==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 10-AUG-05 2AMS . COMPND 2 MOLECULE: HIGH POTENTIAL IRON-SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALLOCHROMATIUM VINOSUM; . AUTHOR L.M.HUNSICKER-WANG,W.HAN,C.D.STOUT,L.NOODLEMAN,J.A.FEE . 83 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4973.0 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 . 3 3.6 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 0 144 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.5 3.6 31.8 34.4 2 2 A A - 0 0 56 1,-0.1 68,-0.0 2,-0.1 56,-0.0 -0.453 360.0-103.1 -74.9 148.9 6.3 30.2 32.2 3 3 A P > - 0 0 37 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.226 36.2-105.8 -62.6 161.0 9.4 28.5 33.6 4 4 A A T 3 S+ 0 0 115 1,-0.3 -2,-0.1 63,-0.0 63,-0.0 0.783 121.2 46.1 -59.5 -30.0 12.6 30.5 33.5 5 5 A N T 3 S+ 0 0 72 2,-0.1 63,-1.7 62,-0.0 -1,-0.3 0.119 82.5 137.1-103.5 20.8 13.9 28.3 30.7 6 6 A A B < -a 68 0A 8 -3,-1.9 2,-0.2 61,-0.2 63,-0.2 -0.374 66.9-100.7 -62.1 146.5 10.7 28.3 28.6 7 7 A V - 0 0 3 61,-2.7 2,-0.2 2,-0.1 14,-0.1 -0.526 49.0-154.7 -66.4 132.2 11.1 28.7 24.8 8 8 A T > - 0 0 82 -2,-0.2 3,-1.6 -3,-0.1 6,-0.2 -0.661 25.9-105.2-113.5 166.2 10.3 32.3 24.1 9 9 A A T 3 S+ 0 0 81 1,-0.3 9,-0.1 -2,-0.2 -2,-0.1 0.649 115.8 50.6 -68.8 -15.8 9.0 34.2 21.1 10 10 A D T 3 S+ 0 0 133 4,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.290 76.3 119.9-102.1 11.2 12.4 35.8 20.2 11 11 A D <> - 0 0 21 -3,-1.6 4,-2.4 1,-0.1 5,-0.2 -0.608 67.7-136.2 -67.9 123.8 14.3 32.5 20.3 12 12 A P H > S+ 0 0 104 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.840 102.8 47.7 -58.2 -36.2 15.6 32.3 16.7 13 13 A T H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 6,-0.2 0.871 109.1 54.3 -70.5 -37.7 14.6 28.6 16.4 14 14 A A H 4>S+ 0 0 3 2,-0.2 5,-2.2 1,-0.2 4,-0.4 0.891 111.0 47.0 -58.6 -43.0 11.2 29.3 17.8 15 15 A I H ><5S+ 0 0 103 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.942 112.5 47.4 -64.7 -48.6 10.8 31.9 15.1 16 16 A A H 3<5S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.845 118.9 40.7 -60.6 -36.2 12.0 29.7 12.3 17 17 A L T 3<5S- 0 0 35 -4,-2.4 59,-3.4 -5,-0.1 -1,-0.3 0.382 106.6-124.9 -93.7 1.0 9.8 26.8 13.4 18 18 A K T < 5 - 0 0 116 -3,-1.0 