==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-OCT-04 1WRI . COMPND 2 MOLECULE: FERREDOXIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUISETUM ARVENSE; . AUTHOR G.KURISU,D.NISHIYAMA,M.KUSUNOKI,S.FUJIKAWA,M.KATOH, . 93 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 21.5 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 . 1 1.1 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 0 1 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 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 . 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 72 0, 0.0 2,-0.5 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0 163.0 26.2 13.4 -12.6 2 2 A Y E -A 17 0A 58 15,-2.9 15,-2.4 79,-0.1 2,-0.5 -0.787 360.0-133.4 -88.8 133.0 27.1 16.5 -10.7 3 3 A K E -A 16 0A 107 -2,-0.5 80,-2.4 13,-0.2 2,-0.5 -0.749 24.3-167.7 -84.3 122.3 29.1 19.2 -12.4 4 4 A V E -Ab 15 83A 0 11,-3.2 11,-2.5 -2,-0.5 2,-0.5 -0.962 6.5-169.1-113.5 126.0 32.1 20.3 -10.3 5 5 A T E -Ab 14 84A 20 78,-2.7 80,-2.7 -2,-0.5 2,-0.6 -0.978 4.7-162.1-112.3 122.4 34.0 23.4 -11.1 6 6 A L E -Ab 13 85A 1 7,-2.9 7,-2.3 -2,-0.5 2,-0.9 -0.928 5.5-156.6-100.8 117.3 37.3 23.9 -9.2 7 7 A K E -Ab 12 86A 72 78,-2.8 80,-2.1 -2,-0.6 5,-0.2 -0.864 24.3-179.8 -94.5 98.4 38.4 27.6 -9.4 8 8 A T E > -A 11 0A 26 3,-2.2 3,-1.8 -2,-0.9 80,-0.1 -0.578 44.2-105.3 -97.7 165.5 42.2 27.2 -8.7 9 9 A P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.750 123.1 45.3 -59.7 -21.2 44.8 30.0 -8.6 10 10 A D T 3 S- 0 0 165 1,-0.4 2,-0.2 0, 0.0 -3,-0.0 0.051 129.1 -54.5-110.3 21.7 46.0 28.7 -12.0 11 11 A G E < -A 8 0A 38 -3,-1.8 -3,-2.2 2,-0.0 -1,-0.4 -0.545 58.9 -78.3 128.2 164.8 42.6 28.3 -13.8 12 12 A D E -A 7 0A 88 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.764 34.6-170.1 -99.5 144.2 39.3 26.7 -13.5 13 13 A I E -A 6 0A 67 -7,-2.3 -7,-2.9 -2,-0.3 2,-0.4 -0.999 4.2-160.6-134.6 139.4 38.5 23.1 -14.3 14 14 A T E +A 5 0A 71 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.937 19.5 156.6-118.6 135.9 35.1 21.5 -14.6 15 15 A F E -A 4 0A 14 -11,-2.5 -11,-3.2 -2,-0.4 2,-0.3 -0.977 37.1-106.2-150.0 161.3 34.5 17.8 -14.4 16 16 A D E -A 3 0A 99 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.688 23.6-162.9 -94.7 144.4 31.6 15.4 -13.5 17 17 A V E -A 2 0A 2 -15,-2.4 -15,-2.9 -2,-0.3 3,-0.1 -0.993 23.9-120.7-123.9 131.0 31.2 13.4 -10.3 18 18 A E > - 0 0 128 -2,-0.4 3,-2.5 -17,-0.2 0, 0.0 -0.468 49.6 -87.7 -69.6 139.4 28.9 10.4 -10.0 19 19 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.225 114.6 22.4 -59.6 128.4 26.3 11.0 -7.2 20 20 A G T 3 S+ 0 0 49 59,-0.6 2,-0.2 1,-0.4 -2,-0.1 0.163 96.2 116.7 103.1 -17.3 27.7 10.0 -3.8 21 21 A E S < S- 0 0 102 -3,-2.5 -1,-0.4 1,-0.1 2,-0.2 -0.519 71.0-108.4 -80.9 151.5 31.3 10.1 -4.8 22 22 A R >> - 0 0 87 56,-0.2 3,-0.8 -2,-0.2 4,-0.5 -0.532 20.5-136.9 -67.3 138.4 33.9 12.5 -3.2 23 23 A L H 3> S+ 0 0 1 54,-2.1 4,-2.4 -2,-0.2 3,-0.2 0.749 95.2 72.6 -71.1 -19.5 35.0 15.2 -5.6 24 24 A I H 3> S+ 0 0 14 53,-0.4 4,-2.7 50,-0.4 -1,-0.2 0.763 83.5 67.9 -69.8 -22.5 38.6 14.9 -4.6 25 25 A D H <4 S+ 0 0 87 -3,-0.8 4,-0.3 2,-0.2 -1,-0.2 0.966 116.4 22.3 -64.5 -52.7 39.1 11.6 -6.4 26 26 A I H >X S+ 0 0 55 -4,-0.5 4,-1.7 -3,-0.2 3,-1.3 0.862 119.4 64.9 -79.4 -32.7 38.7 13.0 -9.9 27 27 A G H 3X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.3 3,-0.3 0.910 100.3 50.1 -54.3 -47.4 39.7 16.5 -8.7 28 28 A S H 3< S+ 0 0 53 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.669 109.4 53.7 -64.1 -19.9 43.2 15.4 -7.8 29 29 A E H <4 S+ 0 0 145 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.794 115.4 38.4 -77.9 -30.4 43.5 13.8 -11.3 30 30 A K H < S+ 0 0 117 -4,-1.7 2,-0.3 -3,-0.3 -2,-0.2 0.683 125.9 18.4-101.6 -15.4 42.5 17.1 -13.0 31 31 A A S < S- 0 0 17 -4,-1.9 2,-0.9 -5,-0.2 -1,-0.2 -0.972 79.4-104.6-150.7 157.9 44.4 19.6 -10.8 32 32 A D - 0 0 155 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.1 -0.803 48.6-179.3 -88.1 111.0 47.2 19.7 -8.3 33 33 A L - 0 0 22 -2,-0.9 2,-0.2 -5,-0.1 12,-0.1 -0.933 27.9-113.0-116.8 133.8 45.2 20.1 -5.1 34 34 A P + 0 0 43 0, 0.0 2,-0.3 0, 0.0 54,-0.1 -0.480 41.9 166.1 -74.6 135.9 46.8 20.4 -1.6 35 35 A L + 0 0 60 -2,-0.2 8,-0.0 1,-0.1 -2,-0.0 -0.979 17.0 156.8-140.6 155.3 46.3 17.6 0.8 36 36 A S S S+ 0 0 82 -2,-0.3 -1,-0.1 6,-0.0 0, 0.0 0.365 82.2 14.9-138.3 -79.6 47.8 16.5 4.1 37 37 A C S S- 0 0 50 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.769 73.8-155.8 -76.8 -26.2 45.6 14.2 6.4 38 38 A Q S S+ 0 0 129 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.645 73.5 88.4 56.5 22.4 43.0 13.3 3.7 39 39 A A S S- 0 0 49 37,-0.0 -1,-0.1 0, 0.0 21,-0.0 0.259 105.3-100.3-135.3 8.0 40.6 12.7 6.6 40 40 A G S S+ 0 0 1 19,-0.1 20,-3.2 20,-0.1 21,-1.4 0.678 92.2 108.8 82.2 17.1 38.9 16.0 7.4 41 41 A A S S+ 0 0 56 19,-0.2 2,-0.2 18,-0.2 -1,-0.0 0.158 73.0 35.3-116.7 14.7 41.0 16.8 10.4 42 42 A C S S- 0 0 29 20,-0.0 19,-0.2 0, 0.0 20,-0.1 -0.725 75.7-118.8-144.1-166.4 43.2 19.7 9.2 43 43 A S S > S+ 0 0 13 -2,-0.2 3,-1.9 18,-0.1 50,-0.1 0.273 75.4 111.1-124.0 12.8 42.7 22.7 6.9 44 44 A T T 3 S+ 0 0 35 1,-0.3 46,-0.3 45,-0.1 44,-0.1 