==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 08-MAY-00 1EYT . COMPND 2 MOLECULE: HIGH-POTENTIAL IRON-SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCHROMATIUM TEPIDUM; . AUTHOR T.NOGI,I.FATHIR,M.KOBAYASHI,T.NOZAWA,K.MIKI . 83 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 45 54.2 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 . 5 6.0 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+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 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 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 0 143 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 32.7 -8.1 -4.7 3.5 2 2 A A - 0 0 53 1,-0.1 68,-0.0 2,-0.1 4,-0.0 -0.426 360.0-110.0 -73.5 140.4 -6.9 -2.4 6.3 3 3 A P > - 0 0 39 0, 0.0 3,-1.6 0, 0.0 65,-0.1 -0.176 33.5-103.4 -63.0 162.9 -5.3 -4.0 9.4 4 4 A A T 3 S+ 0 0 117 1,-0.3 -2,-0.1 63,-0.0 63,-0.0 0.770 120.8 43.6 -60.6 -27.7 -7.2 -3.8 12.7 5 5 A N T 3 S+ 0 0 71 2,-0.1 63,-1.9 64,-0.0 -1,-0.3 0.016 82.2 137.3-108.4 27.9 -5.0 -0.9 14.0 6 6 A A B < -a 68 0A 11 -3,-1.6 2,-0.3 61,-0.2 63,-0.2 -0.434 67.5 -98.2 -72.4 146.7 -4.9 1.1 10.8 7 7 A V - 0 0 4 61,-2.8 2,-0.2 -2,-0.1 -1,-0.1 -0.509 49.3-154.8 -64.3 127.7 -5.2 4.9 11.2 8 8 A T > - 0 0 70 -2,-0.3 3,-1.2 1,-0.1 6,-0.2 -0.597 26.9-110.9-105.2 168.5 -8.9 5.6 10.4 9 9 A A T 3 S+ 0 0 88 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 0.625 115.8 60.5 -70.6 -15.0 -10.7 8.7 9.2 10 10 A D T 3 S+ 0 0 117 4,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.503 75.7 114.7 -89.8 -7.2 -12.4 9.2 12.6 11 11 A D <> - 0 0 19 -3,-1.2 4,-2.4 1,-0.1 5,-0.2 -0.502 66.6-140.5 -66.3 120.4 -9.0 9.5 14.3 12 12 A P H > S+ 0 0 100 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.901 102.5 44.6 -49.5 -47.6 -8.9 13.1 15.7 13 13 A T H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 6,-0.2 0.857 110.2 55.5 -67.8 -34.7 -5.2 13.5 14.7 14 14 A A H 4>S+ 0 0 3 2,-0.2 5,-2.6 1,-0.2 4,-0.4 0.891 110.5 45.9 -64.7 -38.2 -5.8 12.0 11.3 15 15 A I H ><5S+ 0 0 105 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.944 113.3 48.9 -68.4 -47.4 -8.5 14.6 10.7 16 16 A A H 3<5S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.860 116.0 43.0 -60.0 -38.9 -6.3 17.5 12.0 17 17 A