9,-0.4 -4,-0.4 -3,-0.2 0.879 42.9-177.4 56.2 40.8 6.8 29.0 14.2 19 19 A Y < + 0 0 25 -5,-2.2 2,-0.3 -6,-0.2 56,-0.2 -0.438 10.7 177.9 -66.4 138.9 6.6 27.6 17.8 20 20 A N B -B 74 0B 55 54,-2.2 54,-2.1 -2,-0.1 50,-0.1 -0.981 33.3-138.3-139.9 138.8 3.8 28.9 20.1 21 21 A Q S S+ 0 0 86 -2,-0.3 2,-0.5 52,-0.2 51,-0.3 0.636 99.8 56.3 -68.5 -12.7 3.2 27.7 23.6 22 22 A D S > S- 0 0 53 3,-0.2 3,-2.0 52,-0.1 51,-0.3 -0.955 72.0-159.1-121.4 107.4 -0.5 27.6 22.7 23 23 A A G > S+ 0 0 4 49,-3.2 3,-1.0 -2,-0.5 5,-0.3 0.732 91.9 64.8 -61.1 -21.4 -1.4 25.5 19.7 24 24 A T G 3 S+ 0 0 105 1,-0.3 -1,-0.3 48,-0.3 49,-0.1 0.706 101.9 51.0 -77.1 -15.7 -4.7 27.4 19.2 25 25 A K G < S+ 0 0 143 -3,-2.0 -1,-0.3 -5,-0.0 2,-0.3 -0.379 99.8 95.7-107.3 48.8 -2.5 30.4 18.5 26 26 A S S < S- 0 0 28 -3,-1.0 3,-0.3 -5,-0.1 -7,-0.1 -0.848 80.0-119.8-131.0 171.8 -0.4 28.6 15.9 27 27 A E > + 0 0 114 -9,-0.4 4,-2.2 -2,-0.3 5,-0.2 -0.153 65.7 129.3-100.8 33.4 -0.3 28.1 12.1 28 28 A R H > S+ 0 0 25 -5,-0.3 4,-1.6 1,-0.2 5,-0.5 0.900 70.5 53.6 -60.0 -36.7 -0.7 24.3 12.4 29 29 A V H 4 S+ 0 0 80 -3,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.947 108.8 48.0 -64.5 -46.9 -3.5 24.4 9.8 30 30 A A H 4 S+ 0 0 82 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.895 111.7 50.3 -60.1 -38.4 -1.5 26.2 7.2 31 31 A A H < S- 0 0 40 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.822 83.2-164.5 -71.2 -29.3 1.5 23.9 7.7 32 32 A A < - 0 0 64 -4,-1.6 -3,-0.1 -3,-0.3 -4,-0.1 0.843 12.7-166.5 45.9 45.9 -0.6 20.7 7.3 33 33 A R > - 0 0 105 -5,-0.5 3,-0.6 1,-0.1 -1,-0.1 -0.251 22.5-107.7 -62.8 144.4 2.1 18.5 8.7 34 34 A P T 3 S+ 0 0 88 0, 0.0 46,-0.4 0, 0.0 -1,-0.1 -0.346 88.6 56.3 -78.3 154.8 1.4 14.8 8.1 35 35 A G T 3 S+ 0 0 52 44,-0.1 44,-0.1 -2,-0.1 -2,-0.0 -0.091 108.4 21.6 123.5 -34.9 0.4 12.3 10.6 36 36 A L S < S- 0 0 50 -3,-0.6 5,-0.1 44,-0.0 44,-0.0 -0.972 94.8 -84.3-150.4 154.7 -2.8 13.8 12.1 37 37 A P > - 0 0 69 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.332 52.4-114.5 -55.9 142.7 -5.3 16.4 11.0 38 38 A P G > S+ 0 0 35 0, 0.0 3,-1.9 0, 0.0 -9,-0.1 0.829 111.5 62.1 -59.6 -34.7 -3.7 19.7 12.0 39 39 A E G 3 S+ 0 0 123 1,-0.3 -10,-0.1 -11,-0.1 -11,-0.0 0.666 102.7 54.9 -66.0 -15.3 -6.3 20.7 14.6 40 40 A E