==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER (IRON-SULFUR PROTEIN) 14-DEC-95 1NEH . COMPND 2 MOLECULE: HIGH POTENTIAL IRON SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALLOCHROMATIUM VINOSUM; . AUTHOR I.BERTINI,A.DIKIY,D.H.W.KASTRAU,C.LUCHINAT,P.SOMPORNPISUT . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 57.6 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 . 10 11.8 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 . 2 2.4 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 . 10 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.4 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 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 2 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 . 2 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 S 0 0 166 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.7 -6.8 -10.4 -11.3 2 2 A A - 0 0 52 1,-0.1 2,-0.1 2,-0.1 70,-0.0 -0.437 360.0-108.1 -67.1 147.5 -4.7 -7.4 -10.6 3 3 A P > - 0 0 33 0, 0.0 3,-2.1 0, 0.0 67,-0.1 -0.304 27.6-103.9 -76.7 166.2 -5.6 -4.4 -12.8 4 4 A A T 3 S+ 0 0 116 1,-0.3 -2,-0.1 -2,-0.1 65,-0.0 0.853 122.9 47.8 -58.9 -38.9 -3.3 -3.2 -15.7 5 5 A N T 3 S+ 0 0 57 63,-0.1 65,-2.7 2,-0.1 -1,-0.3 0.005 80.9 141.8 -93.6 25.9 -2.2 -0.2 -13.6 6 6 A A B < -a 70 0A 23 -3,-2.1 2,-0.6 63,-0.2 65,-0.2 -0.463 64.6-106.9 -58.4 138.0 -1.5 -2.3 -10.5 7 7 A V - 0 0 0 63,-3.0 65,-0.2 -2,-0.1 2,-0.2 -0.627 41.5-138.0 -66.1 115.2 1.7 -1.1 -8.7 8 8 A A > - 0 0 48 -2,-0.6 3,-1.8 1,-0.1 6,-0.2 -0.508 13.8-125.7 -74.5 146.6 4.2 -3.8 -9.5 9 9 A A T 3 S+ 0 0 55 1,-0.3 -1,-0.1 -2,-0.2 9,-0.1 0.754 117.0 52.5 -54.8 -25.9 6.6 -5.2 -6.9 10 10 A D T 3 S+ 0 0 136 4,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.386 79.9 127.7 -94.3 -2.4 9.3 -4.3 -9.5 11 11 A D <> - 0 0 21 -3,-1.8 4,-2.9 1,-0.1 5,-0.2 -0.352 67.2-126.5 -61.2 136.0 8.0 -0.7 -9.9 12 12 A A H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.868 112.2 41.5 -52.8 -42.7 10.9 1.9 -9.4 13 13 A T H > S+ 0 0 63 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.923 112.0 54.4 -72.9 -42.3 8.9 3.7 -6.7 14 14 A A H >>S+ 0 0 1 1,-0.2 5,-2.1 2,-0.2 4,-1.7 0.904 107.7 52.0 -55.8 -37.6 7.7 0.4 -5.1 15 15 A I H <5S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.835 112.7 44.6 -66.8 -37.8 11.4 -0.5 -4.9 16 16 A A H <5S+ 0 0 74 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.850 120.6 40.1 -70.3 -37.4 12.1 2.8 -3.2 17 17 A L H <5S- 0 0 24 -4,-2.9 61,-2.9 -5,-0.1 62,-0.4 0.592 105.3-124.4 -90.1 -13.8 9.0 2.4 -0.9 18 18 A K T <5 + 0 0 83 -4,-1.7 9,-0.4 -5,-0.3 -3,-0.2 0.882 46.6 176.8 59.0 43.7 9.4 -1.3 -0.2 19 19 A Y < + 0 0 10 -5,-2.1 2,-0.3 58,-0.2 58,-0.3 -0.510 7.8 174.0 -64.5 140.5 5.9 -1.8 -1.5 20 20 A N B -B 76 0B 41 56,-2.6 56,-2.5 -2,-0.2 6,-0.1 -0.906 36.1-147.0-148.9 132.2 4.6 -5.4 -1.7 21 21 A Q S S+ 0 0 77 -2,-0.3 2,-2.0 54,-0.3 3,-0.2 0.893 103.6 65.6 -45.5 -48.2 1.2 -6.8 -2.5 22 22 A D > + 0 0 48 1,-0.2 3,-0.6 3,-0.2 -1,-0.3 -0.560 68.4 174.3 -79.9 73.9 2.1 -9.5 -0.1 23 23 A A G > >S+ 0 0 0 -2,-2.0 3,-1.5 51,-0.7 5,-0.5 0.842 78.3 61.8 -45.2 -40.6 2.2 -7.1 2.9 24 24 A T G 3 5S+ 0 0 104 1,-0.3 2,-0.3 50,-0.3 5,-0.3 0.931 108.5 41.0 -53.8 -47.6 2.8 -10.3 5.0 25 25 A K G < 5S+ 0 0 154 -3,-0.6 -1,-0.3 2,-0.1 2,-0.2 -0.346 102.7 96.6 -99.4 49.1 6.1 -10.9 3.0 26 26 A S T < 5S- 0 0 23 -3,-1.5 2,-0.7 -2,-0.3 3,-0.5 -0.757 98.9 -86.5-117.3 179.5 7.0 -7.2 3.1 27 27 A E T >5S+ 0 0 92 -9,-0.4 4,-2.3 -2,-0.2 5,-0.2 0.073 91.6 116.6 -75.0 29.1 9.3 -5.3 5.5 28 28 A R H > - 0 0 106 -5,-0.5 3,-0.5 1,-0.1 -1,-0.2 -0.368 17.4-116.4 -63.4 135.9 6.3 1.0 12.4 34 34 A P T 3 S+ 0 0 115 0, 0.0 48,-0.4 0, 0.0 47,-0.1 -0.191 83.4 63.7 -73.5 166.2 4.2 2.1 15.4 35 35 A G T 3 S+ 0 0 63 46,-0.1 -2,-0.0 6,-0.0 0, 0.0 -0.294 108.3 18.3 120.6 -44.1 0.4 2.9 15.5 36 36 A L S < S- 0 0 49 -3,-0.5 5,-0.1 46,-0.0 45,-0.1 -0.967 95.5 -85.3-153.6 145.6 -1.1 -0.5 14.7 37 37 A P > - 0 0 69 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.289 38.9-119.0 -56.4 142.9 0.3 -4.1 14.8 38 38 A P T 4 S+ 0 0 27 0, 0.0 -9,-0.1 0, 0.0 -10,-0.0 0.881 113.4 62.2 -47.2 -45.4 2.2 -5.0 11.6 39 39 A E T 4 S+ 0 0 149 1,-0.3 -11,-0.0 -11,-0.1 -10,-0.0 0.928 110.6 37.9 -47.6 -53.7 -0.3 -7.9 11.0 40 40 A E T 4 S+ 0 0 94 -3,-0.4 -1,-0.3 2,-0.0 2,-0.1 0.773 95.7 105.1 -67.6 -33.9 -3.1 -5.3 10.7 41 41 A Q < + 0 0 0 -4,-2.0 2,-0.3 -8,-0.1 -13,-0.1 -0.350 41.4 131.0 -57.4 126.1 -1.0 -2.7 8.8 42 42 A H S > S- 0 0 34 -2,-0.1 3,-2.3 1,-0.1 34,-0.3 -0.941 75.2 -89.5-154.3 173.3 -1.7 -2.5 5.1 43 43 A C G > S+ 0 0 9 32,-3.1 3,-2.6 29,-0.4 31,-0.2 0.882 120.7 75.5 -47.9 -40.4 -2.4 0.2 2.4 44 44 A A G 3 S+ 0 0 56 29,-3.0 -1,-0.3 31,-0.3 30,-0.1 0.741 110.6 24.5 -41.2 -35.7 -6.0 -0.4 3.5 45 45 A N G < S+ 0 0 34 -3,-2.3 38,-0.8 28,-0.3 -1,-0.3 -0.039 96.0 127.1-127.2 30.4 -5.2 1.6 6.7 46 46 A C B < -C 82 0C 12 -3,-2.6 3,-0.3 36,-0.2 36,-0.2 -0.595 57.1-141.3 -83.0 145.5 -2.3 3.7 5.4 47 47 A Q S S+ 0 0 85 34,-2.3 2,-2.2 33,-0.7 -1,-0.1 0.940 100.7 60.6 -66.8 -51.0 -2.4 7.5 5.8 48 48 A F S S+ 0 0 76 32,-0.8 16,-1.9 31,-0.3 17,-0.7 -0.404 88.6 119.8 -79.5 63.4 -0.9 8.0 2.4 49 49 A M E -D 63 0D 45 -2,-2.2 14,-0.3 14,-0.3 2,-0.3 -0.826 49.2-152.1-128.9 157.5 -3.9 6.3 0.7 50 50 A Q E +D 62 0D 28 12,-2.8 12,-2.3 -2,-0.3 2,-1.0 -0.770 24.8 171.2-139.4 103.3 -6.6 7.1 -1.9 51 51 A A S S+ 0 0 76 -2,-0.3 12,-0.0 10,-0.2 10,-0.0 -0.465 80.2 86.4 -83.8 58.2 -10.0 5.6 -2.2 52 52 A D + 0 0 138 -2,-1.0 2,-0.4 11,-0.0 -1,-0.2 -0.345 61.4 127.0-155.0 44.2 -10.1 8.5 -4.7 53 53 A A > - 0 0 24 -3,-0.2 3,-1.9 9,-0.1 2,-0.6 -0.950 65.3-113.0-119.3 137.5 -8.7 6.8 -7.8 54 54 A A T 3 S+ 0 0 100 -2,-0.4 -2,-0.0 1,-0.3 7,-0.0 -0.561 108.5 14.8 -68.7 110.6 -10.0 6.7 -11.3 55 55 A G T 3 S+ 0 0 58 -2,-0.6 -1,-0.3 1,-0.2 5,-0.1 0.675 84.0 172.3 88.7 25.5 -10.9 3.0 -11.8 56 56 A A < - 0 0 43 -3,-1.9 -1,-0.2 1,-0.1 5,-0.2 -0.393 8.9-173.3 -52.9 136.6 -10.7 2.0 -8.2 57 57 A T - 0 0 75 3,-3.1 -1,-0.1 1,-0.1 4,-0.1 0.479 38.7-100.4 -97.3-115.4 -11.9 -1.7 -7.8 58 58 A D S S+ 0 0 117 3,-0.1 15,-0.1 0, 0.0 -1,-0.1 0.366 117.9 35.8-132.8 -51.7 -12.2 -2.9 -4.3 59 59 A E S S+ 0 0 89 1,-0.1 14,-3.0 13,-0.1 2,-0.5 0.804 120.9 56.6 -65.9 -31.2 -9.1 -5.0 -3.6 60 60 A W E S+E 72 0E 20 12,-0.2 -3,-3.1 13,-0.1 12,-0.2 -0.942 71.4 152.3-110.1 116.4 -7.2 -2.5 -5.8 61 61 A K E -E 71 0E 34 10,-2.4 10,-2.4 -2,-0.5 -10,-0.2 -0.668 44.0 -81.3-127.9 179.2 -7.4 1.2 -4.7 62 62 A G E -D 50 0D 0 -12,-2.3 -12,-2.8 8,-0.3 2,-0.3 -0.523 28.3-144.7 -87.0 158.3 -5.1 4.3 -5.0 63 63 A C E -D 49 0D 7 3,-1.2 -14,-0.3 6,-0.3 6,-0.1 -0.828 19.4-130.2-106.4 