0.870 84.2 42.9 -57.9 -38.1 45.4 21.9 4.3 45 45 A C T 3 S+ 0 0 7 44,-0.1 29,-1.1 43,-0.1 -1,-0.3 0.217 85.2 153.3 -92.0 15.2 42.7 21.2 1.6 46 46 A L E < +C 73 0A 0 -3,-1.9 43,-2.5 27,-0.2 44,-0.5 -0.129 11.5 163.2 -55.9 138.5 40.5 24.2 2.5 47 47 A G E -C 72 0A 0 25,-2.6 25,-2.3 41,-0.2 2,-0.4 -0.797 32.3-121.3-135.9-177.2 38.4 25.7 -0.2 48 48 A K E -CD 71 86A 57 38,-2.4 38,-2.9 23,-0.3 2,-0.5 -0.996 20.6-129.7-133.0 126.8 35.3 28.0 -0.4 49 49 A I E + D 0 85A 34 21,-3.1 36,-0.2 -2,-0.4 3,-0.1 -0.655 22.7 179.5 -78.3 125.8 32.0 27.0 -1.9 50 50 A V E S- 0 0 80 34,-2.9 2,-0.3 -2,-0.5 35,-0.2 0.779 70.1 -4.2 -92.2 -36.4 30.8 29.7 -4.4 51 51 A S E S+ D 0 84A 60 33,-1.5 33,-2.3 2,-0.0 -1,-0.4 -0.984 104.6 27.5-155.9 153.7 27.6 27.8 -5.4 52 52 A G S S- 0 0 43 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.315 74.9 -79.5 88.5-171.8 25.9 24.5 -4.8 53 53 A T - 0 0 58 29,-0.3 27,-2.8 -2,-0.1 28,-0.7 -0.967 31.5-174.1-135.9 145.1 26.0 22.1 -1.8 54 54 A V E -E 79 0B 19 -2,-0.3 2,-0.7 25,-0.3 23,-0.1 -0.949 27.1-127.4-129.3 158.6 28.2 19.4 -0.4 55 55 A D E +E 78 0B 55 23,-2.9 23,-2.4 -2,-0.3 3,-0.1 -0.932 38.4 157.0 -96.5 113.4 28.1 16.9 2.4 56 56 A Q > + 0 0 25 -2,-0.7 3,-2.1 21,-0.2 21,-0.1 -0.048 27.5 126.1-123.9 31.5 31.3 17.4 4.4 57 57 A S T 3 + 0 0 100 1,-0.3 -1,-0.1 19,-0.1 20,-0.1 0.691 61.9 71.8 -68.8 -12.6 29.9 15.9 7.6 58 58 A E T 3 S+ 0 0 105 18,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.700 82.7 97.8 -67.6 -23.4 33.0 13.5 7.6 59 59 A G < + 0 0 26 -3,-2.1 -18,-0.2 1,-0.1 -19,-0.1 -0.317 45.5 177.1 -72.4 148.6 35.1 16.6 8.5 60 60 A S + 0 0 93 -20,-3.2 -19,-0.2 -18,-0.1 -1,-0.1 0.391 65.2 71.8-124.4 -5.8 36.1 17.5 12.1 61 61 A F S S+ 0 0 87 -21,-1.4 2,-0.1 -19,-0.2 -20,-0.1 0.891 75.8 79.8 -86.4 -43.5 38.3 20.6 11.7 62 62 A L - 0 0 22 -22,-0.2 2,-0.1 -20,-0.1 11,-0.0 -0.414 69.8-135.0 -73.8 146.7 35.9 23.5 10.8 63 63 A D > - 0 0 78 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.423 33.2 -98.0 -88.6 170.6 33.8 25.3 13.3 64 64 A D H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 122.7 52.0 -59.5 -41.7 30.1 26.1 12.8 65 65 A E H > S+ 0 0 125 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 109.1 49.8 -63.9 -43.3 30.9 29.7 11.7 66 66 A Q H 4>S+ 0 0 37 1,-0.2 5,-2.0 2,-0.2 4,-0.3 0.924 112.8 46.5 -62.4 -43.2 33.4 28.6 9.1 67 67 A I H ><5S+ 0 0 79 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.921 110.8 53.5 -61.4 -40.2 31.0 26.0 7.7 68 68 A E H 3<5S+ 0 0 152 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.758 104.2 56.1 -67.4 -24.8 28.3 28.7 7.7 