G < S+ 0 0 104 -3,-1.8 2,-0.4 2,-0.0 -1,-0.3 0.463 88.0 102.8 -91.7 -3.5 -5.3 17.6 16.5 41 41 A Q < + 0 0 0 -3,-1.9 2,-0.3 -4,-0.3 -13,-0.1 -0.665 35.4 133.3 -89.8 133.4 -1.6 18.4 16.7 42 42 A H > - 0 0 55 -2,-0.4 3,-1.6 32,-0.1 32,-0.2 -0.958 66.8 -85.7-161.1 173.7 0.2 19.8 19.8 43 43 A C G > S+ 0 0 15 30,-1.9 3,-2.3 27,-0.3 6,-0.3 0.863 116.5 67.2 -56.5 -35.4 3.4 19.0 21.7 44 44 A A G 3 S+ 0 0 44 27,-2.1 -1,-0.3 1,-0.3 28,-0.1 0.780 107.5 38.9 -61.3 -23.6 1.9 16.3 23.8 45 45 A N G < S+ 0 0 40 -3,-1.6 36,-2.0 26,-0.2 2,-0.4 0.093 95.3 110.3-113.4 29.2 1.4 14.0 20.9 46 46 A C B X -C 80 0C 13 -3,-2.3 3,-1.8 34,-0.2 34,-0.2 -0.817 69.8-132.1-103.7 139.8 4.7 14.9 19.2 47 47 A Q T 3 S+ 0 0 65 32,-2.8 33,-0.1 -2,-0.4 -1,-0.1 0.749 104.9 56.7 -58.3 -27.1 7.6 12.5 18.9 48 48 A F T 3 S+ 0 0 65 31,-0.3 14,-2.6 29,-0.1 -1,-0.3 0.518 78.2 109.4 -88.1 -2.2 10.1 15.1 20.1 49 49 A M E < -D 61 0D 38 -3,-1.8 2,-0.7 -6,-0.3 12,-0.2 -0.546 60.0-148.6 -74.4 135.0 8.3 15.8 23.4 50 50 A Q E > -D 60 0D 71 10,-2.5 10,-1.5 -2,-0.3 3,-1.5 -0.876 12.8-173.0-109.5 106.2 10.4 14.5 26.3 51 51 A A E 3 S+ 0 0 68 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.676 81.4 59.8 -83.2 -7.8 8.1 13.5 29.0 52 52 A N E 3 S+ 0 0 166 3,-0.0 2,-0.4 7,-0.0 -1,-0.3 0.208 94.9 77.3 -99.1 14.5 10.9 12.8 31.5 53 53 A V E < S- 0 0 61 -3,-1.5 7,-0.8 7,-0.1 2,-0.1 -0.953 93.1 -0.4-120.0 139.7 12.1 16.4 31.3 54 54 A G E S-D 59 0D 45 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.478 80.9 -89.0 87.8-161.4 10.4 19.3 33.1 55 55 A E E > S-D 58 0D 151 3,-2.1 3,-2.0 -2,-0.1 2,-0.1 -0.956 71.7 -20.8-155.8 139.3 7.3 19.3 35.3 56 56 A G T 3 S- 0 0 42 -2,-0.3 15,-0.0 1,-0.3 0, 0.0 -0.406 128.5 -9.0 68.1-131.4 3.6 19.6 34.8 57 57 A D T 3 S+ 0 0 88 -2,-0.1 14,-2.5 1,-0.1 2,-0.7 0.426 122.4 82.3 -79.7 1.2 2.6 21.3 31.5 58 58 A W E < +DE 55 70D 42 -3,-2.0 -3,-2.1 12,-0.2 12,-0.2 -0.886 60.8 159.3-115.6 105.7 6.2 22.3 30.8 59 59 A K E -DE 54 69D 34 10,-1.7 10,-3.2 -2,-0.7 -5,-0.2 -0.680 40.2 -87.7-124.3 167.7 8.2 19.4 29.2 60 60 A G E -D 50 0D 0 -10,-1.5 -10,-2.5 -7,-0.8 2,-0.4 -0.358 26.0-158.1 -76.2 158.6 11.3 19.0 27.2 61 61 A C E > -D 49 0D 14 3,-0.4 3,-2.2 6,-0.3 6,-0.3 -0.983 17.5-139.7-130.2 127.2 11.5 19.2 23.4 62 62 