==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 01-MAR-02 1IUA . COMPND 2 MOLECULE: HIGH-POTENTIAL IRON-SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCHROMATIUM TEPIDUM; . AUTHOR L.LIU,T.NOGI,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) . 4839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 53.0 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 . 2 2.4 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 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.6 -9.7 -5.4 3.7 2 2 A A - 0 0 56 1,-0.1 68,-0.0 2,-0.1 56,-0.0 -0.336 360.0 -96.6 -76.2 156.2 -7.7 -3.4 6.2 3 3 A P > - 0 0 36 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.254 39.3-104.8 -66.0 160.5 -6.0 -4.9 9.3 4 4 A A T 3 S+ 0 0 117 1,-0.3 -2,-0.1 63,-0.0 63,-0.0 0.744 119.8 44.5 -61.2 -28.8 -7.9 -4.7 12.5 5 5 A N T 3 S+ 0 0 71 2,-0.1 63,-1.8 64,-0.0 -1,-0.3 0.065 80.8 140.3-106.7 25.3 -5.7 -1.9 13.8 6 6 A A B < -a 68 0A 16 -3,-1.9 63,-0.2 61,-0.2 2,-0.2 -0.381 63.6-101.6 -63.0 143.5 -5.6 0.2 10.7 7 7 A V - 0 0 5 61,-2.6 2,-0.3 -2,-0.1 -1,-0.1 -0.463 40.1-141.1 -61.3 131.3 -5.8 4.0 11.3 8 8 A T > - 0 0 79 -2,-0.2 3,-1.8 1,-0.1 6,-0.2 -0.704 15.0-119.3 -97.6 152.3 -9.4 5.1 10.5 9 9 A A T 3 S+ 0 0 71 -2,-0.3 10,-0.1 1,-0.3 9,-0.1 0.713 111.0 51.7 -63.5 -28.3 -10.1 8.3 8.7 10 10 A D T 3 S+ 0 0 123 4,-0.1 -1,-0.3 5,-0.1 5,-0.0 0.326 74.9 122.6 -99.4 14.0 -12.1 9.8 11.6 11 11 A D S <> S- 0 0 27 -3,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.477 74.9-119.8 -55.3 133.7 -9.4 9.2 14.3 12 12 A P H > S+ 0 0 107 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.826 114.3 46.6 -47.8 -42.0 -8.8 12.6 15.7 13 13 A T H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 6,-0.2 0.865 109.2 54.1 -71.9 -37.4 -5.1 12.5 14.7 14 14 A A H 4>S+ 0 0 2 -6,-0.2 5,-2.0 -3,-0.2 4,-0.5 0.876 111.5 46.8 -60.9 -36.7 -6.1 11.3 11.2 15 15 A I H ><5S+ 0 0 85 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.964 113.9 46.3 -67.3 -49.7 -8.4 14.3 10.8 16 16 A A H 3<5S+ 0 0 80 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.880 121.3 37.5 -62.0 -38.4 -5.8 16.7 12.1 17 17 A L T 3<5S- 0 0 35 -4,-2.5 59,-3.4 -5,-0.1 -1,-0.3 0.392 104.9-125.7 -93.2 0.0 -3.1 15.3 9.9 18 18 