==== 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 09-JAN-91 1FXA . COMPND 2 MOLECULE: [2FE-2S] FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR W.R.RYPNIEWSKI,D.R.BREITER,M.M.BENNING,G.WESENBERG,B.-H.OH, . 196 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 20 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 2 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 2 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 2 4 0 0 0 0 2 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 . 2 0 0 2 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 84 0, 0.0 21,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.3 10.0 -7.5 38.6 2 2 A T E -A 21 0A 90 19,-0.2 2,-0.3 20,-0.1 84,-0.1 -0.991 360.0-154.3-130.9 116.2 13.0 -6.0 36.7 3 3 A F E -A 20 0A 37 17,-2.7 17,-3.6 -2,-0.4 2,-0.5 -0.721 15.9-121.2 -99.2 149.1 12.5 -5.2 33.1 4 4 A K E -A 19 0A 79 -2,-0.3 83,-2.8 15,-0.2 2,-0.5 -0.709 27.9-165.3 -86.2 128.3 15.1 -5.0 30.4 5 5 A V E -Ab 18 87A 0 13,-3.3 13,-3.0 -2,-0.5 2,-0.6 -0.964 4.2-160.9-119.8 119.6 15.2 -1.5 28.8 6 6 A T E -Ab 17 88A 13 81,-2.5 83,-2.7 -2,-0.5 2,-0.5 -0.886 7.9-157.7-102.4 119.5 17.0 -1.0 25.4 7 7 A L E -Ab 16 89A 3 9,-3.3 9,-2.8 -2,-0.6 2,-0.5 -0.881 7.0-168.0-103.8 126.9 17.9 2.6 24.6 8 8 A I E -Ab 15 90A 36 81,-2.2 83,-2.2 -2,-0.5 2,-0.8 -0.951 14.0-168.9-116.6 121.2 18.4 3.5 21.0 9 9 A N E >>> -A 14 0A 21 5,-2.2 4,-2.1 -2,-0.5 5,-1.7 -0.853 10.4-173.0-107.9 93.8 20.0 6.8 19.9 10 10 A E T 345S+ 0 0 123 -2,-0.8 -1,-0.2 81,-0.3 82,-0.1 0.781 78.5 58.0 -59.4 -30.1 19.2 6.7 16.1 11 11 A A T 345S+ 0 0 89 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.778 119.9 25.6 -77.6 -23.0 21.2 9.7 15.3 12 12 A E T <45S- 0 0 127 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.588 105.7-125.8-108.0 -16.7 24.4 8.5 16.7 13 13 A G T <5 + 0 0 64 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.940 57.2 145.2 71.9 51.4 23.5 5.0 16.2 14 14 A T E < -A 9 0A 47 -5,-1.7 -5,-2.2 2,-0.0 2,-0.3 -0.788 30.4-165.2-116.4 158.3 24.0 3.8 19.8 15 15 A K E -A 8 0A 140 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.983 6.4-178.3-145.2 128.9 22.2 1.2 21.8 16 16 A H E -A 7 0A 65 -9,-2.8 -9,-3.3 -2,-0.3 2,-0.5 -0.994 13.7-148.5-130.0 141.5 22.5 0.7 25.5 17 17 A E E +A 6 0A 99 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.915 19.9 174.0-111.3 133.6 20.8 -2.0 27.6 18 18 A I E -A 5 0A 1 -13,-3.0 -13,-3.3 -2,-0.5 2,-0.5 -0.895 28.7-128.7-131.6 162.8 19.7 -1.4 31.2 19 19 A E E -A 4 0A 86 -2,-0.3 -15,-0.2 -15,-0.2 14,-0.0 -0.952 28.1-166.2-111.6 124.4 17.8 -3.3 33.8 20 20 A V E -A 3 0A 0 -17,-3.6 -17,-2.7 -2,-0.5 6,-0.1 -0.934 17.9-128.9-118.8 123.8 15.0 -1.3 35.4 21 21 A P E > -A 2 0A 38 0, 0.0 3,-1.4 0, 0.0 -19,-0.2 -0.269 29.4-117.5 -59.2 155.7 13.0 -2.2 38.5 22 22 A D T 3 S+ 0 0 75 -21,-2.1 -20,-0.1 1,-0.3 60,-0.0 0.548 114.0 47.7 -71.6 -7.7 9.3 -2.0 38.0 23 23 A D T 3 S+ 0 0 111 -22,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.096 96.2 84.6-124.5 