==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 15-APR-09 3H31 . COMPND 2 MOLECULE: HIGH POTENTIAL IRON-SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOTHERMUS MARINUS; . AUTHOR M.STELTER,A.M.P.MELO,L.SARAIVA,M.TEIXEIRA,M.ARCHER . 74 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 45.9 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 . 9 12.2 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 1.4 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 . 3 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 0 0 0 0 0 1 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 . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 146 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 146.7 17.3 21.0 13.2 2 2 A E - 0 0 173 1,-0.1 2,-0.1 0, 0.0 46,-0.0 -0.339 360.0 -81.5 -74.4 151.5 13.9 22.4 12.7 3 3 A L - 0 0 48 44,-0.1 2,-0.3 46,-0.1 -1,-0.1 -0.437 49.3-166.4 -40.7 125.9 10.9 20.2 13.0 4 4 A T - 0 0 94 -2,-0.1 46,-0.2 -3,-0.1 3,-0.1 -0.956 16.0-170.5-126.6 148.5 10.3 18.1 9.8 5 5 A a + 0 0 1 -2,-0.3 56,-0.2 1,-0.1 -2,-0.0 -0.184 55.7 104.0-134.9 40.7 7.2 16.2 9.0 6 6 A T + 0 0 86 54,-0.1 2,-1.1 52,-0.1 -1,-0.1 0.321 39.9 117.5-109.8 6.3 8.1 14.2 5.9 7 7 A D + 0 0 107 1,-0.2 3,-0.3 -3,-0.1 -3,-0.0 -0.645 28.1 164.3 -80.4 101.1 8.6 10.7 7.5 8 8 A V > + 0 0 38 -2,-1.1 3,-2.1 1,-0.2 -1,-0.2 0.208 34.4 116.6-101.5 15.0 5.9 8.7 5.8 9 9 A S T 3 S+ 0 0 102 1,-0.3 -1,-0.2 7,-0.0 -2,-0.0 0.654 71.2 55.7 -65.3 -16.3 7.3 5.3 6.7 10 10 A G T 3 S+ 0 0 76 -3,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.366 94.3 91.2 -91.5 2.4 4.3 4.3 8.8 11 11 A L S < S- 0 0 33 -3,-2.1 2,-0.1 1,-0.1 -3,-0.0 -0.704 77.9-114.6-100.4 151.7 1.9 4.9 5.9 12 12 A T > - 0 0 78 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.366 35.7-106.5 -67.9 158.6 0.6 2.5 3.3 13 13 A A H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.902 121.9 52.7 -54.7 -43.3 1.5 3.2 -0.3 14 14 A E H > S+ 0 0 149 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.867 107.4 50.4 -65.4 -37.3 -2.0 4.4 -1.0 15 15 A E H > S+ 0 0 58 -3,-0.2 4,-2.0 2,-0.2 42,-0.2 0.903 111.1 49.1 -65.7 -38.7 -1.9 6.8 1.9 16 16 A I H X S+ 0 0 39 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.917 107.0 56.8 -63.6 -42.2 1.4 8.2 0.6 17 17 A Q H X S+ 0 0 117 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.890 105.9 50.2 -58.9 -37.4 -0.1 8.5 -2.8 18 18 A M H X S+ 0 0 91 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.947 109.2 50.5 -65.6 -45.5 -2.9 10.7 -1.4 19 19 A R H <>S+ 0 0 10 -4,-2.0 5,-2.4 1,-0.2 -2,-0.2 0.910 114.3 45.4 -56.1 -45.8 -0.4 13.0 0.3 20 20 A E H ><5S+ 0 0 135 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.877 107.3 56.3 -66.5 -40.2 1.5 13.3 -3.0 21 21 A S H 3<5S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.881 109.7 47.0 -64.9 -32.3 -1.5 13.9 -5.1 22 22 A L T 3<5S- 0 0 34 -4,-1.9 45,-2.7 -5,-0.2 -1,-0.3 0.331 114.1-121.5 -85.3 5.4 -2.4 16.9 -2.9 23 23 A Q T < 5 - 0 0 134 -3,-1.6 -3,-0.2 43,-0.2 -2,-0.1 0.896 35.3-163.4 57.7 44.7 1.1 18.1 -3.1 24 24 A Y < + 0 0 31 -5,-2.4 2,-0.3 -6,-0.1 42,-0.2 -0.403 14.5 173.8 -58.1 135.2 1.7 18.0 0.7 25 25 A T B -A 65 0A 46 40,-2.3 40,-2.0 36,-0.1 3,-0.2 -0.989 39.8-140.9-140.5 147.6 4.8 20.1 1.7 26 26 A D S S+ 0 0 9 -2,-0.3 2,-0.6 38,-0.2 37,-0.2 0.670 99.7 55.3 -69.8 -22.7 6.3 21.1 5.0 27 27 A H S S- 0 0 152 38,-0.1 37,-0.2 7,-0.0 -1,-0.2 -0.835 86.8-142.7-119.5 87.9 7.1 24.5 3.5 28 28 A S - 0 0 24 35,-2.5 6,-0.1 -2,-0.6 -4,-0.0 -0.250 5.0-144.0 -52.4 137.6 4.0 26.1 2.1 29 29 A P S S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.570 83.2 73.3 -72.1 -12.8 4.5 28.1 -1.1 30 30 A Y > - 0 0 97 3,-0.5 3,-1.1 1,-0.1 -2,-0.1 -0.888 69.7-150.7-114.5 129.1 2.0 30.7 0.1 31 31 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.846 99.3 39.4 -61.9 -29.1 2.6 33.1 2.9 32 32 A D T 3 S+ 0 0 104 1,-0.1 2,-0.4 5,-0.0 -4,-0.0 0.287 106.0 66.7-110.5 8.9 -1.1 33.2 3.9 33 33 A K < + 0 0 80 -3,-1.1 -3,-0.5 30,-0.1 2,-0.3 -0.920 58.9 139.3-135.7 106.7 -2.1 29.5 3.5 34 34 A T > - 0 0 29 -2,-0.4 3,-1.8 -5,-0.1 31,-0.2 -0.927 64.7-101.5-135.0 168.9 -0.6 27.0 5.9 35 35 A C G > S+ 0 0 14 29,-1.6 3,-2.1 26,-0.4 6,-0.4 0.893 118.7 65.0 -58.6 -36.9 -1.9 23.9 7.7 36 36 A A G 3 S+ 0 0 49 26,-2.4 -1,-0.3 1,-0.3 27,-0.1 0.699 107.9 39.7 -62.6 -19.7 -2.0 26.1 10.9 37 37 A N G < S+ 0 0 55 -3,-1.8 35,-2.2 25,-0.2 36,-0.4 0.159 97.2 105.1-114.1 25.6 -4.7 28.2 9.3 38 38 A C B X S-B 71 0B 12 -3,-2.1 3,-1.3 33,-0.2 33,-0.2 -0.793 72.6-131.2-103.0 141.2 -6.6 25.3 7.6 39 39 A Q T 3 S+ 0 0 121 31,-2.7 32,-0.1 -2,-0.3 -1,-0.1 0.700 104.7 53.4 -55.5 -31.3 -9.9 23.9 8.9 40 40 A L T 3 S+ 0 0 24 30,-0.2 14,-2.3 -5,-0.1 -1,-0.2 0.479 82.0 112.1 -97.4 2.7 -8.6 20.3 8.7 41 41 A Y E < -C 53 0C 26 -3,-1.3 12,-0.3 -6,-0.4 -5,-0.0 -0.454 47.9-160.5 -80.1 143.2 -5.4 20.7 10.8 42 42 A V E -C 52 0C 77 10,-2.9 10,-2.4 -2,-0.2 18,-0.1 -0.962 25.3-128.5-119.1 107.5 -5.0 19.1 14.2 43 43 A P - 0 0 87 0, 0.0 7,-0.1 0, 0.0 18,-0.0 -0.122 25.0-105.1 -58.9 156.3 -2.2 20.8 16.2 44 44 A A - 0 0 29 5,-0.2 7,-0.2 1,-0.1 6,-0.1 -0.171 22.0-114.8 -67.3 171.4 0.5 18.8 17.8 45 45 A E S S+ 0 0 172 5,-0.3 -1,-0.1 1,-0.2 6,-0.1 0.623 103.8 15.6 -81.7 -15.2 0.9 18.0 21.5 46 46 A S S > S- 0 0 42 3,-0.2 3,-1.8 4,-0.1 -1,-0.2 -0.928 80.0-118.6-150.2 148.5 4.0 20.1 21.6 47 47 A P T 3 S+ 0 0 116 0, 0.0 -44,-0.1 0, 0.0 4,-0.1 0.546 113.7 66.1 -66.5 -5.7 5.4 22.7 19.1 