==== 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 TRANSFER (IRON-SULFUR PROTEIN) 17-JAN-95 1HRQ . COMPND 2 MOLECULE: HIGH POTENTIAL IRON SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALLOCHROMATIUM VINOSUM; . AUTHOR L.BANCI,I.BERTINI,A.DIKIY,D.H.W.KASTRAU,C.LUCHINAT, . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 51.8 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 . 14 16.5 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 . 3 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 9.4 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 . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.8 -7.7 -9.7 -12.5 2 2 A A - 0 0 60 1,-0.1 4,-0.1 2,-0.0 2,-0.0 -0.470 360.0-107.5 -64.9 143.5 -5.1 -7.1 -11.4 3 3 A P > - 0 0 29 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.328 15.3-121.6 -67.2 157.7 -5.6 -3.8 -13.1 4 4 A A T 3 S+ 0 0 110 1,-0.3 2,-1.5 65,-0.0 -2,-0.0 0.948 116.9 57.4 -61.1 -45.5 -3.3 -2.6 -15.9 5 5 A N T 3 S+ 0 0 72 64,-0.1 65,-1.7 63,-0.1 2,-0.3 -0.381 80.6 135.6 -84.0 56.2 -2.7 0.4 -13.6 6 6 A A B < -a 70 0A 21 -2,-1.5 2,-0.4 -3,-0.7 65,-0.2 -0.793 66.9-105.0 -88.3 146.5 -1.6 -1.8 -10.8 7 7 A V - 0 0 1 63,-2.7 2,-0.3 -2,-0.3 65,-0.1 -0.648 37.6-132.2 -67.3 126.0 1.5 -0.7 -8.8 8 8 A A > - 0 0 39 -2,-0.4 3,-1.9 1,-0.1 6,-0.3 -0.649 4.4-135.4 -80.8 137.6 4.3 -3.0 -10.0 9 9 A A T 3 S+ 0 0 57 -2,-0.3 10,-0.2 1,-0.3 -1,-0.1 0.850 110.0 48.8 -58.6 -35.6 6.4 -4.5 -7.2 10 10 A D T 3 S+ 0 0 125 4,-0.1 -1,-0.3 5,-0.1 -2,-0.0 0.199 80.4 129.0 -92.6 11.6 9.5 -3.6 -9.3 11 11 A D S <> S- 0 0 25 -3,-1.9 4,-2.8 1,-0.1 5,-0.2 -0.391 70.2-124.1 -56.9 147.8 8.4 -0.0 -10.0 12 12 A A H > S+ 0 0 75 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.937 118.4 50.1 -60.9 -42.0 11.3 2.3 -9.1 13 13 A T H > S+ 0 0 53 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.924 110.5 48.8 -55.7 -49.4 8.7 3.9 -6.7 14 14 A A H >>S+ 0 0 1 -6,-0.3 5,-2.1 2,-0.2 4,-1.4 0.873 110.4 50.4 -65.9 -37.0 7.8 0.5 -5.3 15 15 A I H <5S+ 0 0 106 -4,-2.8 3,-0.4 2,-0.2 -2,-0.2 0.965 114.7 43.8 -62.1 -53.4 11.5 -0.4 -4.8 16 16 A A H <5S+ 0 0 74 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.918 120.9 40.8 -55.5 -48.5 12.1 2.9 -3.0 17 17 A L H <5S- 0 0 28 -4,-3.1 61,-3.3 -5,-0.2 62,-0.3 0.651 102.0-132.8 -73.6 -18.0 8.8 2.5 -1.0 18 18 A K T <5 - 0 0 98 -4,-1.4 2,-0.3 -3,-0.4 9,-0.3 0.895 40.9-179.3 54.3 42.0 9.4 -1.2 -0.5 19 19 A Y < + 0 0 8 -5,-2.1 2,-0.3 -6,-0.2 58,-0.3 -0.564 7.3 172.9 -70.7 132.0 5.8 -1.6 -1.5 20 20 A N B -B 76 0B 45 56,-2.8 56,-2.5 -2,-0.3 6,-0.1 -0.986 32.6-157.4-141.7 135.3 4.6 -5.2 -1.5 21 21 A Q S S+ 0 0 71 -2,-0.3 2,-1.8 54,-0.3 -1,-0.1 0.874 87.4 78.1 -66.7 -45.8 1.1 -6.6 -2.1 22 22 A D > - 0 0 72 1,-0.2 4,-2.3 2,-0.1 3,-0.2 -0.529 62.8-179.9 -69.5 85.9 2.1 -9.8 -0.2 23 23 A A T 4 S+ 0 0 13 -2,-1.8 6,-0.3 1,-0.2 -1,-0.2 0.701 79.6 58.4 -64.9 -21.9 1.8 -8.3 3.3 24 24 A T T 4 S+ 0 0 130 1,-0.1 -1,-0.2 -3,-0.1 5,-0.1 0.900 113.3 37.7 -71.0 -42.2 2.9 -11.6 4.8 25 25 A K T 4 S+ 0 0 156 -3,-0.2 -2,-0.2 3,-0.0 -1,-0.1 0.773 98.9 112.3 -73.7 -32.0 6.2 -11.4 2.8 26 26 A S S >< S- 0 0 9 -4,-2.3 3,-0.8 1,-0.1 4,-0.3 -0.009 79.5-120.9 -44.9 148.4 6.4 -7.6 3.4 27 27 A E T >> S+ 0 0 91 -9,-0.3 4,-3.1 1,-0.2 3,-0.6 0.519 87.5 105.5 -64.4 -7.8 9.1 -6.1 5.5 28 28 A R H 3> S+ 0 0 21 1,-0.3 4,-2.8 2,-0.2 5,-0.4 0.851 80.0 45.6 -48.4 -46.4 6.3 -4.6 7.7 29 29 A V H <4 S+ 0 0 91 -3,-0.8 -1,-0.3 -6,-0.3 -2,-0.1 0.871 117.4 45.1 -63.5 -39.4 6.9 -7.2 10.6 30 30 A A H <4 S+ 0 0 90 -3,-0.6 -2,-0.2 -4,-0.3 -1,-0.2 0.909 118.3 42.7 -68.1 -44.8 10.7 -6.6 10.3 31 31 A A H < S- 0 0 53 -4,-3.1 -2,-0.2 2,-0.0 -3,-0.2 0.820 84.6-167.7 -71.8 -37.9 10.2 -2.8 10.2 32 32 A A < - 0 0 56 -4,-2.8 -3,-0.1 -5,-0.3 -4,-0.1 0.879 12.9-157.9 44.0 57.1 7.5 -2.7 12.9 33 33 A R - 0 0 87 -5,-0.4 3,-0.5 1,-0.1 -1,-0.1 -0.292 21.5-103.9 -58.6 143.8 6.5 0.9 12.2 34 34 A P S S+ 0 0 122 0, 0.0 48,-0.3 0, 0.0 -1,-0.1 -0.382 93.1 66.7 -66.6 149.6 4.8 2.7 15.1 35 35 A G S S- 0 0 45 46,-0.1 46,-0.0 -3,-0.1 -2,-0.0 -0.530 108.5 -7.1 140.8 -66.7 1.0 3.1 14.8 36 36 A L S S- 0 0 73 -3,-0.5 5,-0.1 -2,-0.1 46,-0.0 -0.934 94.9 -66.0-154.6 158.7 -0.6 -0.4 15.0 37 37 A P >> - 0 0 78 0, 0.0 3,-1.8 0, 0.0 4,-1.1 -0.192 49.9-114.6 -55.5 144.4 0.9 -3.9 15.1 38 38 A P G >4 S+ 0 0 31 0, 0.0 3,-1.0 0, 0.0 -9,-0.1 0.868 115.6 61.8 -51.8 -42.2 2.7 -4.9 11.8 39 39 A E G 34 S+ 0 0 143 1,-0.3 -10,-0.1 -11,-0.1 -11,-0.0 0.831 107.4 45.4 -52.3 -35.0 0.1 -7.6 11.1 40 40 A E G <4 S+ 0 0 99 -3,-1.8 2,-0.3 5,-0.0 -1,-0.3 0.743 91.6 103.0 -76.2 -28.3 -2.5 -4.8 11.0 41 41 A Q << + 