L T 3<5S- 0 0 40 -4,-2.5 59,-3.8 -5,-0.1 -1,-0.3 0.407 108.3-122.3 -89.4 0.8 -3.4 16.4 9.8 18 18 A K T < 5 - 0 0 105 -3,-1.1 9,-0.4 -4,-0.4 -3,-0.2 0.879 46.1-179.3 60.1 40.1 -5.5 15.7 6.7 19 19 A Y < + 0 0 29 -5,-2.6 2,-0.3 -6,-0.2 56,-0.2 -0.440 12.9 172.4 -74.5 144.6 -4.3 12.1 6.6 20 20 A N B -B 74 0B 56 54,-1.9 54,-2.0 -2,-0.1 50,-0.1 -0.963 35.8-136.7-149.5 136.1 -5.5 9.7 3.8 21 21 A Q S S+ 0 0 90 -2,-0.3 2,-0.5 52,-0.2 51,-0.3 0.615 99.0 59.2 -68.9 -11.5 -4.2 6.2 3.1 22 22 A D S > S- 0 0 54 3,-0.2 3,-2.2 1,-0.1 51,-0.3 -0.944 70.5-160.6-122.1 107.3 -4.2 7.1 -0.6 23 23 A A G > S+ 0 0 6 49,-3.1 3,-0.9 -2,-0.5 5,-0.3 0.759 90.4 65.0 -57.5 -28.5 -2.0 10.0 -1.5 24 24 A T G 3 S+ 0 0 104 1,-0.3 -1,-0.3 48,-0.3 49,-0.1 0.602 102.0 51.8 -72.1 -9.5 -3.9 10.6 -4.8 25 25 A K G < S+ 0 0 141 -3,-2.2 -1,-0.3 -5,-0.1 2,-0.3 -0.388 98.9 92.8-118.3 49.1 -6.9 11.4 -2.6 26 26 A S S < S- 0 0 30 -3,-0.9 3,-0.3 -5,-0.1 -7,-0.1 -0.834 80.8-116.0-135.4 173.8 -5.2 14.0 -0.5 27 27 A E > + 0 0 111 -9,-0.4 4,-1.8 -2,-0.3 5,-0.2 -0.072 67.8 126.8-102.0 31.7 -4.6 17.7 -0.3 28 28 A R H > S+ 0 0 30 -5,-0.3 4,-1.5 1,-0.2 5,-0.4 0.857 70.7 55.5 -57.7 -36.0 -0.8 17.4 -0.7 29 29 A V H 4 S+ 0 0 82 -3,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.940 109.6 45.0 -64.9 -44.5 -0.8 19.9 -3.6 30 30 A A H 4 S+ 0 0 89 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.807 110.2 53.9 -69.8 -28.9 -2.5 22.6 -1.6 31 31 A A H < S- 0 0 43 -4,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.826 83.9-164.2 -74.3 -30.9 -0.3 22.1 1.5 32 32 A A < - 0 0 64 -4,-1.5 -3,-0.1 -5,-0.2 -4,-0.1 0.834 11.5-166.8 48.6 41.9 2.8 22.6 -0.6 33 33 A R > - 0 0 64 -5,-0.4 3,-0.6 1,-0.1 -1,-0.2 -0.293 21.7-108.4 -57.6 141.1 5.1 21.1 2.1 34 34 A P T 3 S+ 0 0 106 0, 0.0 46,-0.5 0, 0.0 -1,-0.1 -0.322 87.6 54.8 -74.8 152.0 8.8 21.7 1.4 35 35 A G T 3 S+ 0 0 54 44,-0.1 44,-0.1 -2,-0.1 -2,-0.0 -0.111 107.2 21.1 124.4 -38.9 11.3 19.1 0.3 36 36 A L S < S- 0 0 50 -3,-0.6 5,-0.1 44,-0.0 44,-0.0 -0.978 95.4 -79.4-155.7 153.5 9.9 17.5 -2.8 37 37 A P > - 0 0 69 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.363 50.9-114.5 -56.6 141.4 7.3 18.5 -5.4 38 38 A P G > S+ 0 0 38 0, 0.0 3,-1.7 0, 0.0 -9,-0.1 0.826 111.9 58.9 -44.7 -47.3 3.8 17.9 -3.9 39 39 A