==== 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 01-JUL-99 1QT9 . COMPND 2 MOLECULE: FERREDOXIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR R.MORALES,M.-H.CHRON,G.HUDRY-CLERGEON,Y.PETILLOT,S.NORAGER,M . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 62.2 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 . 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 78 0, 0.0 21,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 155.1 26.2 24.9 24.1 2 2 A T E -A 21 0A 89 19,-0.2 2,-0.3 20,-0.1 84,-0.1 -0.996 360.0-156.3-131.3 118.0 24.7 21.5 24.6 3 3 A F E -A 20 0A 42 17,-2.8 17,-3.2 -2,-0.4 2,-0.4 -0.781 17.0-118.8-106.5 145.0 24.0 20.6 28.2 4 4 A K E -A 19 0A 79 -2,-0.3 83,-2.5 15,-0.2 2,-0.4 -0.648 29.2-169.0 -74.7 127.3 23.7 17.2 30.0 5 5 A V E -Ab 18 87A 0 13,-2.7 13,-2.8 -2,-0.4 2,-0.6 -0.996 6.6-159.0-121.5 121.3 20.3 16.8 31.5 6 6 A T E -Ab 17 88A 13 81,-2.8 83,-2.8 -2,-0.4 2,-0.5 -0.929 9.0-154.0-103.1 118.0 19.8 13.9 33.9 7 7 A L E -Ab 16 89A 3 9,-3.2 9,-2.5 -2,-0.6 2,-0.5 -0.845 8.9-165.7 -93.4 120.3 16.1 12.9 34.3 8 8 A I E -Ab 15 90A 38 81,-2.8 83,-2.5 -2,-0.5 2,-0.8 -0.952 11.4-169.8-112.6 124.1 15.2 11.2 37.6 9 9 A N E >> -A 14 0A 19 5,-2.4 5,-1.6 -2,-0.5 4,-1.3 -0.905 8.5-171.5-106.2 98.0 11.9 9.4 38.0 10 10 A E T 45S+ 0 0 118 -2,-0.8 3,-0.5 81,-0.4 -1,-0.2 0.925 80.0 48.9 -62.5 -41.8 11.8 8.8 41.7 11 11 A A T 45S+ 0 0 90 1,-0.3 -1,-0.2 81,-0.1 81,-0.0 0.840 118.6 40.1 -69.0 -30.9 8.7 6.5 41.8 12 12 A E T 45S- 0 0 138 2,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.550 105.0-127.0 -93.5 -11.4 10.1 4.3 39.1 13 13 A G T <5 + 0 0 69 -4,-1.3 2,-0.4 -3,-0.5 -3,-0.2 0.816 58.5 141.8 71.1 35.7 13.6 4.3 40.2 14 14 A T E < -A 9 0A 48 -5,-1.6 -5,-2.4 2,-0.0 2,-0.4 -0.839 36.0-169.4-115.4 155.3 15.1 5.5 36.9 15 15 A K E +A 8 0A 135 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.985 12.5 180.0-137.3 115.4 17.9 7.8 35.9 16 16 A H E -A 7 0A 63 -9,-2.5 -9,-3.2 -2,-0.4 2,-0.5 -0.971 14.0-150.3-123.9 130.9 18.2 8.8 32.2 17 17 A E E +A 6 0A 98 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.846 20.8 169.4-103.5 132.4 20.8 11.0 30.7 18 18 A I E -A 5 0A 2 -13,-2.8 -13,-2.7 -2,-0.5 2,-0.5 -0.857 31.2-125.7-129.1 168.2 20.2 13.2 27.7 19 19 A E E -A 4 0A 86 -2,-0.3 -15,-0.2 -15,-0.2 67,-0.0 -0.977 27.9-167.9-119.3 123.8 22.0 16.0 25.9 20 20 A V E -A 3 0A 0 -17,-3.2 -17,-2.8 -2,-0.5 6,-0.1 -0.945 19.1-126.1-122.9 119.2 19.9 19.2 25.4 21 21 A P E > -A 2 0A 35 0, 0.0 3,-1.8 0, 0.0 -19,-0.2 -0.275 25.6-119.5 -54.8 147.1 20.8 22.2 23.1 22 22 A D T 3 S+ 0 0 73 -21,-2.5 -20,-0.1 1,-0.3 60,-0.0 0.662 116.0 48.2 -62.7 -12.0 20.7 25.5 24.8 23 23 A D T 3 S+ 0 0 123 -22,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.074 98.8 80.5-120.6 27.6 18.0 26.5 22.4 24 24 A E S < S- 0 0 35 -3,-1.8 2,-0.1 59,-0.1 56,-0.1 -0.982 81.1-113.9-129.1 140.4 15.7 23.4 22.7 25 25 A Y > - 0 0 52 -2,-0.4 4,-1.9 57,-0.2 57,-0.2 -0.416 26.1-120.5 -67.2 148.2 13.2 22.7 25.4 26 26 A I H > S+ 0 0 0 55,-2.6 4,-2.8 1,-0.2 5,-0.2 0.903 109.0 54.6 -57.5 -45.2 14.0 19.8 27.7 27 27 A L H > S+ 0 0 1 51,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.940 107.4 49.3 -59.4 -43.4 10.7 17.9 26.9 28 28 A D H > S+ 0 0 48 50,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.926 112.8 46.8 -63.0 -44.8 11.4 17.9 23.1 29 29 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.896 110.6 52.9 -66.9 -40.1 15.0 16.7 23.5 30 30 A A H <>S+ 0 0 0 -4,-2.8 5,-2.6 -5,-0.2 3,-0.4 0.956 110.5 47.3 -58.6 -48.1 13.9 13.9 26.0 31 31 A E H ><5S+ 0 0 46 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.920 110.0 52.3 -55.9 -49.5 11.3 12.7 23.5 32 32 A E H 3<5S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.821 108.4 51.9 -56.9 -34.9 13.8 12.7 20.6 33 33 A Q T 3<5S- 0 0 84 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.248 129.7 -91.6 -90.4 10.1 16.3 10.7 22.7 34 34 A G T < 5S+ 0 0 58 -3,-1.8 2,-0.6 -4,-0.1 -3,-0.2 0.513 90.6 116.9 97.2 13.8 13.7 8.0 23.5 35 35 A Y < - 0 0 75 -5,-2.6 2,-0.2 -6,-0.2 -2,-0.2 -0.884 46.4-160.3-118.6 96.5 12.2 9.2 26.8 36 36 A D - 0 0 138 -2,-0.6 -9,-0.0 -5,-0.1 0, 0.0 -0.537 15.1-174.5 -71.8 142.8 8.6 10.1 26.7 37 37 A L - 0 0 22 -2,-0.2 12,-0.1 -10,-0.1 2,-0.1 -0.931 31.6 -82.3-139.2 155.3 7.5 12.4 29.6 38 38 A P + 0 0 36 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.335 57.8 144.8 -64.9 145.5 4.1 13.7 30.7 39 39 A F + 0 0 92 10,-0.1 8,-0.0 -2,-0.1 0, 0.0 -0.970 21.6 170.6-164.1 166.9 2.6 16.7 29.0 40 40 A S S S+ 0 0 86 -2,-0.3 -1,-0.0 6,-0.0 6,-0.0 0.335 81.6 22.6-139.9 -74.4 -0.7 18.2 28.0 41 41 A C S S- 0 0 54 1,-0.1 -2,-0.0 2,-0.0 6,-0.0 0.782 72.3-155.7 -74.5 -29.9 -0.7 21.8 26.7 42 42 A R S S+ 0 0 82 1,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.718 71.7 93.9 56.3 25.1 2.9 22.1 25.7 43 43 A A S S- 0 0 60 37,-0.0 -1,-0.1 0, 0.0 37,-0.0 0.257 102.6-103.0-131.3 11.9 2.6 25.8 26.2 44 44 A G S S+ 0 0 0 19,-0.1 20,-2.9 20,-0.1 21,-2.2 0.660 94.7 106.5 77.0 14.5 3.7 26.6 29.8 45 45 A A S S+ 0 0 56 19,-0.2 2,-0.2 18,-0.2 -1,-0.0 0.028 71.6 38.5-120.1 21.4 0.1 27.0 30.9 46 46 A C S S- 0 0 26 20,-0.0 19,-0.2 -6,-0.0 20,-0.1 -0.812 74.7-118.0-151.4-173.4 -0.6 23.8 33.0 47 47 A S S > S+ 0 0 19 -2,-0.2 3,-1.7 1,-0.1 50,-0.1 0.335 78.5 104.7-114.5 