154.7 -2.1 5.3 -2.9 64 64 A Q S S+ 0 0 101 -16,-1.9 -15,-0.2 -2,-0.3 -1,-0.1 0.917 115.0 44.3 -68.6 -41.4 -1.4 9.0 -2.2 65 65 A L S S+ 0 0 70 -17,-0.7 -1,-0.2 1,-0.3 -16,-0.1 0.710 115.2 52.7 -74.2 -23.3 2.2 8.4 -3.3 66 66 A F S S+ 0 0 9 3,-0.1 -3,-1.2 2,-0.0 -1,-0.3 -0.693 71.1 174.3-115.1 77.6 0.9 6.4 -6.4 67 67 A P S S+ 0 0 87 0, 0.0 2,-2.3 0, 0.0 3,-0.1 -0.395 72.1 19.0 -66.2 158.5 -1.6 8.5 -8.2 68 68 A G S S+ 0 0 66 1,-0.1 -63,-0.1 -2,-0.1 2,-0.1 -0.216 115.5 77.3 75.7 -51.8 -2.8 7.0 -11.5 69 69 A K S S- 0 0 89 -2,-2.3 2,-0.4 -6,-0.1 -6,-0.3 -0.250 79.2-125.1 -78.8 176.1 -1.6 3.5 -10.5 70 70 A L B -a 6 0A 1 -65,-2.7 -63,-3.0 -8,-0.2 2,-0.3 -0.994 13.8-155.3-130.6 128.2 -3.5 1.1 -8.1 71 71 A I E -E 61 0E 1 -10,-2.4 -10,-2.4 -2,-0.4 2,-0.5 -0.708 30.0-108.7 -94.2 150.1 -2.1 -0.5 -4.9 72 72 A N E > -E 60 0E 15 -2,-0.3 3,-2.1 -12,-0.2 -29,-0.4 -0.724 23.8-138.9 -73.8 128.3 -3.5 -3.7 -3.4 73 73 A V T 3 S+ 0 0 18 -14,-3.0 -29,-3.0 -2,-0.5 -28,-0.3 0.851 104.0 50.9 -56.8 -38.1 -5.4 -2.7 -0.2 74 74 A N T 3 S+ 0 0 77 -15,-0.3 -51,-0.7 -31,-0.2 -1,-0.3 0.332 99.2 86.1 -86.7 8.6 -4.0 -5.8 1.6 75 75 A G < - 0 0 0 -3,-2.1 -32,-3.1 -53,-0.2 -31,-0.3 -0.374 65.9-150.5 -98.3 176.9 -0.4 -4.9 0.5 76 76 A W B -B 20 0B 0 -56,-2.5 -56,-2.6 -34,-0.3 2,-0.3 -0.988 12.7-163.7-149.6 153.0 2.0 -2.5 2.3 77 77 A C - 0 0 6 -2,-0.3 -59,-0.2 -58,-0.3 -58,-0.2 -0.937 38.7-108.8-134.1 156.8 4.9 -0.1 1.8 78 78 A A S S+ 0 0 24 -61,-2.9 2,-2.4 -2,-0.3 3,-0.2 0.854 113.6 68.8 -50.2 -42.8 7.4 1.4 4.3 79 79 A S S S+ 0 0 39 -62,-0.4 -31,-0.3 1,-0.1 -1,-0.3 -0.368 73.6 123.3 -75.6 59.5 5.7 4.8 4.0 80 80 A W + 0 0 1 -2,-2.4 -32,-0.8 -34,-0.1 -33,-0.7 0.819 29.0 164.4 -83.7 -96.9 2.6 3.4 5.8 81 81 A T - 0 0 57 -35,-0.2 -34,-2.3 -3,-0.2 -33,-0.2 0.583 47.8 -88.1 73.4 126.7 1.6 5.3 8.9 82 82 A L B -C 46 0C 61 -48,-0.4 -36,-0.2 -36,-0.2 2,-0.1 -0.151 54.3 -80.5 -55.0 157.4 -1.9 4.7 10.4 83 83 A K - 0 0 119 -38,-0.8 2,-0.7 -37,-0.1 -1,-0.1 -0.389 32.6-154.0 -58.1 127.1 -5.0 6.6 9.2 84 84 A A 0 0 86 1,-0.2 -1,-0.1 -2,-0.1 -38,-0.0 -0.754 360.0 360.0-106.6 75.2 -5.2 10.0 10.9 85 85 A G 0 0 100 -2,-0.7 -1,-0.2 0, 0.0 -2,-0.1 0.158 360.0 360.0 150.4 360.0 -9.0 10.3 10.6