==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 28-AUG-96 1XER . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII STR. 7; . AUTHOR T.FUJII,Y.HATA,H.MORIYAMA,T.WAKAGI,N.TANAKA,T.OSHIMA . 103 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 49.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 22.3 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 9.7 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+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 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 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 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 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 G 0 0 79 0, 0.0 96,-0.2 0, 0.0 95,-0.2 0.000 360.0 360.0 360.0 161.9 5.2 15.8 11.0 2 2 A I - 0 0 20 94,-3.0 96,-0.1 1,-0.1 95,-0.0 -0.183 360.0-105.9 -62.4 146.3 5.4 12.3 12.5 3 3 A D > - 0 0 52 1,-0.2 3,-2.1 94,-0.1 4,-0.2 -0.680 22.0-150.8 -74.2 116.4 2.8 9.8 11.8 4 4 A P T 3 S+ 0 0 80 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.684 98.0 52.4 -64.9 -13.0 0.7 9.5 15.0 5 5 A N T >> S+ 0 0 95 1,-0.2 4,-2.6 2,-0.1 3,-1.8 0.211 72.1 119.0-105.4 15.7 -0.0 5.9 14.0 6 6 A Y H <> + 0 0 0 -3,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.789 64.6 64.7 -50.8 -36.3 3.7 5.0 13.6 7 7 A R H 34 S+ 0 0 50 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.743 117.6 26.5 -63.0 -25.4 3.6 2.3 16.3 8 8 A T H <4 S+ 0 0 119 -3,-1.8 -2,-0.2 3,-0.1 -1,-0.2 0.682 121.3 54.6-105.5 -28.3 1.1 0.2 14.3 9 9 A N H < S+ 0 0 97 -4,-2.6 2,-0.3 -6,-0.1 -3,-0.2 0.773 106.7 55.2 -77.2 -27.0 2.1 1.4 10.8 10 10 A R S < S- 0 0 61 -4,-2.4 2,-0.3 -5,-0.3 12,-0.0 -0.760 80.4-119.0-110.4 158.1 5.8 0.6 11.1 11 11 A Q - 0 0 125 -2,-0.3 12,-2.9 12,-0.1 2,-0.4 -0.661 24.6-124.7 -90.3 142.8 7.8 -2.5 12.0 12 12 A V E +A 22 0A 70 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.757 37.3 168.7 -82.5 132.5 10.1 -2.5 15.1 13 13 A V E - 0 0 84 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.563 52.7 -12.5-122.9 -18.1 13.4 -3.5 13.7 14 14 A G E -A 21 0A 31 7,-1.5 7,-2.6 2,-0.0 2,-0.3 -0.904 57.5-109.0-164.3-170.2 15.9 -2.9 16.5 15 15 A E E -A 20 0A 130 5,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.972 19.8-173.6-138.6 147.4 16.7 -1.4 19.9 16 16 A H E > -A 19 0A 33 3,-3.1 3,-2.2 -2,-0.3 19,-0.1 -0.946 69.7 -22.8-148.4 118.6 18.9 1.5 20.9 17 17 A S T 3 S- 0 0 61 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.780 129.3 -42.3 54.2 34.1 19.8 2.6 24.5 18 18 A G T 3 S+ 0 0 65 1,-0.3 2,-0.3 61,-0.1 -1,-0.3 0.356 121.2 93.2 98.9 -9.6 16.8 0.9 26.0 19 19 A H E < S-A 16 0A 3 -3,-2.2 -3,-3.1 16,-0.1 -1,-0.3 -0.874 73.9-108.2-119.9 157.4 14.1 1.9 23.4 20 20 A K E -A 15 0A 107 -2,-0.3 15,-2.5 -5,-0.2 2,-0.5 -0.387 23.1-143.7 -76.6 156.2 12.7 0.3 20.3 21 21 A V E -AB 14 34A 10 -7,-2.6 -8,-2.9 13,-0.2 -7,-1.5 -0.986 8.8-148.9-124.2 126.1 13.5 1.6 16.8 22 22 A Y E -AB 12 33A 10 11,-2.7 11,-1.8 -2,-0.5 -10,-0.3 -0.852 36.4-105.8 -98.6 129.8 10.8 1.5 14.2 23 23 A G S S+ 0 0 0 -12,-2.9 2,-0.2 -2,-0.5 -12,-0.1 -0.095 82.5 94.2 -83.0-173.3 12.0 1.0 10.6 24 24 A P + 0 0 82 0, 0.0 2,-0.4 0, 0.0 8,-0.1 0.492 58.0 174.3 -67.3 152.6 12.7 1.2 7.8 25 25 A V + 0 0 43 -2,-0.2 6,-0.2 6,-0.1 -2,-0.1 -0.990 14.1 156.3-134.4 114.9 16.3 1.8 8.8 26 26 A E B >> -E 30 0B 141 4,-2.8 4,-2.1 -2,-0.4 3,-0.5 -0.734 48.6-107.4-139.7 84.4 18.9 2.1 6.0 27 27 A P T 34 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 40,-0.1 -0.262 84.4 13.0 -57.4 149.4 21.8 4.1 7.4 28 28 A P T 34 S+ 0 0 57 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.999 131.9 33.2 -98.1 -4.5 22.9 6.7 7.0 29 29 A X T <4 S+ 0 0 119 -3,-0.5 2,-0.5 1,-0.2 41,-0.2 0.797 119.7 44.7 -77.5 -30.5 20.1 8.4 5.1 30 30 A V B < +E 26 0B 53 -4,-2.1 -4,-2.8 1,-0.1 -1,-0.2 -0.940 55.1 155.3-123.3 110.7 17.1 6.6 6.7 31 31 A L - 0 0 25 -2,-0.5 -6,-0.1 -6,-0.2 -1,-0.1 0.462 32.4-156.1-112.1 -7.8 17.1 6.2 10.5 32 32 A G - 0 0 0 -8,-0.1 10,-2.3 9,-0.1 11,-0.5 -0.140 38.7 -34.1 69.3-156.2 13.4 5.8 11.4 33 33 A I E -BC 22 41A 0 -11,-1.8 -11,-2.7 8,-0.3 2,-0.5 -0.896 47.6-154.3-111.1 132.7 11.8 6.6 14.7 34 34 A H E +BC 21 40A 12 6,-2.5 6,-2.4 -2,-0.4 -13,-0.2 -0.914 56.6 26.3-106.0 128.1 13.3 6.1 18.1 35 35 A G - 0 0 0 -15,-2.5 4,-0.1 -2,-0.5 -13,-0.1 0.016 47.8-144.0 106.6 152.1 11.1 5.5 21.1 36 36 A T S S+ 0 0 31 2,-0.2 3,-0.3 3,-0.1 65,-0.3 0.693 102.4 31.6-116.4 -51.2 7.7 4.2 22.1 37 37 A I S S+ 0 0 17 1,-0.3 64,-2.9 63,-0.1 2,-0.6 0.940 139.8 23.5 -74.1 -47.3 6.5 6.4 24.9 38 38 A V E S- D 0 100A 2 62,-0.2 2,-0.5 39,-0.2 -1,-0.3 -0.948 86.6-167.6-120.2 99.4 8.3 9.4 23.4 39 39 A G E - D 0 99A 0 60,-3.3 60,-2.5 -2,-0.6 2,-0.5 -0.827 6.7-170.9 -97.4 129.7 8.8 8.8 19.7 40 40 A V E -CD 34 98A 2 -6,-2.4 -6,-2.5 -2,-0.5 2,-1.0 -0.982 19.4-139.7-121.5 119.0 11.2 11.0 17.7 41 41 A D E >> -C 33 0A 11 56,-2.7 4,-2.6 -2,-0.5 3,-1.7 -0.699 12.7-166.4 -79.7 102.8 11.3 10.6 13.9 42 42 A F T 34 S+ 0 0 0 -10,-2.3 -1,-0.2 -2,-1.0 28,-0.2 0.712 86.5 61.6 -62.3 -24.1 15.0 10.9 13.1 43 43 A D T 34 S+ 0 0 47 -11,-0.5 -1,-0.3 1,-0.1 -10,-0.1 0.664 113.4 34.3 -78.8 -13.8 14.1 11.4 9.4 44 44 A L T <4 S+ 0 0 57 -3,-1.7 -2,-0.2 -12,-0.2 -1,-0.1 0.776 92.7 103.6-105.1 -36.5 12.2 14.6 10.3 45 45 A C < - 0 0 12 -4,-2.6 28,-0.1 52,-0.2 25,-0.1 -0.183 41.8-178.1 -52.4 130.4 14.4 15.9 13.1 46 46 A I - 0 0 81 26,-0.1 -1,-0.1 23,-0.0 26,-0.1 0.192 51.6-105.6-116.2 14.4 16.6 18.8 12.1 47 47 A A + 0 0 27 24,-0.1 27,-0.1 1,-0.0 -2,-0.1 0.870 65.1 152.7 62.1 41.3 18.3 19.2 15.5 48 48 A D - 0 0 83 1,-0.1 -1,-0.0 27,-0.0 26,-0.0 0.903 40.0-149.2 -65.2 -42.3 16.4 22.4 16.4 49 49 A G > + 0 0 15 3,-0.0 4,-2.2 1,-0.0 5,-0.1 0.487 