29.0 9.1 0.8 40.5 24 24 A E S < S- 0 0 38 -3,-1.4 2,-0.1 59,-0.1 56,-0.1 -0.980 80.5-114.1-125.8 135.7 11.9 3.0 39.2 25 25 A Y > - 0 0 52 -2,-0.4 4,-1.8 57,-0.2 3,-0.4 -0.472 27.1-119.4 -70.5 141.4 11.6 5.6 36.4 26 26 A I H > S+ 0 0 0 55,-3.3 4,-2.6 1,-0.2 5,-0.2 0.883 109.8 54.5 -45.7 -48.9 13.6 4.8 33.3 27 27 A L H > S+ 0 0 0 51,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.919 106.4 50.5 -53.6 -47.8 15.7 8.0 33.5 28 28 A D H > S+ 0 0 51 -3,-0.4 4,-1.9 50,-0.3 -1,-0.2 0.924 112.1 46.8 -57.5 -47.7 16.8 7.3 37.0 29 29 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.886 108.9 54.5 -64.8 -40.2 17.9 3.8 36.2 30 30 A A H <>S+ 0 0 0 -4,-2.6 5,-3.2 -5,-0.2 -1,-0.2 0.928 109.7 48.1 -57.2 -46.6 19.7 4.9 33.1 31 31 A E H ><5S+ 0 0 51 -4,-2.1 3,-1.5 3,-0.2 -1,-0.2 0.875 109.4 51.7 -61.4 -43.9 21.8 7.4 35.0 32 32 A E H 3<5S+ 0 0 129 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.3 52.1 -64.8 -31.8 22.7 5.0 37.8 33 33 A Q T 3<5S- 0 0 79 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.391 128.6 -94.6 -86.1 2.8 23.8 2.6 35.2 34 34 A G T < 5S+ 0 0 56 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.580 85.9 119.4 100.9 6.3 26.1 5.2 33.5 35 35 A Y < - 0 0 77 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.902 46.6-156.7-115.8 109.1 24.0 6.5 30.8 36 36 A D - 0 0 141 -2,-0.6 -9,-0.0 -5,-0.1 -5,-0.0 -0.594 16.2-176.4 -78.6 136.8 23.2 10.2 30.8 37 37 A L - 0 0 21 -2,-0.3 2,-0.1 -10,-0.1 12,-0.1 -0.892 33.8 -85.7-129.7 162.9 20.0 11.2 28.9 38 38 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.405 56.1 150.2 -71.4 143.9 18.5 14.6 28.2 39 39 A F + 0 0 96 -2,-0.1 8,-0.0 9,-0.1 0, 0.0 -0.964 20.6 168.1-166.6 158.2 16.2 16.2 30.9 40 40 A S S S+ 0 0 86 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.413 83.4 22.4-133.8 -76.5 15.1 19.6 32.2 41 41 A C S S- 0 0 49 1,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.736 74.8-157.4 -74.4 -29.9 12.0 19.6 34.5 42 42 A R S S+ 0 0 80 1,-0.1 -1,-0.0 2,-0.0 -3,-0.0 0.775 71.3 91.0 53.0 24.8 12.4 16.0 35.6 43 43 A A S S- 0 0 61 37,-0.0 -1,-0.1 0, 0.0 37,-0.0 0.238 103.5 -99.9-137.3 20.8 8.8 16.2 36.4 44 44 A G S S+ 0 0 0 19,-0.1 20,-3.1 20,-0.1 21,-1.3 0.664 96.0 101.3 73.1 16.2 6.7 15.2 33.5 45 45 A A S S+ 0 0 55 19,-0.2 2,-0.2 18,-0.2 -1,-0.1 0.160 72.9 44.7-119.9 20.3 5.9 18.6 32.4 46 46 A C S S- 0 0 27 1,-0.0 19,-0.2 20,-0.0 18,-0.1 -0.770 73.2-120.1-144.3-170.7 8.2 19.3 29.4 47 47 A S S > S+ 0 0 7 -2,-0.2 3,-1.3 1,-0.1 46,-0.1 0.377 81.7 99.0-120.5 3.8 9.4 17.6 26.3 48 48 A T T 3 S+ 0 0 37 1,-0.2 46,-0.3 45,-0.1 44,-0.1 0.897 84.6 46.6 -53.7 -49.3 13.1 17.4 27.0 49 49 A C T 3 S+ 0 0 8 44,-0.1 29,-1.2 43,-0.1 -1,-0.2 0.376 85.1 145.1 -74.4 -4.5 13.2 13.8 28.2 50 50 A A E < +C 77 0A 0 -3,-1.3 43,-2.6 27,-0.2 44,-0.4 -0.062 17.8 167.3 -47.7 131.5 11.0 12.4 25.3 51 51 A G E -C 76 0A 0 25,-2.7 25,-2.3 41,-0.2 2,-0.4 -0.795 28.1-128.5-132.3 174.9 11.6 9.1 23.8 52 52 A K E -CD 75 90A 55 38,-2.1 38,-2.4 -2,-0.3 23,-0.2 -0.995 