==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER (IRON-SULFUR PROTEIN) 01-APR-75 1HIP . COMPND 2 MOLECULE: HIGH POTENTIAL IRON PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALLOCHROMATIUM VINOSUM; . AUTHOR C.W.CARTERJUNIOR,J.KRAUT,S.T.FREER,N.-H.XUONG,R.A.ALDEN, . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 50.6 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 . 11 12.9 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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 7.1 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 . 2 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 0 171 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.7 18.3 10.9 31.6 2 2 A A - 0 0 50 1,-0.1 4,-0.1 2,-0.1 58,-0.0 -0.613 360.0-101.8 -81.9 137.7 17.5 9.9 28.0 3 3 A P > - 0 0 32 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.044 24.2-121.2 -52.1 158.6 14.4 7.8 27.4 4 4 A A T 3 S+ 0 0 110 1,-0.3 -2,-0.1 -3,-0.1 65,-0.0 0.689 113.9 58.4 -77.6 -18.3 15.0 4.1 26.8 5 5 A N T 3 S+ 0 0 62 50,-0.1 65,-2.5 2,-0.1 2,-0.3 0.047 81.0 128.0 -97.7 24.3 13.2 4.5 23.4 6 6 A A B < S-a 70 0A 18 -3,-1.0 2,-0.3 63,-0.2 65,-0.2 -0.613 71.2-102.6 -84.5 140.2 15.7 7.2 22.4 7 7 A V - 0 0 5 63,-2.3 2,-0.2 -2,-0.3 65,-0.1 -0.442 37.4-139.7 -64.2 123.2 17.5 6.8 19.0 8 8 A A > - 0 0 41 -2,-0.3 3,-1.6 1,-0.1 6,-0.2 -0.541 14.0-124.8 -84.3 151.5 21.0 5.5 19.6 9 9 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 10,-0.1 0.834 113.3 54.3 -63.7 -32.8 23.9 6.9 17.5 10 10 A D T 3 S+ 0 0 130 4,-0.1 2,-0.3 5,-0.0 -1,-0.3 0.184 80.8 125.2 -87.7 17.6 24.7 3.3 16.5 11 11 A N <> - 0 0 32 -3,-1.6 4,-2.7 1,-0.1 5,-0.3 -0.605 66.0-130.4 -80.2 134.9 21.2 2.6 15.2 12 12 A A H > S+ 0 0 76 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.930 109.0 44.9 -47.5 -57.3 21.0 1.4 11.7 13 13 A T H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.860 112.2 52.9 -57.6 -37.9 18.3 3.9 10.7 14 14 A A H >>S+ 0 0 1 2,-0.2 5,-2.3 -6,-0.2 4,-1.1 0.888 110.0 47.3 -65.9 -40.1 20.2 6.7 12.5 15 15 A I H <5S+ 0 0 112 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.871 112.9 49.5 -68.8 -36.8 23.4 5.9 10.6 16 16 A A H <5S+ 0 0 84 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.898 115.8 42.5 -68.6 -41.4 21.5 5.8 7.3 17 17 A L H <5S- 0 0 26 -4,-2.5 