59.0 122.6 88.1 2.5 16.8 21.6 20.1 50 50 A S H > S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.870 74.7 57.3 -64.8 -35.2 13.7 23.1 21.5 51 51 A C H >> S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 3,-0.5 0.946 109.7 42.1 -58.8 -51.8 12.7 19.8 22.9 52 52 A I H 34 S+ 0 0 58 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.893 113.8 55.5 -61.4 -37.5 15.9 19.5 24.9 53 53 A N H 3< S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.738 116.4 35.3 -69.2 -21.1 15.5 23.1 25.8 54 54 A A H << S+ 0 0 39 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.808 86.9 103.4-103.8 -33.9 12.0 22.5 27.2 55 55 A C >< - 0 0 25 -4,-2.7 3,-0.7 -5,-0.2 5,-0.0 -0.316 46.3-168.5 -60.9 116.6 12.0 19.1 28.9 56 56 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.642 82.7 50.5 -80.0 -13.8 12.2 19.4 32.7 57 57 A V T 3 S- 0 0 48 22,-0.0 -2,-0.1 0, 0.0 25,-0.1 0.158 106.5-113.7-114.1 21.5 13.0 15.7 33.2 58 58 A N < + 0 0 116 -3,-0.7 21,-0.1 -6,-0.1 24,-0.1 0.920 56.7 153.4 49.9 59.1 15.9 15.0 30.9 59 59 A V + 0 0 3 19,-0.1 20,-2.5 23,-0.1 2,-0.2 0.863 57.6 56.4 -81.1 -35.1 14.2 12.6 28.4 60 60 A F + 0 0 20 17,-0.2 2,-0.3 18,-0.2 15,-0.1 -0.627 52.8 177.2-105.5 156.6 16.5 13.6 25.5 61 61 A Q E -F 76 0C 93 15,-1.4 15,-3.0 -2,-0.2 2,-0.3 -0.945 41.6 -95.6-145.3 155.7 20.2 13.6 24.7 62 62 A W E -F 75 0C 90 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.589 38.8-169.7 -76.3 139.4 22.1 14.5 21.5 63 63 A Y E -F 74 0C 84 11,-2.0 11,-2.1 -2,-0.3 2,-0.2 -0.993 20.4-124.6-133.2 122.4 22.9 11.5 19.4 64 64 A D E +F 73 0C 115 -2,-0.4 9,-0.3 9,-0.2 8,-0.1 -0.470 27.9 174.8 -73.8 135.7 25.2 11.8 16.4 65 65 A T > - 0 0 8 7,-2.2 3,-1.4 -2,-0.2 6,-0.2 -0.660 14.6-165.1-138.4 73.5 24.1 10.7 13.1 66 66 A P T 3 S+ 0 0 92 0, 0.0 6,-0.1 0, 0.0 7,-0.0 -0.435 73.1 27.8 -63.9 133.2 26.8 11.6 10.5 67 67 A G T 3 S+ 0 0 24 1,-0.3 5,-0.1 -2,-0.1 3,-0.0 0.357 82.1 133.6 100.3 -6.6 25.6 11.4 6.9 68 68 A H < - 0 0 10 -3,-1.4 -1,-0.3 3,-0.2 -39,-0.2 -0.637 52.3-142.7 -80.3 134.9 21.9 12.1 7.5 69 69 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.746 96.6 51.3 -67.5 -27.6 20.4 14.7 5.2 70 70 A A S S- 0 0 36 1,-0.4 2,-0.3 -41,-0.2 -27,-0.1 0.868 130.0 -37.4 -78.5 -38.7 18.1 16.4 7.7 71 71 A S - 0 0 19 -6,-0.2 -1,-0.4 -29,-0.1 -3,-0.2 -0.931 44.7-121.3-175.9 163.1 20.9 16.9 10.4 72 72 A E S S+ 0 0 118 -2,-0.3 -7,-2.2 -26,-0.1 2,-0.3 0.210 96.8 48.9-102.7 14.2 23.9 15.2 11.8 73 73 A K E -F 64 0C 78 -9,-0.3 2,-0.3 -8,-0.1 -9,-0.2 -0.977 66.8-167.6-149.3 148.2 22.6 15.1 15.3 74 74 A K E -F 63 0C 0 -11,-2.1 -11,-2.0 -2,-0.3 2,-0.9 -0.975 31.1-111.1-140.2 152.8 19.3 14.1 16.7 75 75 A A E -F 62 0C 2 -2,-0.3 -13,-0.2 -13,-0.2 -30,-0.1 -0.772 39.7-160.4 -84.1 107.5 17.4 14.3 20.0 76 76 A D E -F 61 0C 0 -15,-3.0 2,-2.4 -2,-0.9 -15,-1.4 -0.835 19.0-132.7 -96.0 126.4 17.3 10.7 