48 48 A D T 3 S+ 0 0 130 2,-0.1 2,-0.3 -46,-0.0 -3,-0.0 0.286 97.7 62.9 -97.6 9.1 8.4 20.4 18.8 49 49 A Q S < S- 0 0 107 -3,-1.8 -5,-0.2 -46,-0.1 -3,-0.2 -0.919 90.3 -98.0-127.2 158.6 6.3 17.6 17.2 50 50 A a - 0 0 32 -2,-0.3 -5,-0.3 -46,-0.2 11,-0.2 -0.403 32.4-141.2 -73.6 148.9 4.3 17.3 14.0 51 51 A G B -D 60 0D 11 9,-2.5 9,-1.9 -7,-0.2 2,-0.3 0.017 17.9-125.1 -84.9-160.7 0.6 17.9 14.0 52 52 A G E -C 42 0C 19 -10,-2.4 -10,-2.9 7,-0.2 2,-0.3 -0.845 7.8-131.4-143.8 180.0 -1.9 15.9 11.9 53 53 A C E -C 41 0C 34 3,-0.5 -12,-0.2 5,-0.3 5,-0.1 -0.990 14.1-139.2-143.0 142.9 -4.7 16.4 9.4 54 54 A Q S S+ 0 0 151 -14,-2.3 -13,-0.1 -2,-0.3 3,-0.1 0.651 105.2 41.2 -72.6 -19.6 -8.2 15.1 9.1 55 55 A L S S+ 0 0 72 1,-0.2 2,-0.4 -15,-0.2 -1,-0.1 0.837 116.2 34.3-100.8 -51.3 -7.7 14.6 5.3 56 56 A I S S- 0 0 4 2,-0.1 -3,-0.5 -38,-0.0 -1,-0.2 -0.849 78.6-124.6-118.0 150.4 -4.3 13.1 4.8 57 57 A K + 0 0 124 -2,-0.4 -46,-0.1 -42,-0.2 -3,-0.1 -0.378 62.4 38.6 -86.5 163.7 -2.5 10.7 7.0 58 58 A G S S- 0 0 29 -2,-0.1 -5,-0.3 -5,-0.1 2,-0.1 -0.301 99.0 -22.0 92.6-175.5 0.9 10.9 8.7 59 59 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.442 58.9-164.2 -70.6 145.3 2.9 13.8 10.3 60 60 A I B -D 51 0D 2 -9,-1.9 -9,-2.5 -18,-0.1 -16,-0.1 -0.994 12.0-138.2-138.1 126.3 1.9 17.3 9.2 61 61 A H > - 0 0 21 -2,-0.4 3,-2.4 -11,-0.2 -26,-0.4 -0.700 14.9-134.3 -86.2 137.7 3.9 20.5 9.8 62 62 A P T 3 S+ 0 0 36 0, 0.0 -26,-2.4 0, 0.0 -25,-0.2 0.762 109.6 51.7 -61.0 -25.1 2.0 23.6 10.9 63 63 A N T 3 S+ 0 0 97 -37,-0.2 -35,-2.5 -28,-0.2 -30,-0.1 0.330 97.6 98.9 -87.5 4.1 3.9 25.6 8.2 64 64 A G < - 0 0 0 -3,-2.4 -29,-1.6 -37,-0.2 2,-0.3 0.065 53.3-160.3 -83.7-170.3 3.0 23.1 5.5 65 65 A Y B -A 25 0A 25 -40,-2.0 -40,-2.3 -31,-0.2 2,-0.3 -0.963 12.7-171.2-164.9 152.6 0.3 23.0 2.8 66 66 A C > - 0 0 14 -2,-0.3 3,-2.0 -42,-0.2 -43,-0.2 -0.948 42.8-105.8-141.6 165.8 -1.6 20.8 0.5 67 67 A T T 3 S+ 0 0 66 -45,-2.7 -44,-0.1 -2,-0.3 -45,-0.0 0.617 114.8 66.1 -71.5 -9.1 -4.0 21.8 -2.4 68 68 A S T 3 S+ 0 0 49 -46,-0.2 -1,-0.3 2,-0.1 -46,-0.0 0.404 70.5 152.2 -89.0 6.5 -7.0 20.9 -0.3 69 69 A W < - 0 0 39 -3,-2.0 2,-0.5 1,-0.1 -34,-0.1 -0.006 32.8-154.9 -38.5 127.6 -6.3 23.7 2.2 70 70 A V - 0 0 50 -35,-0.1 -31,-2.7 0, 0.0 -30,-0.2 -0.944 20.7-119.4-115.2 109.1 -9.7 24.8 3.7 71 71 A Q B -B 38 0B 113 -2,-0.5 -33,-0.2 -33,-0.2 -38,-0.1 -0.273 20.7-167.7 -56.4 129.3 -9.6 28.4 4.9 72 72 A K + 0 0 116 -35,-2.2 -1,-0.2 2,-0.1 -34,-0.1 0.851 60.4 101.9 -73.2 -39.7 -10.3 29.0 8.7 73 73 A A 0 0 62 -36,-0.4 -34,-0.0 1,-0.1 -2,-0.0 -0.320 360.0 360.0 -57.5 132.3 -10.6 32.8 8.2 74 74 A T 0 0 202 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.272 360.0 360.0 -66.8 360.0 -14.2 34.1 8.2