A K T < 5 - 0 0 98 -3,-1.0 9,-0.4 -4,-0.5 2,-0.3 0.924 41.2-175.3 53.2 46.8 -5.3 14.6 6.9 19 19 A Y < + 0 0 15 -5,-2.0 2,-0.3 -6,-0.2 56,-0.2 -0.532 10.5 178.0 -71.3 138.6 -4.2 11.0 6.8 20 20 A N B -B 74 0B 54 54,-2.5 54,-2.2 -2,-0.3 50,-0.1 -0.997 32.7-139.3-135.4 140.9 -5.5 8.8 3.9 21 21 A Q S S+ 0 0 88 -2,-0.3 2,-0.5 52,-0.2 51,-0.3 0.647 99.6 53.9 -69.3 -11.6 -4.6 5.2 3.3 22 22 A D S > S- 0 0 55 52,-0.1 3,-2.3 1,-0.1 51,-0.3 -0.949 72.4-158.9-127.3 107.5 -4.4 6.0 -0.4 23 23 A A G > S+ 0 0 4 49,-3.4 3,-1.6 -2,-0.5 5,-0.4 0.760 91.2 66.4 -59.0 -26.1 -2.1 9.0 -1.2 24 24 A T G 3 S+ 0 0 93 48,-0.3 -1,-0.3 1,-0.3 49,-0.1 0.670 103.4 47.7 -69.2 -13.0 -3.9 9.5 -4.5 25 25 A K G < S+ 0 0 132 -3,-2.3 -1,-0.3 -5,-0.0 -2,-0.2 0.079 101.4 98.6-106.7 18.4 -6.9 10.5 -2.4 26 26 A S S < S- 0 0 28 -3,-1.6 3,-0.4 -6,-0.1 4,-0.1 -0.539 82.3-113.1-110.5 172.4 -4.9 12.8 -0.1 27 27 A E S > S+ 0 0 104 -9,-0.4 4,-2.3 1,-0.2 5,-0.2 0.064 72.1 123.5 -87.9 24.4 -4.1 16.5 0.3 28 28 A R H > S+ 0 0 25 -5,-0.4 4,-1.6 1,-0.2 5,-0.4 0.865 72.8 49.4 -59.9 -39.4 -0.5 16.1 -0.5 29 29 A V H 4 S+ 0 0 78 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.928 111.7 49.3 -62.4 -42.0 -0.5 18.6 -3.4 30 30 A A H 4 S+ 0 0 80 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.900 111.0 48.8 -62.7 -43.0 -2.2 21.2 -1.2 31 31 A A H < S- 0 0 39 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.779 82.9-163.1 -72.9 -30.1 0.2 20.8 1.7 32 32 A A < - 0 0 65 -4,-1.6 -3,-0.1 -5,-0.2 -4,-0.1 0.855 13.8-168.0 53.6 42.4 3.3 21.1 -0.5 33 33 A R > - 0 0 109 -5,-0.4 3,-0.6 1,-0.1 -1,-0.1 -0.313 23.5-106.5 -64.1 144.5 5.6 19.6 2.2 34 34 A P T 3 S+ 0 0 87 0, 0.0 46,-0.5 0, 0.0 -1,-0.1 -0.331 88.9 56.5 -75.6 153.7 9.2 19.9 1.4 35 35 A G T 3 S+ 0 0 47 44,-0.1 44,-0.1 -2,-0.0 -2,-0.0 -0.065 106.5 21.2 127.2 -42.1 11.5 17.2 0.2 36 36 A L S < S- 0 0 47 -3,-0.6 5,-0.1 44,-0.0 44,-0.0 -0.966 95.0 -83.1-143.3 154.3 9.9 15.7 -2.9 37 37 A P > - 0 0 76 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.281 53.2-114.3 -48.3 140.5 7.4 17.0 -5.4 38 38 A P G > S+ 0 0 38 0, 0.0 3,-1.8 0, 0.0 -9,-0.1 0.809 111.5 62.2 -65.7 -31.2 4.1 16.3 -3.7 39 39 A E G 3 S+ 0 0 122 1,-0.3 -10,-0.1 -11,-0.1 -11,-0.0 0.666 102.1 55.6 -66.6 -14.5 2.8 13.7 -6.1 40 40 A E G < S+ 0 0 102 -3,-2.1 2,-0.3 -12,-0.1 -1,-0.3 0.531 86.5 105.1 -87.2 -9.3 5.8 11.6 -5.2 41 41 A Q < + 0 0 0 -3,-1.8 2,-0.3 -4,-0.4 -13,-0.1 -0.581 35.6 134.4 -84.6 133.1 5.0 11.6 -1.4 42 42 A H > - 0 0 53 -2,-0.3 3,-1.6 32,-0.0 32,-0.2 -0.952 66.7 -85.9-159.8 174.4 3.5 8.6 0.4 43 43 A C G > S+ 0 0 15 30,-1.9 3,-2.2 27,-0.4 6,-0.3 0.848 117.7 64.9 -57.4 -36.4 4.2 6.7 3.6 44 44 A A G 3 S+ 0 0 39 27,-2.1 -1,-0.3 1,-0.3 28,-0.1 0.744 106.9 42.0 -62.9 -23.6 6.8 4.4 2.1 45 45 A N G < S+ 0 0 37 -3,-1.6 36,-2.3 26,-0.2 2,-0.4 0.102 95.6 106.4-108.5 27.9 9.2 7.3 1.5 46 46 A C B X S-C 80 0C 12 -3,-2.2 3,-1.4 34,-0.2 34,-0.2 -0.822 70.6-134.8-106.8 140.1 8.4 9.0 4.9 47 47 A Q T 3 S+ 0 0 76 32,-3.0 33,-0.1 -2,-0.4 -1,-0.1 0.727 103.2 58.4 -61.3 -26.6 10.8 9.0 7.8 48 48 A F T 3 S+ 0 0 56 31,-0.3 14,-2.5 29,-0.1 -1,-0.3 0.588 78.6 106.7 -85.5 -10.9 8.1 8.1 10.3 49 49 A M E < -D 61 0D 34 -3,-1.4 2,-0.8 -6,-0.3 12,-0.3 -0.485 65.9-140.3 -67.4 137.9 7.1 4.8 8.5 50 50 A Q E > -D 60 0D 64 10,-2.7 3,-1.5 -2,-0.2 10,-1.2 -0.877 14.0-169.3-106.9 105.9 8.3 1.8 10.5 51 51 A A E 3 S+ 0 0 56 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.658 87.4 52.7 -65.2 -19.7 9.7 -0.9 8.2 52 52 A N E 3 S+ 0 0 161 -3,-0.1 2,-0.4 3,-0.1 -1,-0.3 0.102 95.5 78.2-110.1 22.0 9.8 -3.4 11.1 53 53 A V E < S- 0 0 58 -3,-1.5 7,-1.4 7,-0.1 -3,-0.1 -0.989 95.1 -2.4-127.6 136.1 6.2 -2.9 12.3 54 54 A G E S-D 59 0D 40 -2,-0.4 2,-0.3 5,-0.3 5,-0.2 -0.317 80.7 -96.8 78.0-167.5 3.3 -4.6 10.5 55 55 A E E > -D 58 0D 151 3,-2.1 3,-2.2 -2,-0.1 2,-0.1 -0.995 69.2 -15.2-151.7 147.7 3.6 -6.7 7.3 56 56 A G T 3 S- 0 0 45 -2,-0.3 15,-0.0 1,-0.3 0, 0.0 -0.366 128.8 -11.0 63.8-131.1 3.1 -6.2 3.6 57 57 A D T 3 S+ 0 0 88 -2,-0.1 14,-2.6 1,-0.1 2,-0.7 0.446 124.4 77.9 -82.0 -3.0 1.4 -3.0 2.7 58 58 A W E < +DE 55 70D 48 -3,-2.2 -3,-2.1 12,-0.2 12,-0.2 -0.916 63.5 158.5-117.3 103.5 0.3 -2.3 6.3 59 59 A K E -DE 54 69D 27 10,-1.6 10,-3.1 -2,-0.7 -5,-0.3 -0.687 39.1 -88.4-124.6 167.0 3.2 -0.9 8.3 60 60 A G E -D 50 0D 0 -7,-1.4 -10,-2.7 -10,-1.2 2,-0.4 -0.348 25.6-158.2 -73.3 159.8 3.8 1.1 11.4 61 61 A C E > -D 49 0D 12 3,-0.4 3,-1.8 6,-0.4 6,-0.3 -0.992 19.0-138.4-134.3 131.3 4.0 4.9 11.7 