21.2 77 77 A P > + 0 0 0 0, 0.0 3,-1.8 0, 0.0 -17,-0.2 -0.249 44.9 155.8 -74.0 55.4 14.7 9.7 23.9 78 78 A V T 3 S+ 0 0 44 -2,-2.4 3,-0.2 1,-0.3 -18,-0.2 0.855 76.8 35.3 -52.6 -39.6 17.3 7.9 26.1 79 79 A N T > S+ 0 0 80 -20,-2.5 3,-2.6 -3,-0.3 4,-0.4 -0.240 72.3 146.2-110.7 44.4 15.1 8.4 29.2 80 80 A E G X + 0 0 18 -3,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.808 68.2 61.9 -50.4 -32.3 11.6 8.1 27.6 81 81 A Q G 3 S+ 0 0 170 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.547 91.6 64.3 -74.4 -7.3 10.3 6.4 30.8 82 82 A A G < S+ 0 0 44 -3,-2.6 -1,-0.3 -24,-0.1 -2,-0.2 0.575 75.4 128.1 -87.3 -10.8 10.9 9.5 32.9 83 83 A C < - 0 0 19 -3,-1.3 -3,-0.0 -4,-0.4 -28,-0.0 -0.160 41.6-170.9 -50.2 127.7 8.4 11.4 30.8 84 84 A I - 0 0 99 18,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.166 48.4-110.2-106.5 17.0 5.7 13.1 32.9 85 85 A F + 0 0 76 1,-0.1 -2,-0.1 16,-0.0 15,-0.0 0.928 60.9 155.8 54.4 57.6 3.7 13.9 29.7 86 86 A C - 0 0 75 1,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.726 39.4-148.0 -78.3 -26.4 4.2 17.7 29.6 87 87 A M > + 0 0 79 1,-0.1 4,-1.4 3,-0.0 5,-0.1 0.549 63.1 120.8 66.4 10.5 3.5 17.6 25.8 88 88 A A H > + 0 0 33 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.952 69.8 48.2 -67.9 -50.2 6.0 20.6 25.6 89 89 A C H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 9,-0.2 0.910 107.2 57.4 -57.1 -43.4 8.4 18.9 23.3 90 90 A V H 4 S+ 0 0 46 1,-0.2 -1,-0.2 2,-0.2 8,-0.2 0.891 115.6 37.0 -55.3 -39.5 5.5 17.8 21.0 91 91 A N H < S+ 0 0 134 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.726 114.3 52.9 -86.8 -27.1 4.5 21.5 20.7 92 92 A V H < S+ 0 0 53 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.701 79.7 103.2 -83.2 -22.2 8.0 23.1 20.6 93 93 A C >< - 0 0 25 -4,-1.9 3,-1.3 -5,-0.2 5,-0.1 -0.486 63.2-151.4 -64.8 118.5 9.4 21.0 17.8 94 94 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -49,-0.0 0.735 96.5 40.7 -63.2 -21.9 9.3 23.2 14.6 95 95 A V T 3 S- 0 0 44 -3,-0.0 -93,-0.1 -94,-0.0 -2,-0.1 0.321 106.1-122.8-109.1 9.4 9.0 20.1 12.4 96 96 A A < + 0 0 44 -3,-1.3 -94,-3.0 -95,-0.2 -6,-0.1 0.915 58.7 149.3 49.4 51.4 6.5 18.1 14.6 97 97 A A + 0 0 1 -96,-0.2 -56,-2.7 -53,-0.1 2,-0.4 0.533 44.7 81.0 -91.3 -5.3 9.0 15.2 14.8 98 98 A I E +D 40 0A 7 -8,-0.2 2,-0.4 -58,-0.2 -58,-0.2 -0.835 48.6 179.5-111.5 139.0 7.8 14.1 18.2 99 99 A D E -D 39 0A 33 -60,-2.5 -60,-3.3 -2,-0.4 2,-0.5 -0.990 10.4-161.2-135.7 125.5 4.9 11.9 19.4 100 100 A V E +D 38 0A 18 -2,-0.4 -62,-0.2 -62,-0.2 -63,-0.1 -0.926 9.5 178.9-112.5 123.9 4.2 11.1 23.0 101 101 A K - 0 0 69 -64,-2.9 -2,-0.0 -2,-0.5 -16,-0.0 -0.960 26.0-134.4-125.9 108.6 1.9 8.2 24.0 102 102 A P 0 0 65 0, 0.0 -18,-0.0 0, 0.0 -2,-0.0 -0.393 360.0 360.0 -59.4 138.2 1.5 7.4 27.7 103 103 A P 0 0 146 0, 0.0 -66,-0.0 0, 0.0 0, 0.0 0.827 360.0 360.0 -66.1 360.0 1.8 3.6 28.1