E G 3 S+ 0 0 122 1,-0.3 -10,-0.1 -11,-0.1 -11,-0.0 0.637 103.1 54.4 -64.5 -13.6 2.8 15.1 -6.3 40 40 A E G < S+ 0 0 106 -3,-2.1 2,-0.4 2,-0.0 -1,-0.3 0.467 85.3 107.8 -97.6 -2.8 5.8 13.0 -5.2 41 41 A Q < + 0 0 0 -3,-1.7 2,-0.3 -4,-0.4 -13,-0.1 -0.641 35.3 132.6 -86.0 128.6 5.0 13.1 -1.5 42 42 A H > - 0 0 53 -2,-0.4 3,-1.4 32,-0.1 32,-0.2 -0.956 67.9 -87.0-158.1 169.7 3.7 10.0 0.4 43 43 A C G > S+ 0 0 15 30,-2.0 3,-2.0 27,-0.4 6,-0.3 0.831 116.7 68.2 -51.4 -37.5 4.4 8.1 3.5 44 44 A A G 3 S+ 0 0 42 27,-2.2 -1,-0.3 1,-0.3 28,-0.1 0.808 108.4 35.6 -55.6 -35.0 7.1 5.9 1.8 45 45 A N G < S+ 0 0 37 -3,-1.4 36,-1.9 26,-0.2 2,-0.4 0.040 94.9 113.7-109.3 27.9 9.4 8.9 1.5 46 46 A C B X -C 80 0C 13 -3,-2.0 3,-1.2 34,-0.2 34,-0.2 -0.796 67.2-134.7-100.3 140.2 8.5 10.6 4.8 47 47 A Q T 3 S+ 0 0 68 32,-3.2 33,-0.1 -2,-0.4 -1,-0.1 0.753 102.5 57.7 -62.4 -26.3 11.0 10.9 7.7 48 48 A F T 3 S+ 0 0 53 31,-0.3 14,-2.9 29,-0.1 -1,-0.2 0.559 78.9 108.3 -85.3 -7.9 8.3 9.8 10.2 49 49 A M E < -D 61 0D 41 -3,-1.2 2,-0.6 -6,-0.3 12,-0.3 -0.440 60.6-145.5 -70.6 143.9 7.5 6.4 8.6 50 50 A Q E > -D 60 0D 66 10,-2.8 10,-1.6 1,-0.1 3,-1.5 -0.898 13.9-174.0-115.1 102.0 8.8 3.4 10.5 51 51 A A E 3 S+ 0 0 64 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.638 83.5 61.6 -68.4 -16.1 9.8 0.6 8.2 52 52 A N E 3 S+ 0 0 167 3,-0.0 2,-0.4 7,-0.0 -1,-0.3 0.417 94.5 74.8 -90.8 -0.1 10.4 -1.8 11.1 53 53 A V E < S- 0 0 59 -3,-1.5 7,-1.0 7,-0.1 -3,-0.1 -0.935 93.8 -1.4-116.8 136.4 6.8 -1.6 12.2 54 54 A G E S-D 59 0D 44 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.298 80.4 -87.1 84.9-171.1 3.9 -3.4 10.5 55 55 A E E > S-D 58 0D 154 3,-1.2 3,-2.2 -2,-0.1 2,-0.1 -0.985 71.6 -22.0-142.9 150.4 4.0 -5.5 7.4 56 56 A G T 3 S- 0 0 34 -2,-0.3 15,-0.0 1,-0.3 0, 0.0 -0.280 129.0 -8.2 56.7-125.3 3.7 -5.0 3.6 57 57 A D T 3 S+ 0 0 86 1,-0.1 14,-2.5 13,-0.1 2,-0.7 0.484 122.6 82.2 -83.1 -4.1 2.0 -1.8 2.7 58 58 A W E < +DE 55 70D 41 -3,-2.2 -3,-1.2 12,-0.2 12,-0.2 -0.870 59.8 156.9-109.5 104.2 1.0 -1.1 6.3 59 59 A K E -DE 54 69D 41 10,-1.5 10,-3.3 -2,-0.7 -5,-0.2 -0.658 39.5 -90.4-119.1 174.4 3.9 0.5 8.3 60 60 A G E -D 50 0D 0 -10,-1.6 -10,-2.8 -7,-1.0 2,-0.4 -0.336 25.8-155.9 -83.6 164.9 4.3 2.6 11.4 61 61 A C E > -D 49 0D 13 6,-0.4 3,-1.8 3,-0.4 