62 62 A Q T 3 S+ 0 0 103 -14,-2.5 -13,-0.1 -2,-0.4 -1,-0.1 0.764 104.8 55.6 -58.6 -27.6 5.7 6.5 14.7 63 63 A L T 3 S+ 0 0 56 1,-0.2 -1,-0.3 -15,-0.1 -14,-0.1 0.575 106.5 50.1 -82.1 -11.7 2.9 9.0 14.9 64 64 A F S X S- 0 0 6 -3,-1.8 3,-2.0 3,-0.1 -3,-0.4 -0.616 82.1-164.4-124.0 67.4 0.1 6.4 15.2 65 65 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.321 74.0 15.8 -64.5 134.1 1.4 4.1 18.0 66 66 A G T 3 S+ 0 0 71 1,-0.3 2,-0.2 -5,-0.1 -6,-0.0 0.371 114.2 88.2 89.8 -3.8 -0.4 0.7 18.1 67 67 A K < - 0 0 86 -3,-2.0 2,-0.4 -6,-0.3 -6,-0.4 -0.556 68.3-125.6-119.5 176.0 -1.9 1.1 14.7 68 68 A L B -a 6 0A 18 -63,-1.8 -61,-2.6 -2,-0.2 2,-0.2 -0.993 15.3-164.7-127.2 141.7 -1.0 0.4 11.0 69 69 A I E -E 59 0D 2 -10,-3.1 -10,-1.6 -2,-0.4 2,-0.4 -0.638 30.5-104.7-105.0 172.3 -0.9 2.8 8.1 70 70 A N E > -E 58 0D 16 -12,-0.2 3,-2.5 -2,-0.2 -27,-0.4 -0.865 18.9-133.5 -99.2 135.6 -0.8 1.8 4.4 71 71 A V T 3 S+ 0 0 16 -14,-2.6 -27,-2.1 -2,-0.4 -26,-0.2 0.708 109.6 54.2 -56.8 -23.2 2.6 2.2 2.6 72 72 A N T 3 S+ 0 0 78 -15,-0.3 -49,-3.4 -51,-0.3 -48,-0.3 0.242 96.2 93.3 -93.1 10.6 0.6 3.8 -0.2 73 73 A G < - 0 0 0 -3,-2.5 -30,-1.9 -51,-0.3 2,-0.3 -0.026 55.7-156.8 -92.5-168.3 -1.0 6.4 2.1 74 74 A W B -B 20 0B 0 -54,-2.2 -54,-2.5 -32,-0.2 2,-0.3 -0.955 10.2-176.7-164.3 152.4 -0.1 9.9 3.2 75 75 A C > - 0 0 13 -2,-0.3 3,-2.1 -56,-0.2 -57,-0.2 -0.954 44.9 -99.7-147.9 172.0 -0.6 12.5 5.9 76 76 A A T 3 S+ 0 0 33 -59,-3.4 -58,-0.1 1,-0.3 -59,-0.0 0.588 116.4 66.6 -72.7 -9.8 0.5 16.1 6.4 77 77 A S T 3 S+ 0 0 40 -60,-0.2 -1,-0.3 2,-0.1 -29,-0.1 0.339 70.4 144.7 -86.3 7.0 3.4 15.1 8.7 78 78 A W < - 0 0 6 -3,-2.1 2,-0.4 -32,-0.1 -32,-0.1 -0.197 26.5-177.1 -48.8 130.1 5.0 13.4 5.7 79 79 A T - 0 0 60 -36,-0.1 -32,-3.0 -46,-0.1 -31,-0.3 -1.000 35.1 -98.6-138.0 126.7 8.8 13.9 6.1 80 80 A L B -C 46 0C 81 -46,-0.5 -34,-0.2 -2,-0.4 2,-0.1 -0.225 43.6-115.7 -53.0 127.6 11.4 12.8 3.6 81 81 A K - 0 0 79 -36,-2.3 -1,-0.1 1,-0.1 -35,-0.1 -0.409 16.1-149.8 -64.0 135.5 12.9 9.5 4.7 82 82 A A 0 0 84 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.916 360.0 360.0 -73.6 -46.1 16.6 9.7 5.5 83 83 A G 0 0 110 -36,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.776 360.0 360.0 -69.8 360.0 17.5 6.1 4.5