==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 10-JUN-09 3A38 . COMPND 2 MOLECULE: HIGH-POTENTIAL IRON-SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCHROMATIUM TEPIDUM; . AUTHOR K.TAKEDA,K.KUSUMOTO,Y.HIRANO,K.MIKI . 83 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 15.7 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 1.2 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 . 4 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.9 31.5 34.1 3.4 2 2 A A - 0 0 52 1,-0.1 68,-0.0 2,-0.1 56,-0.0 -0.419 360.0-104.3 -79.5 150.0 30.0 32.0 6.1 3 3 A P > - 0 0 36 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.229 35.4-105.3 -62.9 161.9 28.5 33.5 9.3 4 4 A A T 3 S+ 0 0 117 1,-0.3 -2,-0.1 63,-0.1 63,-0.0 0.783 121.9 45.1 -62.6 -26.9 30.5 33.4 12.5 5 5 A N T 3 S+ 0 0 71 2,-0.1 63,-1.7 64,-0.0 -1,-0.3 0.128 83.0 137.1-104.9 20.2 28.2 30.6 13.8 6 6 A A B < -a 68 0A 10 -3,-2.0 2,-0.2 61,-0.2 63,-0.2 -0.344 66.9-101.7 -62.9 144.8 28.1 28.5 10.6 7 7 A V - 0 0 3 61,-2.7 2,-0.3 57,-0.1 14,-0.1 -0.551 48.0-149.8 -61.6 132.1 28.5 24.8 11.1 8 8 A T > - 0 0 80 -2,-0.2 3,-1.6 -3,-0.1 6,-0.2 -0.693 25.8-112.4-107.4 163.6 32.2 24.0 10.2 9 9 A A T 3 S+ 0 0 80 -2,-0.3 9,-0.1 1,-0.3 -1,-0.1 0.689 116.6 57.2 -62.9 -23.2 33.9 21.0 8.7 10 10 A D T 3 S+ 0 0 135 4,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.534 75.4 113.9 -92.4 -5.2 35.6 20.5 12.1 11 11 A D <> - 0 0 19 -3,-1.6 4,-2.5 1,-0.1 5,-0.2 -0.501 68.7-135.1 -68.7 130.0 32.4 20.2 14.2 12 12 A P H > S+ 0 0 106 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.871 105.2 46.5 -57.6 -40.7 32.2 16.7 15.5 13 13 A T H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 6,-0.2 0.885 110.6 53.2 -68.1 -39.3 28.5 16.3 14.7 14 14 A A H >>S+ 0 0 3 2,-0.2 5,-2.2 1,-0.2 4,-0.5 0.902 111.1 47.3 -60.6 -40.2 29.1 17.8 11.2 15 15 A I H ><5S+ 0 0 105 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.953 112.6 48.3 -64.5 -48.5 31.8 15.1 10.7 16 16 A A H 3<5S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.861 118.5 39.9 -60.5 -37.3 29.6 12.3 12.0 17 17 A L H 3<5S- 0 0 36 -4,-2.5 59,-3.2 -5,-0.1 -1,-0.3 0.385 106.8-125.6 -91.4 -0.6 26.7 13.4 9.7 18 18 A K T <<5 - 0 0 115 -3,-1.1 9,-0.4 -4,-0.5 -3,-0.2 0.868 43.2-178.4 52.1 45.8 29.0 14.2 6.7 19 19 A Y < + 0 0 23 -5,-2.2 2,-0.3 -6,-0.2 56,-0.2 -0.407 12.0 178.4 -66.2 142.9 27.6 17.7 6.5 20 20 A N B -B 74 0B 54 54,-2.4 54,-2.1 -2,-0.1 50,-0.1 -0.982 33.0-137.7-140.1 141.3 28.8 20.1 3.8 21 21 A Q S S+ 0 0 86 -2,-0.3 2,-0.5 52,-0.2 51,-0.3 0.665 101.2 56.3 -65.1 -15.7 27.5 23.7 3.2 22 22 A D S > S- 0 0 51 3,-0.2 3,-2.3 52,-0.1 51,-0.3 -0.947 72.3-160.8-123.7 107.9 27.5 22.8 -0.5 23 23 A A G > S+ 0 0 4 49,-3.1 3,-1.0 -2,-0.5 5,-0.3 0.726 90.8 66.9 -61.3 -21.9 25.4 19.7 -1.4 24 24 A T G 3 S+ 0 0 104 48,-0.3 -1,-0.3 1,-0.3 49,-0.1 0.675 101.2 50.2 -72.5 -14.7 27.3 19.3 -4.6 25 25 A K G < S+ 0 0 141 -3,-2.3 2,-0.3 -5,-0.0 -1,-0.3 -0.402 99.9 97.9-110.3 45.4 30.4 18.5 -2.5 26 26 A S S < S- 0 0 26 -3,-1.0 3,-0.3 -5,-0.1 -7,-0.1 -0.860 78.9-122.4-127.9 170.0 28.5 15.9 -0.4 27 27 A E > + 0 0 108 -9,-0.4 4,-2.0 -2,-0.3 5,-0.2 -0.060 64.6 129.4-102.1 33.5 28.0 12.2 -0.3 28 28 A R H > S+ 0 0 28 -5,-0.3 4,-1.6 1,-0.2 5,-0.5 0.841 70.6 55.1 -58.1 -35.9 24.2 12.3 -0.7 29 29 A V H 4 S+ 0 0 79 -3,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.960 107.7 47.7 -63.7 -48.3 24.4 9.8 -3.6 30 30 A A H 4 S+ 0 0 82 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.876 112.1 50.2 -58.4 -40.1 26.2 7.2 -1.5 31 31 A A H < S- 0 0 40 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.785 82.7-164.4 -72.1 -30.9 23.8 7.6 1.4 32 32 A A < - 0 0 65 -4,-1.6 -3,-0.1 -3,-0.3 -4,-0.1 0.840 13.7-166.8 51.2 43.9 20.7 7.2 -0.7 33 33 A R > - 0 0 106 -5,-0.5 3,-0.6 1,-0.1 -1,-0.1 -0.287 22.4-106.2 -63.6 145.5 18.5 8.7 2.1 34 34 A P T 3 S+ 0 0 89 0, 0.0 46,-0.4 0, 0.0 -1,-0.1 -0.362 88.5 54.2 -78.7 154.3 14.8 8.1 1.4 35 35 A G T 3 S+ 0 0 53 44,-0.1 44,-0.1 -2,-0.1 -2,-0.0 -0.082 108.5 22.2 124.6 -32.3 12.2 10.6 0.3 36 36 A L S < S- 0 0 48 -3,-0.6 5,-0.1 44,-0.0 44,-0.0 -0.967 95.0 -84.6-148.7 155.2 13.7 12.1 -2.8 37 37 A P > - 0 0 70 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.317 52.2-112.5 -54.0 146.5 16.3 11.0 -5.4 38 38 A P G > S+ 0 0 35 0, 0.0 3,-1.7 0, 0.0 -9,-0.1 0.783 112.2 61.3 -61.6 -30.8 19.6 11.9 -3.8 39 39 A E G 3 S+ 0 0 119 1,-0.3 -10,-0.1 -11,-0.1 -11,-0.0 0.654 102.2 56.0 -68.4 -13.5 20.6 14.6 -6.3 40 40 A E G < S+ 0 0 101 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.440 86.0 103.6 -92.2 -7.1 17.5 16.5 -5.3 41 41 A Q < + 0 0 0 -3,-1.7 2,-0.3 -4,-0.3 -13,-0.1 -0.676 35.3 134.9 -90.1 132.1 18.3 16.6 -1.6 42 42 A H > - 0 0 55 -2,-0.4 3,-1.8 32,-0.1 32,-0.2 -0.978 66.4 -88.4-159.3 172.9 19.6 19.8 0.2 43 43 A C G > S+ 0 0 15 30,-2.2 3,-2.2 27,-0.3 6,-0.3 0.863 117.0 67.2 -58.0 -35.4 18.9 21.6 3.4 44 44 A A G 3 S+ 0 0 45 27,-2.2 -1,-0.3 1,-0.3 28,-0.1 0.787 107.3 39.7 -58.4 -29.1 16.2 23.8 1.9 45 45 A N G < S+ 0 0 41 -3,-1.8 36,-2.3 26,-0.2 2,-0.4 0.112 95.6 110.0-106.9 26.1 13.9 20.7 1.4 46 46 A C B X -C 80 0C 12 -3,-2.2 3,-1.5 34,-0.2 34,-0.2 -0.786 69.1-134.5-103.6 140.0 14.8 19.1 4.7 47 47 A Q T 3 S+ 0 0 51 32,-2.8 33,-0.1 -2,-0.4 -1,-0.1 0.715 104.5 57.1 -58.6 -27.3 12.4 18.8 7.7 48 48 A F T 3 S+ 0 0 51 31,-0.3 14,-2.3 29,-0.1 -1,-0.3 0.551 78.6 109.4 -87.4 -6.8 15.1 20.0 10.1 49 49 A M E < -D 61 0D 37 -3,-1.5 2,-0.7 -6,-0.3 12,-0.3 -0.507 61.5-146.4 -70.5 134.5 15.8 23.3 8.3 50 50 A Q E > -D 60 0D 71 10,-2.7 3,-1.6 -2,-0.2 10,-1.5 -0.853 13.4-172.7-109.9 100.9 14.5 26.2 10.4 51 51 A A E 3 S+ 0 0 73 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.690 83.1 56.3 -72.1 -15.3 13.3 28.9 8.1 52 52 A N E 3 S+ 0 0 164 3,-0.0 2,-0.4 7,-0.0 -1,-0.3 0.319 95.2 79.0 -97.3 8.5 12.7 31.4 10.8 53 53 A V E < S- 0 0 60 -3,-1.6 7,-1.0 7,-0.1 2,-0.2 -0.938 92.5 -1.6-117.2 133.8 16.4 31.2 12.2 54 54 A G E S-D 59 0D 45 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.535 81.8 -84.6 91.1-156.6 19.2 33.1 10.4 55 55 A E E > S-D 58 0D 151 3,-2.4 3,-2.1 -2,-0.2 2,-0.1 -0.957 72.3 -23.9-158.0 138.5 19.2 35.2 7.3 56 56 A G T 3 S- 0 0 43 -2,-0.3 15,-0.1 1,-0.3 0, 0.0 -0.335 128.3 -8.2 64.7-128.7 19.4 34.7 3.6 57 57 A D T 3 S+ 0 0 87 -2,-0.1 14,-2.6 1,-0.1 2,-0.7 0.493 121.8 82.5 -81.2 -2.6 21.1 31.5 2.6 58 58 A W E < +DE 55 70D 39 -3,-2.1 -3,-2.4 12,-0.2 2,-0.2 -0.908 61.4 159.7-113.2 105.0 22.2 30.8 6.2 59 59 A K E -DE 54 69D 30 10,-1.8 10,-3.1 -2,-0.7 -5,-0.2 -0.706 38.9 -87.7-123.5 170.8 19.4 29.2 8.2 60 60 A G E -D 50 0D 0 -10,-1.5 -10,-2.7 -7,-1.0 2,-0.3 -0.352 27.5-159.0 -75.2 160.5 18.9 27.1 11.3 61 61 A C E > -D 49 0D 13 6,-0.4 3,-1.9 3,-0.4 6,-0.3 -0.987 18.8-136.7-134.4 