.0-152.4 -90.6 124.0 -12.9 7.2 12.3 58 58 A D + 0 0 113 -2,-0.6 3,-0.1 -3,-0.1 -1,-0.1 -0.484 25.0 174.2 -96.4 68.9 -9.5 6.3 11.3 59 59 A W - 0 0 1 -2,-1.6 12,-0.1 -10,-0.2 -23,-0.0 -0.403 41.0 -83.5 -72.4 153.8 -7.6 9.3 12.5 60 60 A P + 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.198 61.4 139.5 -63.9 142.9 -3.8 9.2 12.1 61 61 A F + 0 0 78 -3,-0.1 8,-0.0 40,-0.1 -3,-0.0 -0.948 18.2 170.6-169.2 157.8 -1.5 7.6 14.6 62 62 A S S S+ 0 0 58 -2,-0.3 65,-0.0 6,-0.0 -1,-0.0 0.312 80.9 22.6-134.2 -68.7 1.5 5.5 14.6 63 63 A C S S- 0 0 43 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.746 70.2-155.1 -73.5 -31.3 3.2 4.9 18.0 64 64 A R S S+ 0 0 87 1,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.663 73.7 92.1 55.1 20.7 0.2 5.6 20.3 65 65 A A S S- 0 0 67 18,-0.0 -1,-0.1 38,-0.0 38,-0.0 0.297 103.2-102.7-128.3 12.7 2.9 6.6 23.0 66 66 A G S S+ 0 0 5 19,-0.1 20,-0.7 20,-0.1 21,-0.6 0.842 94.7 109.6 72.7 28.1 3.6 10.4 22.8 67 67 A A S S+ 0 0 70 18,-0.1 2,-0.3 19,-0.1 -1,-0.0 0.165 73.8 35.5-122.2 15.9 6.8 9.6 20.9 68 68 A C S S- 0 0 3 59,-0.0 59,-0.2 60,-0.0 19,-0.1 -0.837 71.6-124.7-149.0-174.4 5.8 10.9 17.5 69 69 A A S > S+ 0 0 0 57,-2.3 3,-1.8 -2,-0.3 58,-0.2 0.360 76.5 105.5-115.2 8.2 3.7 13.7 15.9 70 70 A N T 3 S+ 0 0 9 56,-0.4 48,-0.3 1,-0.3 46,-0.1 0.816 84.4 44.6 -67.6 -29.3 1.4 11.5 13.7 71 71 A C T 3 S+ 0 0 3 46,-0.1 30,-1.5 47,-0.1 -1,-0.3 0.413 86.1 138.2 -91.7 3.1 -1.6 12.0 15.9 72 72 A A E < +C 100 0A 0 -3,-1.8 45,-1.6 28,-0.2 44,-0.7 0.002 24.4 175.9 -47.4 148.0 -1.1 15.8 16.4 73 73 A A E -CD 99 115A 0 26,-2.0 26,-2.3 42,-0.2 2,-0.5 -0.929 28.9-125.2-144.8 160.5 -4.0 18.1 16.4 74 74 A I E -CD 98 114A 3 40,-2.2 40,-2.2 -2,-0.3 2,-0.7 -0.946 21.5-140.2-110.1 128.3 -4.2 21.8 17.0 75 75 A V E + D 0 113A 8 22,-2.5 38,-0.3 -2,-0.5 3,-0.1 -0.861 23.6 175.4 -91.6 119.2 -6.7 22.8 19.7 76 76 A L E + 0 0 42 36,-2.7 2,-0.3 -2,-0.7 37,-0.2 0.760 69.2 19.1 -92.2 -28.8 -8.5 26.0 18.7 77 77 A E E S+ D 0 112A 108 35,-1.6 35,-2.1 2,-0.0 -1,-0.3 -0.999 117.0 0.6-145.0 142.3 -11.0 26.2 21.6 78 78 A G S S- 0 0 46 -2,-0.3 2,-0.3 33,-0.2 33,-0.2 -0.417 86.9 -86.8 78.1-157.7 -11.0 24.6 25.1 79 79 A D - 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