==== 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 11-JUN-09 3A39 . 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) . 4934.0 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 0.000 360.0 360.0 360.0 142.0 31.4 34.1 3.4 2 2 A A - 0 0 52 1,-0.1 68,-0.0 2,-0.1 56,-0.0 -0.409 360.0-104.2 -79.9 147.6 29.9 32.0 6.2 3 3 A P > - 0 0 37 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.238 35.7-104.6 -61.5 162.1 28.4 33.6 9.3 4 4 A A T 3 S+ 0 0 117 1,-0.3 -2,-0.1 63,-0.1 63,-0.0 0.784 122.3 45.1 -61.1 -28.9 30.4 33.4 12.5 5 5 A N T 3 S+ 0 0 70 2,-0.1 63,-1.8 64,-0.0 -1,-0.3 0.132 83.1 137.1-103.5 20.4 28.1 30.7 13.8 6 6 A A B < -a 68 0A 10 -3,-2.0 2,-0.2 61,-0.2 63,-0.2 -0.345 66.0-102.7 -63.1 145.0 28.1 28.6 10.6 7 7 A V - 0 0 1 61,-2.7 2,-0.2 57,-0.1 14,-0.1 -0.541 47.6-152.1 -61.4 131.6 28.5 24.8 11.1 8 8 A T > - 0 0 82 -2,-0.2 3,-1.5 -3,-0.1 6,-0.2 -0.673 26.4-110.5-110.5 169.7 32.0 24.1 10.1 9 9 A A T 3 S+ 0 0 79 1,-0.3 9,-0.1 -2,-0.2 -1,-0.1 0.686 116.3 57.0 -67.1 -17.9 33.9 21.1 8.7 10 10 A D T 3 S+ 0 0 135 4,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.501 76.1 114.4 -94.8 -2.7 35.6 20.6 12.1 11 11 A D <> - 0 0 19 -3,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.497 68.3-135.7 -69.3 127.1 32.4 20.3 14.2 12 12 A P H > S+ 0 0 105 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.873 105.1 46.3 -55.8 -41.2 32.2 16.7 15.5 13 13 A T H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 6,-0.2 0.884 110.7 53.2 -67.6 -39.3 28.5 16.4 14.7 14 14 A A H >>S+ 0 0 3 2,-0.2 5,-2.2 1,-0.2 4,-0.5 0.899 111.0 47.2 -60.0 -41.4 29.2 17.8 11.2 15 15 A I H ><5S+ 0 0 104 -4,-2.5 3,-1.0 2,-0.2 -2,-0.2 0.952 112.7 48.4 -63.8 -48.5 31.9 15.2 10.7 16 16 A A H 3<5S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.867 117.8 41.0 -60.7 -38.1 29.7 12.4 12.0 17 17 A L H 3<5S- 0 0 44 -4,-2.5 59,-3.2 -5,-0.1 -1,-0.3 0.379 106.8-123.8 -90.4 -1.9 26.7 13.4 9.7 18 18 A K T <<5 - 0 0 113 -3,-1.0 9,-0.4 -4,-0.5 -3,-0.2 0.892 44.4-179.1 58.6 40.1 28.9 14.2 6.7 19 19 A Y < + 0 0 24 -5,-2.2 2,-0.3 -6,-0.2 56,-0.2 -0.460 12.0 175.3 -67.1 143.3 27.6 17.8 6.5 20 20 A N B -B 74 0B 56 54,-2.4 54,-2.1 -2,-0.2 50,-0.1 -0.981 33.5-138.5-140.1 140.3 28.8 20.1 3.8 21 21 A Q S S+ 0 0 79 -2,-0.3 2,-0.5 52,-0.2 51,-0.3 0.629 99.6 56.9 -70.3 -9.5 27.5 23.6 3.2 22 22 A D S > S- 0 0 52 3,-0.2 3,-2.3 52,-0.1 51,-0.3 -0.958 72.5-160.1-121.4 107.6 27.5 22.8 -0.5 23 23 A A G > S+ 0 0 4 49,-3.2 3,-1.0 -2,-0.5 5,-0.3 0.718 90.6 66.8 -61.3 -22.3 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 0.682 101.2 50.4 -72.6 -13.9 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 -0.397 100.0 97.4-110.7 45.3 30.4 18.5 -2.5 26 26 A S S < S- 0 0 27 -3,-1.0 3,-0.3 -5,-0.1 -7,-0.1 -0.852 78.8-122.5-127.7 169.9 28.5 15.9 -0.4 27 27 A E > + 0 0 109 -9,-0.4 4,-2.0 -2,-0.3 5,-0.2 -0.071 64.6 129.4-102.2 33.4 28.1 