61,-2.7 -5,-0.2 62,-0.3 0.618 105.6-128.9 -79.5 -14.9 19.8 9.1 8.0 18 18 A K T <5 + 0 0 50 -4,-1.1 9,-0.3 59,-0.2 2,-0.2 0.850 47.3 171.9 68.1 34.8 23.1 10.6 9.3 19 19 A Y < - 0 0 18 -5,-2.3 2,-0.4 58,-0.2 58,-0.3 -0.531 16.0-173.2 -81.2 142.3 21.2 11.7 12.5 20 20 A N B -D 76 0B 57 56,-2.6 56,-1.6 -2,-0.2 6,-0.1 -0.997 29.5-134.6-138.2 131.2 23.0 13.2 15.5 21 21 A Q S S+ 0 0 81 -2,-0.4 2,-0.6 54,-0.2 53,-0.2 0.742 101.8 49.2 -53.7 -26.4 21.5 14.0 18.9 22 22 A D S > S- 0 0 58 1,-0.1 3,-2.8 54,-0.1 53,-0.3 -0.884 71.8-160.8-122.0 99.1 23.3 17.3 18.8 23 23 A A G > S+ 0 0 3 51,-2.6 3,-1.6 -2,-0.6 5,-0.4 0.698 87.3 69.4 -48.1 -27.8 22.9 19.3 15.5 24 24 A T G 3 S+ 0 0 95 50,-0.3 -1,-0.3 1,-0.3 51,-0.1 0.648 104.1 47.5 -67.4 -13.0 25.9 21.4 16.1 25 25 A K G < S+ 0 0 145 -3,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.346 95.0 94.5-108.6 3.4 27.8 18.2 15.5 26 26 A S S < S- 0 0 24 -3,-1.6 3,-0.3 -4,-0.2 4,-0.1 -0.241 84.2-116.3 -86.2 178.7 26.0 17.1 12.3 27 27 A E S > S+ 0 0 117 -9,-0.3 4,-1.7 1,-0.2 5,-0.2 -0.302 72.8 128.3-109.8 42.9 27.1 17.8 8.8 28 28 A R H > + 0 0 23 -5,-0.4 4,-1.9 1,-0.2 5,-0.4 0.790 69.7 55.6 -68.7 -28.8 23.9 19.9 8.2 29 29 A V H 4 S+ 0 0 87 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.907 109.5 44.1 -69.8 -43.1 26.2 22.7 7.0 30 30 A A H 4 S+ 0 0 85 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.789 113.7 51.6 -72.4 -28.1 27.7 20.5 4.3 31 31 A A H < S- 0 0 47 -4,-1.7 -2,-0.2 2,-0.0 -1,-0.2 0.862 85.4-169.7 -75.4 -36.9 24.3 19.1 3.4 32 32 A A < - 0 0 48 -4,-1.9 -3,-0.1 -5,-0.2 -4,-0.1 0.929 8.6-162.9 41.1 84.8 22.9 22.6 3.0 33 33 A R - 0 0 92 -5,-0.4 3,-0.5 3,-0.2 -1,-0.1 -0.725 21.7 -99.9 -97.6 148.2 19.2 21.7 2.7 34 34 A P S S+ 0 0 107 0, 0.0 2,-0.7 0, 0.0 48,-0.4 -0.015 93.6 54.8 -59.7 167.0 16.6 24.2 1.3 35 35 A G S S- 0 0 60 46,-0.1 46,-0.0 47,-0.0 0, 0.0 -0.610 111.3 -3.2 109.4 -71.1 14.3 26.2 3.6 36 36 A L S S- 0 0 49 -2,-0.7 -3,-0.2 -3,-0.5 5,-0.1 -0.944 91.6 -63.5-149.9 167.8 16.7 28.0 6.0 37 37 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.215 44.8-124.7 -54.9 141.3 20.4 28.2 6.8 38 38 A P G > S+ 0 0 29 0, 0.0 3,-3.7 0, 0.0 -9,-0.1 0.928 108.2 69.7 -54.6 -48.1 21.9 25.0 8.1 39 39 A E G 3 S+ 0 0 127 1,-0.3 -10,-0.1 -10,-0.1 -15,-0.0 0.599 104.3 45.4 -47.4 -10.7 23.2 26.7 11.2 40 