4.5 1.2 21.6 35.5 48 48 A T T 3 S+ 0 0 37 1,-0.3 46,-0.3 45,-0.1 44,-0.1 0.863 85.3 42.1 -60.9 -38.1 1.3 18.3 33.6 49 49 A C T 3 S+ 0 0 5 44,-0.1 29,-1.3 43,-0.1 -1,-0.3 0.227 84.4 146.4 -92.0 15.2 4.9 18.4 32.6 50 50 A A E < +C 77 0A 1 -3,-1.7 43,-2.2 27,-0.2 44,-0.5 -0.203 18.5 171.8 -62.0 141.1 6.2 19.7 35.9 51 51 A G E -C 76 0A 0 25,-2.8 25,-2.3 41,-0.2 2,-0.4 -0.821 24.5-130.7-131.3 179.7 9.6 18.7 37.2 52 52 A K E -CD 75 90A 57 38,-2.2 38,-3.1 -2,-0.3 23,-0.2 -0.990 22.7-120.4-140.0 125.0 11.7 19.7 40.1 53 53 A L E + D 0 89A 41 21,-2.9 36,-0.3 -2,-0.4 3,-0.1 -0.376 24.8 177.5 -65.8 142.6 15.4 20.7 39.9 54 54 A V E S- 0 0 88 34,-3.1 2,-0.3 1,-0.5 35,-0.2 0.719 76.9 -14.3-100.6 -46.3 18.0 18.8 41.9 55 55 A S E S+ D 0 88A 60 33,-1.8 33,-2.3 2,-0.0 -1,-0.5 -0.991 103.0 37.6-158.1 154.0 20.9 20.9 40.5 56 56 A G S S- 0 0 30 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.234 70.8 -84.3 91.1 179.8 21.6 23.3 37.6 57 57 A T - 0 0 75 29,-0.2 27,-2.7 -2,-0.1 28,-0.8 -0.872 27.7-168.4-129.4 156.0 19.6 26.1 36.0 58 58 A V E -E 83 0B 28 -2,-0.3 2,-0.6 25,-0.3 23,-0.0 -0.948 23.3-132.6-129.9 162.1 17.0 26.6 33.3 59 59 A D E +E 82 0B 65 23,-2.9 23,-2.6 -2,-0.3 3,-0.2 -0.946 35.8 158.1-113.1 105.1 15.4 29.5 31.4 60 60 A Q > + 0 0 21 -2,-0.6 3,-2.4 21,-0.2 17,-0.1 -0.123 21.9 133.5-115.9 35.5 11.6 28.9 31.6 61 61 A S T 3 + 0 0 93 1,-0.3 -1,-0.1 3,-0.0 20,-0.1 0.669 65.2 66.7 -60.0 -22.3 10.6 32.5 30.9 62 62 A D T 3 S+ 0 0 82 18,-0.6 -1,-0.3 -3,-0.2 2,-0.1 0.588 84.4 101.4 -72.4 -12.5 8.0 31.2 28.4 63 63 A Q < + 0 0 34 -3,-2.4 -18,-0.2 17,-0.2 -19,-0.1 -0.425 39.4 168.7 -72.5 156.4 6.1 29.6 31.3 64 64 A S + 0 0 85 -20,-2.9 -19,-0.2 -18,-0.1 -1,-0.1 0.551 61.0 70.5-135.9 -20.0 3.0 31.1 32.9 65 65 A F S S+ 0 0 96 -21,-2.2 2,-0.2 -19,-0.2 -20,-0.1 0.859 79.5 79.6 -73.3 -42.8 1.4 28.6 35.2 66 66 A L S S- 0 0 7 -22,-0.2 2,-0.1 -20,-0.1 11,-0.0 -0.495 72.3-136.1 -72.8 140.0 3.9 28.5 38.1 67 67 A D > - 0 0 80 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.344 31.1 -99.6 -84.1 172.6 3.9 31.1 40.7 68 68 A D H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.856 121.7 53.3 -66.9 -34.4 7.0 32.7 42.0 69 69 A D H > S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 107.7 50.5 -64.7 -43.5 7.1 30.6 45.2 70 70 A Q H 4>S+ 0 0 25 2,-0.2 5,-2.3 1,-0.2 4,-0.4 0.882 110.7 49.9 -60.3 -43.3 6.8 27.3 43.1 71 71 A I H ><5S+ 0 0 57 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.922 107.7 53.6 -61.9 -42.0 9.7 28.5 41.0 72 72 A E H 3<5S+ 0 0 166 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.871 103.5 57.4 -57.8 -35.5 11.7 29.3 44.1 73 73 A A T 3<5S- 0 