12.2 -0.3 28 28 A R H > S+ 0 0 28 -5,-0.3 4,-1.7 1,-0.2 5,-0.5 0.847 70.9 55.2 -57.6 -36.0 24.3 12.3 -0.7 29 29 A V H 4 S+ 0 0 82 -3,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.957 107.4 48.2 -63.7 -47.4 24.4 9.8 -3.6 30 30 A A H 4 S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.877 112.4 49.6 -57.4 -41.6 26.3 7.2 -1.5 31 31 A A H < S- 0 0 39 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.799 82.5-164.6 -71.9 -31.7 23.9 7.6 1.4 32 32 A A < - 0 0 62 -4,-1.7 -3,-0.1 -3,-0.3 -4,-0.1 0.845 14.0-166.1 51.3 44.5 20.7 7.2 -0.7 33 33 A R > - 0 0 107 -5,-0.5 3,-0.6 1,-0.1 -1,-0.1 -0.268 22.4-105.2 -63.8 146.1 18.6 8.7 2.1 34 34 A P T 3 S+ 0 0 88 0, 0.0 46,-0.4 0, 0.0 -1,-0.1 -0.351 89.1 53.2 -78.2 155.0 14.9 8.0 1.4 35 35 A G T 3 S+ 0 0 53 44,-0.1 44,-0.1 -2,-0.1 -2,-0.0 -0.092 108.9 23.0 122.6 -33.3 12.2 10.5 0.3 36 36 A L S < S- 0 0 48 -3,-0.6 5,-0.1 44,-0.0 44,-0.0 -0.966 95.8 -83.7-147.5 155.5 13.7 12.0 -2.8 37 37 A P > - 0 0 73 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.301 52.9-112.7 -54.2 141.6 16.4 10.9 -5.4 38 38 A P G > S+ 0 0 34 0, 0.0 3,-1.9 0, 0.0 -9,-0.1 0.812 111.5 62.9 -56.5 -38.5 19.6 11.8 -3.7 39 39 A E G 3 S+ 0 0 121 1,-0.3 -10,-0.1 -11,-0.1 -11,-0.0 0.686 100.6 54.9 -66.3 -11.2 20.6 14.5 -6.2 40 40 A E G < S+ 0 0 104 -3,-2.2 2,-0.4 2,-0.0 -1,-0.3 0.492 86.6 104.8 -92.4 -7.7 17.6 16.5 -5.3 41 41 A Q < + 0 0 0 -3,-1.9 2,-0.3 -4,-0.3 -13,-0.1 -0.665 34.4 134.4 -85.3 132.4 18.3 16.6 -1.5 42 42 A H > - 0 0 51 -2,-0.4 3,-1.7 32,-0.1 32,-0.2 -0.970 66.0 -86.7-162.8 172.4 19.6 19.6 0.2 43 43 A C G > S+ 0 0 15 30,-2.1 3,-2.2 27,-0.3 6,-0.3 0.877 117.0 66.0 -56.1 -35.6 18.9 21.6 3.4 44 44 A A G 3 S+ 0 0 43 27,-2.2 -1,-0.3 1,-0.3 28,-0.1 0.792 108.0 39.6 -57.8 -29.8 16.2 23.8 1.8 45 45 A N G < S+ 0 0 40 -3,-1.7 36,-2.4 26,-0.2 2,-0.4 0.112 95.7 110.7-107.2 26.1 13.9 20.7 1.4 46 46 A C B X -C 80 0C 13 -3,-2.2 3,-1.5 34,-0.2 34,-0.2 -0.780 69.0-134.4-103.9 140.0 14.8 19.1 4.7 47 47 A Q T 3 S+ 0 0 66 32,-2.8 33,-0.1 -2,-0.4 -1,-0.1 0.708 104.6 57.7 -59.6 -25.2 12.4 18.8 7.7 48 48 A F T 3 S+ 0 0 59 31,-0.3 14,-2.6 29,-0.1 2,-0.3 0.553 78.6 109.4 -89.1 -4.5 15.1 20.0 10.1 49 49 A M E < -D 61 0D 35 -3,-1.5 2,-0.8 -6,-0.3 12,-0.2 -0.571 61.7-145.6 -75.6 125.8 15.7 23.3 8.4 50 50 A Q E > -D 60 0D 74 10,-2.5 3,-1.5 -2,-0.3 10,-1.5 -0.867 13.4-172.0-102.1 101.8 14.5 26.2 10.4 51 51 A A E 3 S+ 0 0 71 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.637 83.8 55.9 -69.3 -17.9 13.1 28.9 8.1 52 52 A N E 3 S+ 0 0 163 3,-0.0 2,-0.4 -3,-0.0 -1,-0.3 0.367 95.1 79.2 -97.7 8.5 12.6 31.4 10.9 53 53 A V E < S- 0 0 60 -3,-1.5 7,-1.0 7,-0.1 2,-0.2 -0.900 92.1 -2.6-117.1 133.8 16.3 31.2 12.2 54 54 A G E S-D 59 0D 46 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.510 81.4 -85.0 90.7-155.8 19.2 33.1 10.4 55 55 A E E > S-D 58 0D 151 3,-2.4 3,-2.2 -2,-0.2 2,-0.1 -0.959 72.7 -22.3-159.1 139.1 19.1 35.2 7.3 56 56 A G T 3 S- 0 0 44 -2,-0.3 15,-0.0 1,-0.3 0, 0.0 -0.346 128.3 -9.5 64.4-129.9 19.3 34.7 3.6 57 57 A D T 3 S+ 0 0 88 -2,-0.1 14,-2.6 1,-0.1 2,-0.7 0.489 121.6 83.3 -81.4 -2.4 21.0 31.5 2.6 58 58 A W E < +DE 55 70D 42 -3,-2.2 -3,-2.4 12,-0.2 2,-0.2 -0.898 61.4 159.0-112.5 104.4 22.1 30.8 6.2 59 59 A K E -DE 54 69D 30 10,-1.9 10,-3.1 -2,-0.7 -5,-0.2 -0.713 39.3 -86.6-123.2 171.3 19.4 29.2 8.2 60 60 A G E -D 50 0D 0 -10,-1.5 -10,-2.5 -7,-1.0 2,-0.4 -0.345 25.9-159.6 -75.3 159.8 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 -0.988 18.5-140.2-133.3 130.3 19.0 23.3 11.6 62 62 A Q T 3 S+ 0 0 105 -14,-2.6 -13,-0.1 -2,-0.4 -1,-0.1 0.827 103.0 56.3 -57.8 -32.0 17.4 21.7 14.5 63 63 A L T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -15,-0.1 -14,-0.1 0.599 105.3 53.0 -76.0 -13.1 20.3 19.2 14.8 64 64 A F S X S- 0 0 6 -3,-1.9 3,-1.9 3,-0.1 -3,-0.4 -0.647 81.3-163.4-122.7 69.4 22.9 22.0 15.1 65 65 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.302 73.9 17.3 -63.9 136.3 21.6 24.3 18.0 66 66 A G T 3 S+ 0 0 71 1,-0.3 2,-0.2 -5,-0.1 -6,-0.0 0.430 114.2 85.3 85.4 8.9 23.2 27.7 18.1 67 67 A K < - 0 0 85 -3,-1.9 -6,-0.4 -6,-0.3 2,-0.4 -0.666 67.5-123.2-132.8-179.6 24.5 27.5 14.6 68 68 A L B -a 6 0A 16 -63,-1.8 -61,-2.7 -2,-0.2 -8,-0.2 -0.981 14.8-163.8-132.1 141.4 23.6 28.1 10.9 69 69 A I E -E 59 0D 2 -10,-3.1 -10,-1.9 -2,-0.4 2,-0.5 -0.602 30.0-106.5-104.3 170.2 23.6 25.8 7.9 70 70 A N E > -E 58 0D 17 -12,-0.2 3,-2.6 -2,-0.2 -27,-0.3 -0.887 18.4-133.6 -97.9 135.4 23.5 26.8 4.3 71 71 A V T 3 S+ 0 0 20 -14,-2.6 -27,-2.2 -2,-0.5 -26,-0.2 0.700 109.3 55.6 -58.2 -20.5 20.2 26.1 2.5 72 72 A N T 3 S+ 0 0 78 -15,-0.3 -49,-3.2 -51,-0.3 -48,-0.3 0.259 95.6 93.3 -94.0 10.3 22.3 24.7 -0.3 73 73 A G < - 0 0 0 -3,-2.6 -30,-2.1 -51,-0.3 2,-0.3 -0.038 55.6-156.8 -91.7-170.1 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 -0.955 10.3-178.6-163.0 151.5 23.4 18.6 3.0 75 75 A C > - 0 0 13 -2,-0.3 3,-1.9 -56,-0.2 -57,-0.2 -0.950 46.3 -99.3-146.9 171.7 24.0 16.0 5.7 76 76 A A T 3 S+ 0 0 34 -59,-3.2 -58,-0.1 1,-0.3 -59,-0.0 0.582 116.4 69.2 -72.3 -4.0 23.2 12.4 6.3 77 77 A S T 3 + 0 0 34 -60,-0.2 -1,-0.3 2,-0.1 -29,-0.1 0.267 69.1 141.4 -91.4 8.5 20.3 13.4 8.4 78 78 A W < + 0 0 6 -3,-1.9 2,-0.3 -32,-0.1 -32,-0.1 -0.277 23.8 174.5 -54.7 132.4 18.5 14.8 5.5 79 79 A T - 0 0 62 -36,-0.1 -32,-2.8 -46,-0.1 -31,-0.3 -0.995 38.7 -94.2-142.7 135.2 14.8 14.1 5.8 80 80 A L B -C 46 0C 72 -46,-0.4 2,-1.0 -2,-0.3 -34,-0.2 -0.256 37.4-114.9 -57.5 138.0 12.0 15.3 3.5 81 81 A K + 0 0 105 -36,-2.4 -1,-0.1 1,-0.2 -35,-0.1 -0.574 49.9 159.9 -70.9 101.2 10.3 18.5 4.6 82 82 A A 0 0 88 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.451 360.0 360.0-107.1 -10.0 6.8 17.1 5.2 83 83 A G 0 0 93 -36,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.991 360.0 360.0 173.9 360.0 5.3 19.8 7.5