A Q T 3 S+ 0 0 109 -14,-2.6 -13,-0.1 -2,-0.4 -1,-0.1 0.807 103.0 57.1 -56.8 -31.0 14.5 17.4 21.8 63 63 A L T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -15,-0.1 -14,-0.1 0.547 104.9 52.2 -77.4 -9.2 14.9 20.3 19.3 64 64 A F S X S- 0 0 7 -3,-2.2 3,-2.0 3,-0.1 -3,-0.4 -0.636 82.3-161.4-128.1 71.3 15.2 22.9 22.1 65 65 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.303 74.3 14.2 -62.0 133.6 18.0 21.6 24.3 66 66 A G T 3 S+ 0 0 73 1,-0.3 2,-0.2 -5,-0.0 -4,-0.1 0.474 113.6 88.8 84.5 4.7 18.1 23.2 27.7 67 67 A K < - 0 0 84 -3,-2.0 2,-0.4 -6,-0.3 -6,-0.3 -0.626 66.6-128.2-121.7-178.1 14.6 24.6 27.4 68 68 A L B -a 6 0A 15 -63,-1.7 -61,-2.7 -2,-0.2 2,-0.2 -0.993 14.3-162.2-132.2 143.6 11.0 23.7 28.1 69 69 A I E -E 59 0D 3 -10,-3.2 -10,-1.7 -2,-0.4 2,-0.4 -0.678 30.2-103.6-108.2 173.2 7.9 23.8 25.9 70 70 A N E > -E 58 0D 19 -2,-0.2 3,-2.5 -12,-0.2 -27,-0.3 -0.831 20.3-134.0 -97.4 136.5 4.3 23.7 26.8 71 71 A V T 3 S+ 0 0 21 -14,-2.5 -27,-2.1 -2,-0.4 -26,-0.2 0.697 108.3 55.5 -61.2 -19.2 2.6 20.4 26.2 72 72 A N T 3 S+ 0 0 78 -15,-0.3 -49,-3.2 -51,-0.3 -1,-0.3 0.252 95.3 94.1 -93.7 11.6 -0.3 22.4 24.7 73 73 A G < - 0 0 0 -3,-2.5 -30,-1.9 -51,-0.3 2,-0.3 -0.081 56.2-154.6 -90.0-167.3 2.0 24.2 22.2 74 74 A W B -B 20 0B 2 -54,-2.1 -54,-2.2 -32,-0.2 2,-0.3 -0.962 10.5-178.4-161.3 155.1 2.9 23.5 18.6 75 75 A C > - 0 0 13 -2,-0.3 3,-2.1 -56,-0.2 -57,-0.2 -0.944 45.1 -99.6-150.0 167.8 5.7 24.1 16.1 76 76 A A T 3 S+ 0 0 32 -59,-3.4 -58,-0.1 1,-0.3 -59,-0.0 0.560 116.4 66.3 -70.4 -8.0 6.3 23.2 12.4 77 77 A S T 3 S+ 0 0 38 -60,-0.2 -1,-0.3 2,-0.1 -29,-0.1 0.361 70.7 145.0 -89.1 6.8 8.5 20.3 13.3 78 78 A W < + 0 0 5 -3,-2.1 2,-0.3 -32,-0.1 -32,-0.1 -0.159 22.9 176.1 -44.5 131.7 5.4 18.5 14.8 79 79 A T - 0 0 61 -36,-0.1 -32,-2.8 -46,-0.1 -31,-0.3 -0.993 37.0 -95.8-141.9 132.9 5.8 14.8 14.1 80 80 A L B -C 46 0C 71 -46,-0.4 2,-0.9 -2,-0.3 -34,-0.2 -0.296 36.8-114.6 -56.2 137.8 3.4 12.1 15.4 81 81 A K + 0 0 105 -36,-2.0 -1,-0.1 1,-0.2 -35,-0.1 -0.592 51.2 158.0 -67.9 103.3 4.5 10.3 18.6 82 82 A A 0 0 87 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.443 360.0 360.0-112.3 -4.3 5.1 6.8 17.3 83 83 A G 0 0 94 -36,-0.0 -1,-0.2 0, 0.0 0, 0.0 -0.998 360.0 360.0 179.4 360.0 7.5 5.3 19.8