6,-0.2 -0.985 19.9-135.8-141.0 128.9 4.4 6.4 11.7 62 62 A Q T 3 S+ 0 0 105 -14,-2.9 -13,-0.1 -2,-0.4 -1,-0.1 0.787 105.5 56.5 -54.7 -28.0 6.1 8.1 14.5 63 63 A L T 3 S+ 0 0 56 1,-0.2 -1,-0.3 -15,-0.1 -14,-0.1 0.595 105.6 49.9 -83.0 -10.9 3.1 10.5 14.8 64 64 A F S X S- 0 0 6 -3,-1.8 3,-1.9 3,-0.1 -3,-0.4 -0.648 81.2-160.2-126.7 73.2 0.5 7.7 15.3 65 65 A P T 3 S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.279 75.6 13.3 -58.7 132.3 1.8 5.5 18.1 66 66 A G T 3 S+ 0 0 72 1,-0.3 2,-0.2 -5,-0.1 -6,-0.0 0.475 114.0 89.9 82.9 2.7 0.3 2.0 18.2 67 67 A K < - 0 0 83 -3,-1.9 -6,-0.4 -6,-0.2 2,-0.4 -0.702 66.7-126.7-124.4 175.8 -1.3 2.4 14.7 68 68 A L B -a 6 0A 15 -63,-1.9 -61,-2.8 -2,-0.2 -8,-0.2 -0.969 15.2-166.0-128.1 142.3 -0.4 1.7 11.1 69 69 A I E -E 59 0D 2 -10,-3.3 -10,-1.5 -2,-0.4 2,-0.4 -0.649 30.9-102.2-114.5 173.8 -0.5 3.9 8.0 70 70 A N E > -E 58 0D 18 -2,-0.2 3,-2.5 -12,-0.2 -27,-0.4 -0.862 19.0-135.0-101.1 134.9 -0.3 3.0 4.3 71 71 A V T 3 S+ 0 0 19 -14,-2.5 -27,-2.2 -2,-0.4 -26,-0.2 0.722 108.6 54.3 -58.3 -20.6 3.0 3.6 2.6 72 72 A N T 3 S+ 0 0 80 -15,-0.3 -49,-3.1 -51,-0.3 -1,-0.3 0.270 95.9 91.5 -97.4 10.5 1.0 5.1 -0.3 73 73 A G < - 0 0 0 -3,-2.5 -30,-2.0 -51,-0.3 2,-0.3 -0.069 56.9-154.9 -91.7-165.7 -0.8 7.6 2.0 74 74 A W B -B 20 0B 3 -54,-2.0 -54,-1.9 -32,-0.2 2,-0.3 -0.968 9.3-174.3-167.7 154.9 0.0 11.2 3.0 75 75 A C > - 0 0 13 -2,-0.3 3,-2.1 -56,-0.2 -57,-0.2 -0.961 44.3-100.1-151.6 160.1 -0.7 13.7 5.8 76 76 A A T 3 S+ 0 0 29 -59,-3.8 -58,-0.1 -2,-0.3 -59,-0.0 0.619 116.6 65.9 -59.6 -14.6 0.1 17.4 6.3 77 77 A S T 3 S+ 0 0 30 -60,-0.2 -1,-0.3 2,-0.1 -29,-0.1 0.383 70.9 144.3 -88.8 3.4 3.1 16.5 8.5 78 78 A W < + 0 0 3 -3,-2.1 2,-0.4 -32,-0.1 -32,-0.1 -0.131 24.2 179.6 -46.4 131.9 4.9 14.9 5.6 79 79 A T - 0 0 58 -36,-0.1 -32,-3.2 -46,-0.1 -31,-0.3 -0.998 35.7 -98.0-140.4 133.1 8.7 15.6 5.9 80 80 A L B -C 46 0C 74 -46,-0.5 2,-0.8 -2,-0.4 -34,-0.2 -0.221 38.4-115.9 -53.9 132.1 11.4 14.4 3.5 81 81 A K + 0 0 120 -36,-1.9 -1,-0.1 1,-0.2 -35,-0.1 -0.616 47.5 160.6 -72.1 109.7 13.1 11.2 4.7 82 82 A A 0 0 86 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.496 360.0 360.0-108.6 -9.1 16.7 12.4 5.2 83 83 A G 0 0 104 -3,-0.1 -1,-0.2 -36,-0.0 -2,-0.1 -0.295 360.0 360.0-102.1 360.0 17.9 9.6 7.5