23.8-120.1-129.9 127.6 9.4 7.0 21.4 53 53 A L E + D 0 89A 41 21,-3.3 36,-0.2 -2,-0.4 3,-0.1 -0.453 27.7 176.0 -70.7 138.4 8.4 3.4 22.1 54 54 A V E S- 0 0 84 34,-3.6 2,-0.3 1,-0.5 35,-0.2 0.764 74.2 -14.5-101.9 -41.9 9.4 0.8 19.6 55 55 A S E S+ D 0 88A 60 33,-1.6 33,-2.9 2,-0.0 -1,-0.5 -0.987 103.3 39.6-158.1 157.9 8.1 -2.1 21.6 56 56 A G S S- 0 0 31 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.178 72.4 -90.5 90.3 175.9 6.9 -2.9 25.2 57 57 A T - 0 0 75 29,-0.3 27,-2.4 -2,-0.1 28,-0.5 -0.872 30.5-168.3-126.3 163.2 4.7 -0.8 27.5 58 58 A V E -E 83 0B 26 -2,-0.3 2,-0.6 25,-0.3 23,-0.0 -0.885 23.2-126.9-138.4 173.1 5.2 1.8 30.2 59 59 A D E +E 82 0B 64 23,-2.9 23,-2.2 -2,-0.3 3,-0.2 -0.948 34.3 159.3-122.1 109.0 3.3 3.5 32.8 60 60 A Q > + 0 0 22 -2,-0.6 3,-2.7 21,-0.2 21,-0.1 -0.003 20.3 136.4-119.9 34.6 3.7 7.1 32.6 61 61 A S T 3 + 0 0 95 1,-0.3 -1,-0.1 3,-0.0 20,-0.1 0.622 67.4 66.0 -53.9 -17.0 0.6 8.3 34.5 62 62 A D T 3 S+ 0 0 81 18,-0.5 -1,-0.3 -3,-0.2 2,-0.1 0.474 82.7 100.0 -84.5 -4.8 2.6 10.9 36.3 63 63 A Q < + 0 0 32 -3,-2.7 -18,-0.2 17,-0.2 -19,-0.1 -0.443 39.3 172.1 -81.5 158.9 3.2 12.9 33.0 64 64 A S + 0 0 86 -20,-3.1 -19,-0.2 -18,-0.1 -1,-0.1 0.412 61.5 72.5-144.5 -2.4 1.3 15.8 32.1 65 65 A F S S+ 0 0 81 -21,-1.3 2,-0.2 -19,-0.2 -20,-0.1 0.893 80.1 77.8 -85.3 -37.8 2.8 17.3 29.1 66 66 A L S S- 0 0 10 -22,-0.2 2,-0.1 -20,-0.1 11,-0.0 -0.487 70.6-136.3 -74.0 144.9 1.8 14.8 26.4 67 67 A D > - 0 0 80 -2,-0.2 4,-2.6 1,-0.1 5,-0.3 -0.400 31.4 -99.1 -91.4 167.4 -1.7 14.7 24.9 68 68 A D H > S+ 0 0 135 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.849 123.7 52.4 -53.1 -39.6 -3.7 11.4 24.2 69 69 A D H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.869 109.4 47.6 -67.3 -41.5 -2.7 11.5 20.7 70 70 A Q H >>S+ 0 0 47 -3,-0.2 5,-1.9 1,-0.2 4,-0.5 0.926 111.7 49.0 -71.4 -40.0 0.9 11.8 21.4 71 71 A I H ><5S+ 0 0 53 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.907 110.0 52.6 -62.8 -40.0 0.9 9.1 23.9 72 72 A E H 3<5S+ 0 0 153 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.849 101.4 60.0 -66.0 -28.6 -0.9 6.9 21.5 73 73 A A H 3<5S- 0 0 54 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.608 127.9 -97.9 -72.5 -8.1 1.7 7.6 18.9 74 74 A G T <<5S+ 0 0 13 -3,-1.6 -21,-3.3 -4,-0.5 -3,-0.2 0.445 71.5 148.3 110.5 -2.8 4.2 6.1 21.2 75 75 A Y E < -C 52 0A 22 -5,-1.9 2,-0.3 -23,-0.2 -1,-0.3 -0.340 20.6-177.7 -67.7 148.3 5.8 9.1 22.9 76 76 A V E -C 51 0A 0 -25,-2.3 -25,-2.7 5,-0.0 2,-0.8 -0.994 29.1-133.3-147.3 143.0 7.0 8.7 26.4 77 77 A L E > -C 50 0A 1 -2,-0.3 3,-1.9 -27,-0.2 4,-0.3 -0.867 21.5-158.9 -96.2 103.8 8.6 11.2 29.0 78 78 A T G > S+ 0 0 3 -29,-1.2 -51,-2.0 -2,-0.8 3,-0.7 0.770 83.5 66.8 -58.9 -25.3 11.5 9.1 30.3 79 79 A C G 3 S+ 0 0 6 1,-0.2 -1,-0.3 -53,-0.2 -54,-0.1 0.681 114.8 27.5 -71.2 -14.2 11.8 11.1 33.5 80 80 A V G < S+ 0 0 6 -3,-1.9 -18,-0.5 -56,-0.1 2,-0.5 0.138 96.0 111.9-131.5 20.6 8.4 9.8 34.8 81 81 A A < - 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