0 50 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.532 127.2-100.2 -74.1 -8.4 11.1 25.7 45.3 74 74 A G T < 5 + 0 0 13 -3,-1.6 -21,-2.9 -4,-0.4 -3,-0.2 0.494 68.3 152.4 103.4 9.6 12.7 24.4 42.1 75 75 A Y E < -C 52 0A 27 -5,-2.3 2,-0.3 -23,-0.2 -1,-0.3 -0.428 19.2-175.0 -77.9 143.8 9.6 23.6 39.9 76 76 A V E -C 51 0A 0 -25,-2.3 -25,-2.8 -2,-0.1 2,-1.0 -0.999 29.7-133.5-138.6 137.5 10.0 23.7 36.2 77 77 A L E > -C 50 0A 0 -2,-0.3 3,-1.9 -27,-0.2 -27,-0.2 -0.815 23.4-160.0 -90.3 101.7 7.6 23.3 33.3 78 78 A T G > S+ 0 0 5 -29,-1.3 -51,-2.0 -2,-1.0 3,-0.7 0.743 82.2 66.6 -60.7 -22.6 9.7 21.0 31.1 79 79 A C G 3 S+ 0 0 6 1,-0.2 -1,-0.3 -53,-0.2 -54,-0.1 0.674 114.9 28.2 -73.0 -14.8 7.8 21.8 27.9 80 80 A V G < S+ 0 0 5 -3,-1.9 2,-0.6 -56,-0.1 -18,-0.6 0.091 95.8 111.6-132.0 21.6 9.1 25.4 28.0 81 81 A A < - 0 0 0 -3,-0.7 -55,-2.6 -4,-0.2 -21,-0.2 -0.867 44.1-165.4-109.2 120.2 12.4 25.1 29.8 82 82 A Y E -E 59 0B 59 -23,-2.6 -23,-2.9 -2,-0.6 2,-0.2 -0.812 29.0-118.3 -92.1 138.6 15.8 25.6 28.1 83 83 A P E -E 58 0B 1 0, 0.0 -25,-0.3 0, 0.0 -59,-0.1 -0.531 26.5-176.8 -69.4 145.1 18.8 24.3 30.1 84 84 A T S S+ 0 0 69 -27,-2.7 2,-0.3 1,-0.2 -26,-0.2 0.274 75.0 3.3-123.3 9.7 21.3 27.1 31.0 85 85 A S S S- 0 0 30 -28,-0.8 -1,-0.2 -81,-0.1 2,-0.1 -0.935 107.5 -58.1-163.6 179.7 23.8 24.6 32.6 86 86 A D - 0 0 89 -2,-0.3 2,-0.4 -83,-0.1 -29,-0.2 -0.513 66.7-156.4 -64.0 141.1 24.0 20.8 33.1 87 87 A V E -b 5 0A 2 -83,-2.5 -81,-2.8 -31,-0.2 2,-0.5 -0.968 26.9-162.5-129.7 140.3 20.8 19.9 35.0 88 88 A V E +bD 6 55A 38 -33,-2.3 -34,-3.1 -2,-0.4 -33,-1.8 -0.999 30.2 173.6-114.4 126.7 19.6 17.1 37.2 89 89 A I E -bD 7 53A 0 -83,-2.8 -81,-2.8 -2,-0.5 2,-0.4 -0.997 31.5-132.9-141.4 134.5 15.8 17.2 37.4 90 90 A Q E -bD 8 52A 24 -38,-3.1 -38,-2.2 -2,-0.4 3,-0.2 -0.735 28.2-153.9 -80.5 133.8 13.1 15.1 38.8 91 91 A T + 0 0 10 -83,-2.5 -81,-0.4 -2,-0.4 -40,-0.2 -0.479 66.0 42.6 -98.4 170.8 10.2 14.3 36.4 92 92 A H + 0 0 96 -42,-0.3 3,-0.3 -2,-0.2 -1,-0.2 0.883 68.3 137.3 60.8 47.3 6.6 13.5 37.1 93 93 A K > + 0 0 26 -43,-2.2 3,-2.1 -3,-0.2 4,-0.3 0.301 22.7 113.0-106.9 9.7 6.2 16.1 39.8 94 94 A E G > S+ 0 0 63 -44,-0.5 3,-2.1 -46,-0.3 -1,-0.2 0.855 70.8 63.8 -48.5 -41.2 2.8 17.5 39.0 95 95 A E G 3 S+ 0 0 167 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.650 89.0 70.1 -68.7 -6.9 1.2 16.1 42.2 96 96 A D G < S+ 0 0 64 -3,-2.1 -1,-0.3 2,-0.0 2,-0.2 0.640 85.3 89.9 -77.2 -11.0 3.5 18.2 44.4 97 97 A L < 0 0 29 -3,-2.1 -50,-0.0 -4,-0.3 -47,-0.0 -0.591 360.0 360.0 -99.2 151.3 1.7 21.4 43.4 98 98 A Y 0 0 274 -2,-0.2 -2,-0.0 0, 0.0 -3,-0.0 -0.781 360.0 360.0-124.5 360.0 -1.3 23.1 45.0