129.7 19.0 23.3 11.6 62 62 A Q T 3 S+ 0 0 100 -14,-2.3 -13,-0.1 -2,-0.3 -1,-0.1 0.846 105.9 53.1 -33.2 -50.2 17.3 21.4 14.5 63 63 A L T 3 S+ 0 0 56 1,-0.2 -1,-0.3 -15,-0.1 -14,-0.1 0.605 105.6 52.4 -78.0 -12.6 20.3 19.2 14.8 64 64 A F S X S- 0 0 6 -3,-1.9 3,-1.8 3,-0.1 -3,-0.4 -0.646 78.7-163.2-123.9 69.1 22.9 22.0 15.1 65 65 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.316 73.7 16.4 -64.7 136.3 21.6 24.2 17.9 66 66 A G T 3 S+ 0 0 71 1,-0.3 2,-0.2 -5,-0.1 -6,-0.0 0.470 114.2 86.1 84.1 10.2 23.2 27.7 18.1 67 67 A K < - 0 0 86 -3,-1.8 -6,-0.4 -6,-0.3 2,-0.4 -0.699 68.1-123.0-131.7-178.7 24.5 27.5 14.6 68 68 A L B -a 6 0A 16 -63,-1.7 -61,-2.7 -2,-0.2 -8,-0.2 -0.981 14.8-163.8-132.7 140.8 23.6 28.1 10.9 69 69 A I E -E 59 0D 2 -10,-3.1 -10,-1.8 -2,-0.4 2,-0.4 -0.598 30.3-106.3-103.3 170.7 23.6 25.8 7.9 70 70 A N E > -E 58 0D 16 -12,-0.2 3,-2.6 -2,-0.2 -27,-0.3 -0.885 18.5-133.3 -98.4 136.1 23.5 26.8 4.3 71 71 A V T 3 S+ 0 0 22 -14,-2.6 -27,-2.2 -2,-0.4 -26,-0.2 0.705 109.6 54.8 -58.0 -21.6 20.2 26.2 2.5 72 72 A N T 3 S+ 0 0 77 -15,-0.3 -49,-3.1 -51,-0.3 -48,-0.3 0.249 95.7 93.8 -94.3 10.8 22.3 24.7 -0.3 73 73 A G < - 0 0 0 -3,-2.6 -30,-2.2 -51,-0.3 2,-0.3 -0.036 55.3-156.7 -91.5-169.5 24.0 22.2 2.0 74 74 A W B -B 20 0B 2 -54,-2.1 -54,-2.4 -32,-0.2 2,-0.3 -0.951 10.4-178.5-163.7 151.1 23.3 18.6 3.0 75 75 A C > - 0 0 12 -2,-0.3 3,-2.2 -56,-0.2 -57,-0.2 -0.951 45.6 -99.4-146.5 171.6 24.0 16.0 5.7 76 76 A A T 3 S+ 0 0 33 -59,-3.2 -58,-0.1 1,-0.3 -59,-0.0 0.585 116.4 66.4 -72.3 -9.1 23.1 12.4 6.2 77 77 A S T 3 S+ 0 0 40 -60,-0.2 -1,-0.3 2,-0.1 -29,-0.1 0.356 71.2 143.7 -85.2 3.8 20.2 13.2 8.5 78 78 A W < + 0 0 6 -3,-2.2 2,-0.3 -32,-0.1 -32,-0.1 -0.176 24.2 176.7 -46.5 132.6 18.4 14.8 5.5 79 79 A T - 0 0 61 -36,-0.1 -32,-2.8 -46,-0.1 -31,-0.3 -0.995 37.1 -94.4-142.8 135.6 14.7 14.1 5.8 80 80 A L B -C 46 0C 71 -46,-0.4 2,-1.0 -2,-0.3 -34,-0.2 -0.252 37.7-115.0 -57.4 137.7 12.0 15.3 3.4 81 81 A K + 0 0 105 -36,-2.3 -1,-0.1 1,-0.2 -35,-0.1 -0.578 49.6 159.9 -70.9 104.2 10.3 18.5 4.5 82 82 A A 0 0 88 -2,-1.0 -1,-0.2 -3,-0.0 -2,-0.1 0.437 360.0 360.0-109.2 -9.1 6.8 17.2 5.2 83 83 A G 0 0 86 -36,-0.0 -2,-0.1 0, 0.0 -36,-0.0 0.488 360.0 360.0 169.3 360.0 5.4 19.9 7.4