40 A E G < S+ 0 0 107 -3,-2.0 2,-0.4 -4,-0.0 -1,-0.3 0.339 87.4 109.8-116.2 3.6 19.5 26.9 12.1 41 41 A Q < + 0 0 0 -3,-3.7 2,-0.3 -4,-0.2 -13,-0.1 -0.695 33.7 133.9 -88.5 131.2 18.3 23.4 11.3 42 42 A H > - 0 0 49 -2,-0.4 3,-1.9 34,-0.0 34,-0.2 -0.957 69.2 -88.7-165.4 159.4 17.4 21.0 14.1 43 43 A C G > S+ 0 0 14 32,-2.8 3,-1.8 29,-0.4 6,-0.2 0.801 113.7 76.1 -44.9 -36.1 14.6 18.6 14.8 44 44 A A G 3 S+ 0 0 40 29,-1.9 -1,-0.3 1,-0.3 30,-0.1 0.784 104.0 32.7 -48.2 -36.6 12.6 21.4 16.5 45 45 A D G < S+ 0 0 38 -3,-1.9 38,-1.6 28,-0.1 2,-0.4 -0.242 92.4 122.8-118.2 42.9 11.6 22.9 13.2 46 46 A C B X -E 82 0C 14 -3,-1.8 3,-1.5 36,-0.2 36,-0.2 -0.868 62.5-135.2-109.0 139.1 11.3 19.8 11.0 47 47 A Q T 3 S+ 0 0 60 34,-3.8 -1,-0.1 -2,-0.4 35,-0.1 0.899 105.5 54.2 -55.0 -44.1 8.2 18.8 9.1 48 48 A F T 3 S+ 0 0 58 33,-0.2 16,-2.5 31,-0.2 -1,-0.3 0.486 83.6 111.9 -71.7 -5.0 8.6 15.2 10.3 49 49 A M E < -B 63 0A 35 -3,-1.5 2,-0.4 -6,-0.2 14,-0.2 -0.481 46.8-168.2 -73.7 139.4 8.8 16.0 14.0 50 50 A Q E > -B 62 0A 56 12,-2.2 2,-2.2 -2,-0.2 12,-1.9 -0.880 28.2-167.9-139.6 110.9 5.9 15.0 16.2 51 51 A A T 3 S+ 0 0 74 -2,-0.4 -2,-0.0 1,-0.2 10,-0.0 -0.287 82.9 86.1 -82.9 52.0 5.1 16.0 19.8 52 52 A D T 3 + 0 0 140 -2,-2.2 4,-0.2 2,-0.1 -1,-0.2 0.687 56.1 102.8-113.9 -65.0 2.6 13.1 19.5 53 53 A A S X S- 0 0 34 -3,-0.5 3,-1.1 1,-0.1 2,-0.2 0.247 80.1-109.0 -21.8 134.1 4.8 10.1 20.4 54 54 A A T 3 S+ 0 0 90 1,-0.2 -1,-0.1 7,-0.1 3,-0.1 -0.466 102.5 31.6 -74.8 144.6 4.2 8.9 24.0 55 55 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.453 84.9 154.0 88.1 1.4 6.9 9.6 26.6 56 56 A A < - 0 0 39 -3,-1.1 -1,-0.3 -4,-0.2 5,-0.2 -0.374 19.8-176.2 -64.9 139.7 7.8 12.8 24.7 57 57 A T - 0 0 59 3,-2.2 -1,-0.1 -3,-0.1 -2,-0.0 -0.272 44.9 -84.6-117.5-156.4 9.4 15.4 26.9 58 58 A D S S+ 0 0 152 -2,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.720 132.2 33.6 -88.0 -23.9 10.6 19.0 26.4 59 59 A E S S+ 0 0 93 1,-0.2 14,-2.9 14,-0.1 2,-0.5 0.553 118.4 61.6-104.7 -14.0 13.9 17.8 25.0 60 60 A W E + C 0 72A 7 12,-0.2 -3,-2.2 13,-0.1 12,-0.2 -0.906 56.8 165.5-129.3 114.1 12.6 14.7 23.4 61 61 A K E - C 0 71A 30 10,-1.7 10,-3.0 -2,-0.5 2,-0.2 -0.487 35.4-102.3-110.5-179.2 10.0 14.2 20.5 62 62 A G E -BC 50 70A 1 -12,-1.9 -12,-2.2 8,-0.3 2,-0.4 -0.548 29.4-148.5 -96.6 166.5 8.8 11.5 