69 69 A Q T 3<5S- 0 0 96 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.476 124.6-102.1 -84.5 -5.5 30.5 31.0 5.7 70 70 A G T < 5 + 0 0 17 -3,-1.5 -21,-3.1 -4,-0.3 -3,-0.2 0.502 67.5 151.9 98.7 7.8 30.9 28.3 2.9 71 71 A Y E < -C 48 0A 19 -5,-2.0 2,-0.4 -23,-0.2 -1,-0.3 -0.371 23.6-167.7 -67.5 153.3 34.4 26.9 3.8 72 72 A V E -C 47 0A 0 -25,-2.3 -25,-2.6 -29,-0.1 2,-0.9 -0.999 30.0-132.0-147.2 139.8 34.9 23.3 2.8 73 73 A L E >> -C 46 0A 1 -2,-0.4 3,-1.2 -27,-0.2 4,-1.0 -0.827 25.3-163.0 -88.4 103.6 37.4 20.5 3.4 74 74 A T T 34 S+ 0 0 6 -29,-1.1 -50,-0.4 -2,-0.9 -1,-0.2 0.758 78.9 68.9 -66.4 -22.4 37.8 19.4 -0.2 75 75 A C T 34 S+ 0 0 7 1,-0.2 -1,-0.2 -41,-0.1 -51,-0.1 0.725 115.9 22.7 -71.8 -19.4 39.4 16.0 0.7 76 76 A I T <4 S+ 0 0 1 -3,-1.2 -18,-0.2 -53,-0.1 -1,-0.2 0.392 89.9 125.9-122.4 -3.3 36.1 14.7 2.1 77 77 A A < - 0 0 0 -4,-1.0 -54,-2.1 -21,-0.1 -53,-0.4 -0.412 39.4-163.6 -67.4 134.5 33.4 16.8 0.4 78 78 A I E -E 55 0B 41 -23,-2.4 -23,-2.9 -56,-0.2 -56,-0.2 -0.949 21.7-126.5-115.0 111.7 30.7 14.9 -1.4 79 79 A P E -E 54 0B 2 0, 0.0 -59,-0.6 0, 0.0 -25,-0.3 -0.279 25.0-178.7 -59.1 146.5 28.7 17.1 -3.9 80 80 A E S S+ 0 0 100 -27,-2.8 2,-0.3 1,-0.2 -26,-0.2 0.228 75.5 6.1-122.6 9.9 24.9 17.1 -3.6 81 81 A S S S- 0 0 34 -28,-0.7 -1,-0.2 -78,-0.1 2,-0.1 -0.934 108.0 -57.2-163.6 176.5 24.4 19.4 -6.6 82 82 A D - 0 0 80 -2,-0.3 2,-0.4 -80,-0.1 -29,-0.3 -0.493 69.3-165.3 -57.7 138.3 26.5 21.0 -9.3 83 83 A V E -b 4 0A 3 -80,-2.4 -78,-2.7 -31,-0.2 2,-0.4 -0.983 26.1-157.2-138.1 147.6 29.1 22.9 -7.2 84 84 A V E -bD 5 51A 34 -33,-2.3 -34,-2.9 -2,-0.4 -33,-1.5 -0.996 21.9-179.3-120.9 125.3 31.7 25.6 -7.8 85 85 A I E -bD 6 49A 0 -80,-2.7 -78,-2.8 -2,-0.4 2,-0.5 -0.998 24.6-140.8-130.2 131.2 34.5 25.7 -5.2 86 86 A E E -bD 7 48A 64 -38,-2.9 -38,-2.4 -2,-0.4 3,-0.2 -0.802 30.4-154.7 -83.1 125.4 37.5 28.0 -5.0 87 87 A T + 0 0 5 -80,-2.1 -40,-0.2 -2,-0.5 -41,-0.1 -0.343 62.9 45.0 -95.0 175.4 40.5 25.9 -3.9 88 88 A H + 0 0 67 -42,-0.3 3,-0.3 -43,-0.2 -41,-0.2 0.898 66.7 138.8 64.3 43.8 43.7 26.8 -2.1 89 89 A K > + 0 0 49 -43,-2.5 3,-2.7 -3,-0.2 4,-0.3 0.381 26.3 107.5-104.0 4.7 42.0 28.9 0.6 90 90 A E G > S+ 0 0 80 -44,-0.5 3,-2.1 -46,-0.3 -1,-0.2 0.840 70.8 68.3 -57.2 -29.7 43.9 27.8 3.8 91 91 A D G 3 S+ 0 0 141 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.568 87.8 68.3 -67.0 -6.9 45.7 31.2 3.9 92 92 A E G < 0 0 81 -3,-2.7 -1,-0.3 0, 0.0 -2,-0.2 0.619 360.0 360.0 -82.5 -13.5 42.4 32.9 4.7 93 93 A L < 0 0 108 -3,-2.1 -3,-0.0 -4,-0.3 -50,-0.0 0.001 360.0 360.0 -75.7 360.0 42.1 31.3 8.1