0 0 0 -4,-1.1 2,-0.3 -3,-1.0 -13,-0.1 -0.443 43.0 120.2 -70.1 123.8 -0.5 -2.5 8.8 42 42 A H S > S- 0 0 41 -2,-0.3 3,-2.6 39,-0.1 34,-0.3 -0.943 77.7 -88.4-165.6 167.5 -1.4 -2.3 5.1 43 43 A C G > S+ 0 0 7 32,-2.6 3,-2.8 29,-0.4 6,-0.3 0.867 119.7 72.6 -46.6 -40.7 -2.7 0.3 2.5 44 44 A A G 3 S+ 0 0 50 29,-3.0 -1,-0.3 31,-0.3 30,-0.1 0.771 112.2 25.8 -40.4 -41.0 -6.2 -0.6 3.7 45 45 A N G < S+ 0 0 22 -3,-2.6 38,-2.4 28,-0.2 2,-0.5 -0.083 96.7 124.9-120.2 32.3 -5.4 1.3 7.0 46 46 A C B X -C 82 0C 12 -3,-2.8 3,-2.2 36,-0.2 36,-0.2 -0.821 62.0-137.1 -96.5 128.6 -2.8 3.7 5.5 47 47 A Q T 3 S+ 0 0 88 34,-3.1 -1,-0.1 -2,-0.5 35,-0.1 0.729 103.8 53.0 -46.1 -33.9 -3.3 7.4 6.0 48 48 A F T 3 S+ 0 0 43 33,-0.3 16,-2.7 31,-0.1 -1,-0.3 0.294 77.7 123.0 -98.0 7.3 -2.3 8.0 2.3 49 49 A M E < -D 63 0D 48 -3,-2.2 2,-0.4 -6,-0.3 14,-0.3 -0.442 46.4-156.7 -69.5 146.1 -4.7 5.5 0.6 50 50 A Q E > +D 62 0D 56 12,-2.7 12,-2.7 1,-0.1 3,-1.0 -0.847 22.4 166.7-127.7 87.6 -6.9 7.0 -2.1 51 51 A A T 3 S+ 0 0 58 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.656 76.9 68.9 -78.4 -15.8 -10.0 4.8 -2.5 52 52 A D T 3 S+ 0 0 134 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.639 75.0 130.7 -63.6 -22.4 -11.6 7.7 -4.5 53 53 A A S X S- 0 0 20 -3,-1.0 3,-2.5 1,-0.1 17,-0.0 -0.067 71.2-102.5 -49.2 129.4 -8.9 6.9 -7.2 54 54 A A T 3 S+ 0 0 98 1,-0.3 -1,-0.1 7,-0.0 -2,-0.1 -0.265 109.1 19.7 -52.0 127.1 -10.4 6.6 -10.7 55 55 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.461 86.0 157.7 84.9 4.2 -10.6 2.9 -11.6 56 56 A A < + 0 0 36 -3,-2.5 -1,-0.3 -4,-0.1 5,-0.2 -0.287 15.0 171.0 -56.2 146.2 -10.5 1.7 -8.0 57 57 A T B > -E 60 0D 62 3,-2.9 3,-1.2 -54,-0.0 -1,-0.0 -0.744 44.4 -49.3-152.1-172.6 -12.0 -1.8 -7.5 58 58 A D T 3 S+ 0 0 126 1,-0.3 -2,-0.0 -2,-0.2 15,-0.0 0.812 130.7 4.0 -43.6 -64.5 -12.5 -4.6 -5.0 59 59 A E T 3 S+ 0 0 89 1,-0.1 14,-2.3 13,-0.1 2,-0.5 0.262 120.2 84.1-101.1 6.4 -8.9 -5.1 -3.7 60 60 A W E < +EF 57 72D 26 -3,-1.2 -3,-2.9 12,-0.3 12,-0.2 -0.944 46.1 148.3-133.1 110.4 -7.4 -2.2 -5.6 61 61 A K E - F 0 71D 46 10,-1.5 10,-1.7 -2,-0.5 -10,-0.2 -0.669 42.2 -93.6-128.8 179.7 -7.3 1.4 -4.6 62 62 A G E -D 50 0D 1 -12,-2.7 -12,-2.7 8,-0.3 2,-0.3 -0.425 24.4-152.3 -92.6 171.5 -4.9 4.4 -5.1 63 63 A C E > -DF 49 66D 5 3,-0.8 3,-1.9 6,-0.4 -14,-0.2 -0.982 23.2-126.4-143.9 138.7 -2.1 5.7 -2.8 64 64 A Q T 3 S+ 0 0 101 -16,-2.7 -15,-0.1 -2,-0.3 -1,-0.1 0.879 114.7 48.9 -50.5 -43.9 -0.9 9.4 -2.7 65 65 A L T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -17,-0.2 -48,-0.1 0.582 111.8 53.7 -74.2 -10.8 2.7 8.3 -3.3 66 66 A F E < S-F 63 0D 4 -3,-1.9 -3,-0.8 3,-0.1 -1,-0.2 -0.662 76.8-177.1-126.2 72.5 1.4 6.1 -6.3 67 67 A P E + 0 0 100 0, 0.0 2,-1.9 0, 0.0 3,-0.1 -0.356 68.4 9.9 -71.2 150.7 -0.6 8.4 -8.6 68 68 A G E S+ 0 0 73 1,-0.1 2,-0.1 -2,-0.0 -63,-0.1 -0.191 117.0 79.9 78.1 -46.4 -2.2 7.0 -11.7 69 69 A K E S- 0 0 77 -2,-1.9 2,-0.4 -6,-0.1 -6,-0.4 -0.369 77.4-127.6 -82.2 168.4 -1.5 3.4 -10.6 70 70 A L E -a 6 0A 2 -65,-1.7 -63,-2.7 -8,-0.2 -8,-0.3 -0.980 12.3-149.7-119.1 129.2 -3.5 1.4 -7.9 71 71 A I E -F 61 0D 0 -10,-1.7 -10,-1.5 -2,-0.4 2,-0.5 -0.455 29.6-107.7 -77.0 165.5 -2.0 -0.3 -4.9 72 72 A N E > -F 60 0D 15 -12,-0.2 3,-2.1 -2,-0.1 -29,-0.4 -0.894 22.6-133.1 -92.7 131.4 -3.6 -3.4 -3.5 73 73 A V T 3 S+ 0 0 18 -14,-2.3 -29,-3.0 -2,-0.5 -28,-0.2 0.807 106.7 57.0 -51.1 -37.4 -5.4 -2.6 -0.2 74 74 A N T 3 S+ 0 0 71 -15,-0.4 -1,-0.3 -31,-0.2 -51,-0.1 0.731 94.5 89.5 -66.9 -25.7 -3.8 -5.7 1.4 75 75 A G < - 0 0 0 -3,-2.1 -32,-2.6 -33,-0.1 -31,-0.3 0.081 60.7-153.2 -69.8 179.6 -0.3 -4.5 0.5 76 76 A W B -B 20 0B 1 -56,-2.5 -56,-2.8 -34,-0.3 2,-0.3 -0.973 6.7-165.8-149.3 153.4 2.1 -2.3 2.6 77 77 A C > - 0 0 8 -2,-0.3 3,-2.4 -58,-0.3 -59,-0.2 -0.924 39.8-105.2-135.5 164.3 5.0 0.1 1.9 78 78 A A T 3 S+ 0 0 36 -61,-3.3 -60,-0.1 1,-0.3 -61,-0.1 0.792 119.9 61.5 -55.3 -32.8 7.7 1.6 4.2 79 79 A S T 3 S+ 0 0 32 -62,-0.3 -1,-0.3 2,-0.1 -31,-0.1 0.488 73.8 141.1 -74.3 -3.9 5.7 4.9 4.1 80 80 A W < - 0 0 2 -3,-2.4 2,-0.4 -34,-0.1 -34,-0.1 -0.130 28.2-178.1 -43.4 126.7 2.7 3.2 5.8 81 81 A T - 0 0 34 -39,-0.1 -34,-3.1 -38,-0.1 -33,-0.3 -0.992 35.5 -93.3-136.3 135.1 1.2 5.7 8.2 82 82 A L B -C 46 0C 61 -2,-0.4 2,-0.2 -48,-0.3 -36,-0.2 -0.298 49.0 -97.9 -59.4 127.1 -1.7 4.9 10.5 83 83 A K + 0 0 134 -38,-2.4 -1,-0.2 1,-0.1 -37,-0.1 -0.239 52.9 170.2 -36.3 104.3 -5.2 5.9 9.0 84 84 A A 0 0 57 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 0.166 360.0 360.0 -88.6-144.2 -6.0 9.3 10.6 85 85 A G 0 0 147 -2,-0.0 -38,-0.0 0, 0.0 0, 0.0 -0.876 360.0 360.0 173.4 360.0 -9.0 11.4 9.3