18.1 63 63 A C E > -B 49 0A 18 6,-0.6 3,-3.0 3,-0.3 6,-0.2 -0.979 15.9-136.7-142.9 125.1 9.9 11.4 14.5 64 64 A Q T 3 S+ 0 0 122 -16,-2.5 -15,-0.1 -2,-0.4 -1,-0.1 0.798 110.3 48.7 -47.7 -35.2 7.8 10.1 11.6 65 65 A L T 3 S+ 0 0 59 1,-0.2 -1,-0.3 -17,-0.1 -16,-0.1 0.467 112.1 53.5 -85.4 -3.5 10.9 8.3 10.2 66 66 A F S X S- 0 0 8 -3,-3.0 3,-2.2 3,-0.1 -3,-0.3 -0.286 75.9-175.7-128.3 50.1 11.6 6.8 13.6 67 67 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.113 73.2 19.6 -48.2 137.0 8.3 5.1 14.8 68 68 A G T 3 S+ 0 0 78 1,-0.3 2,-0.2 -14,-0.0 -6,-0.0 0.129 115.9 81.8 88.2 -20.4 8.5 3.7 18.3 69 69 A K < - 0 0 72 -3,-2.2 -6,-0.6 -6,-0.2 2,-0.4 -0.603 68.2-129.3-114.8 174.5 11.4 6.0 19.2 70 70 A L E -aC 6 62A 3 -65,-2.5 -63,-2.3 -2,-0.2 2,-0.3 -0.955 14.8-156.0-126.4 143.0 12.2 9.5 20.3 71 71 A I E - C 0 61A 4 -10,-3.0 -10,-1.7 -2,-0.4 2,-0.5 -0.725 32.2 -96.4-112.7 164.0 14.7 12.0 18.9 72 72 A N E > - C 0 60A 9 -2,-0.3 3,-3.2 -12,-0.2 -29,-0.4 -0.701 25.6-136.3 -82.6 125.5 16.4 15.0 20.6 73 73 A V T 3 S+ 0 0 22 -14,-2.9 -29,-1.9 -2,-0.5 -1,-0.1 0.715 108.7 50.2 -53.1 -19.3 14.5 18.2 19.8 74 74 A N T 3 S+ 0 0 87 -15,-0.4 -51,-2.6 -53,-0.2 -1,-0.3 0.140 94.9 98.1-106.2 18.2 18.0 19.6 19.2 75 75 A G < - 0 0 0 -3,-3.2 -32,-2.8 -53,-0.3 2,-0.3 -0.182 54.0-155.7 -93.6-171.7 19.2 16.9 16.9 76 76 A W B -D 20 0B 3 -56,-1.6 -56,-2.6 -34,-0.2 2,-0.3 -0.978 8.1-169.6-164.2 156.4 19.4 16.7 13.1 77 77 A C > - 0 0 16 -2,-0.3 3,-2.3 -58,-0.3 -59,-0.2 -0.982 43.8-101.7-150.3 154.6 19.4 14.2 10.2 78 78 A A T 3 S+ 0 0 37 -61,-2.7 -60,-0.1 -2,-0.3 -59,-0.0 0.607 117.0 66.7 -53.7 -11.4 20.1 14.4 6.5 79 79 A S T 3 + 0 0 36 -62,-0.3 -1,-0.3 2,-0.0 -31,-0.2 0.312 68.9 142.0 -95.2 8.6 16.3 14.2 6.1 80 80 A W < - 0 0 4 -3,-2.3 2,-0.4 -34,-0.1 -34,-0.1 -0.155 25.4-177.0 -53.2 139.9 15.4 17.6 7.6 81 81 A T - 0 0 50 -48,-0.1 -34,-3.8 -46,-0.0 -33,-0.2 -0.946 34.6-101.2-146.6 120.3 12.6 19.5 6.0 82 82 A L B -E 46 0C 85 -48,-0.4 2,-0.2 -2,-0.4 -36,-0.2 -0.069 41.3-117.2 -42.6 123.8 11.3 22.9 6.9 83 83 A K + 0 0 89 -38,-1.6 -1,-0.1 1,-0.2 -36,-0.1 -0.466 48.9 151.5 -69.6 130.0 8.2 22.7 9.0 84 84 A A 0 0 90 -2,-0.2 -1,-0.2 -37,-0.0 -2,-0.0 0.622 360.0 360.0-120.3 -59.4 5.1 24.3 7.4 85 85 A G 0 0 88 0, 0.0 -2,-0.1 0, 0.0 -38,-0.1 0.904 360.0 360.0 -43.9 360.0 2.2 22.3 8.9