==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER (IRON-SULFUR PROTEIN) 11-NOV-94 1PIJ . COMPND 2 MOLECULE: HIGH POTENTIAL IRON SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALORHODOSPIRA HALOPHILA; . AUTHOR L.BANCI,I.BERTINI,L.D.ELTIS,I.C.FELLI,D.H.W.KASTRAU, . 73 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 17.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 1.4 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 . 7 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 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 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 0 110 0, 0.0 2,-2.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-149.3 -8.9 -5.8 -14.3 2 2 A S - 0 0 125 57,-0.0 57,-0.1 56,-0.0 0, 0.0 -0.516 360.0-165.7 -80.0 68.1 -6.3 -3.3 -15.4 3 3 A E - 0 0 41 -2,-2.0 55,-0.2 1,-0.1 3,-0.1 -0.339 18.2-115.7 -61.7 135.4 -6.7 -1.3 -12.1 4 4 A P - 0 0 87 0, 0.0 55,-2.8 0, 0.0 2,-0.2 -0.311 37.5 -85.6 -71.6 155.1 -5.1 2.2 -12.3 5 5 A R B -a 59 0A 107 53,-0.2 55,-0.2 1,-0.1 42,-0.0 -0.415 54.4-105.7 -60.7 127.7 -2.2 3.2 -10.1 6 6 A A - 0 0 3 53,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.256 29.1-125.1 -59.5 139.1 -3.4 4.4 -6.7 7 7 A E > - 0 0 105 1,-0.1 3,-2.5 -3,-0.1 4,-0.3 -0.559 34.9 -94.7 -77.3 148.2 -3.4 8.2 -5.9 8 8 A D T 3 S+ 0 0 93 1,-0.3 7,-0.2 -2,-0.2 -1,-0.1 -0.486 120.4 16.0 -59.0 125.4 -1.6 9.4 -2.8 9 9 A G T 3 S+ 0 0 53 5,-2.7 -1,-0.3 2,-0.2 4,-0.2 0.679 80.0 146.6 70.9 23.2 -4.4 9.6 -0.3 10 10 A H S < S- 0 0 49 -3,-2.5 2,-0.3 1,-0.2 -2,-0.1 0.928 79.5 -41.5 -43.6 -54.5 -6.7 7.4 -2.5 11 11 A A S > S+ 0 0 29 -4,-0.3 3,-2.2 44,-0.0 -1,-0.2 -0.935 123.7 35.5-161.1 169.6 -8.1 6.1 0.8 12 12 A H T 3 S- 0 0 47 1,-0.3 55,-3.1 -2,-0.3 56,-0.4 0.755 121.7 -67.6 52.9 38.1 -6.8 5.1 4.3 13 13 A D T 3 S+ 0 0 90 53,-0.2 -1,-0.3 1,-0.2 11,-0.1 0.783 83.3 178.6 55.0 29.4 -4.0 7.7 4.5 14 14 A Y < - 0 0 2 -3,-2.2 -5,-2.7 52,-0.1 2,-0.3 -0.334 13.9-166.4 -64.3 145.8 -2.3 5.8 1.6 15 15 A V B -B 65 0B 11 50,-2.7 50,-2.1 -7,-0.2 3,-0.1 -0.977 23.9-143.3-129.2 145.1 1.1 7.1 0.2 16 16 A N S S+ 0 0 22 -2,-0.3 2,-0.6 48,-0.2 47,-0.1 0.784 100.4 49.0 -73.2 -33.3 2.8 5.9 -3.0 17 17 A E S >> S- 0 0 126 1,-0.2 3,-1.6 47,-0.1 4,-0.7 -0.964 80.1-150.2-106.9 111.9 6.2 6.3 -1.3 18 18 A A G >4 S+ 0 0 4 45,-3.1 3,-1.3 -2,-0.6 -1,-0.2 0.885 97.6 60.6 -41.6 -49.6 6.0 4.5 2.1 19 19 A A G >4 S+ 0 0 49 1,-0.3 3,-2.4 44,-0.2 -1,-0.3 0.807 89.7 69.4 -54.1 -35.6 8.6 7.1 3.4 20 20 A D G X4 S+ 0 0 108 -3,-1.6 3,-1.0 1,-0.3 -1,-0.3 0.910 91.9 61.5 -46.4 -43.2 6.1 9.9 2.7 21 21 A A G X< + 0 0 6 -3,-1.3 3,-2.3 -4,-0.7 6,-0.4 0.339 66.0 109.5 -76.3 11.8 4.0 8.6 5.6 22 22 A S G < S+ 0 0 85 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.799 74.4 62.6 -53.0 -29.1 6.8 9.2 8.1 23 23 A G G < S+ 0 0 76 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.1 0.747 86.8 86.4 -62.2 -29.4 4.5 11.9 9.4 24 24 A H S X S- 0 0 47 -3,-2.3 3,-2.4 1,-0.1 -3,-0.0 -0.701 76.8-144.1 -79.5 115.8 1.9 9.2 10.2 25 25 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.857 100.1 54.7 -49.0 -44.5 2.6 7.8 13.8 26 26 A R T 3 S+ 0 0 159 1,-0.1 2,-1.9 2,-0.1 -4,-0.1 0.599 80.1 103.4 -69.2 -11.0 1.5 4.3 12.7 27 27 A Y < - 0 0 25 -3,-2.4 2,-0.2 -6,-0.4 -1,-0.1 -0.570 59.3-170.4 -72.2 85.8 4.1 4.4 9.8 28 28 A Q > - 0 0 98 -2,-1.9 3,-1.7 1,-0.1 -2,-0.1 -0.522 38.6 -76.3 -70.2 150.0 6.7 2.1 11.4 29 29 A E T 3 S+ 0 0 173 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.180 111.0 3.4 -54.4 130.0 10.0 2.0 9.6 30 30 A G T 3 S+ 0 0 45 1,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.478 80.7 148.1 73.8 5.7 10.2 -0.0 6.4 31 31 A Q < + 0 0 25 -3,-1.7 2,-0.3 -13,-0.1 -1,-0.3 -0.646 22.4 170.8 -66.2 119.1 6.5 -1.0 6.4 32 32 A L > - 0 0 36 -2,-0.5 3,-2.0 -3,-0.1 33,-0.2 -0.959 48.9-114.6-126.8 149.1 5.8 -1.3 2.6 33 33 A C G > S+ 0 0 7 31,-2.6 3,-2.4 28,-0.3 30,-0.2 0.892 118.0 64.8 -44.9 -43.8 2.7 -2.6 0.9 34 34 A E G 3 S+ 0 0 113 28,-2.7 -1,-0.3 1,-0.3 29,-0.1 0.806 109.2 37.8 -51.5 -33.1 5.0 -5.4 -0.5 35 35 A N G < S+ 0 0 59 -3,-2.0 37,-0.9 27,-0.3 2,-0.3 0.000 91.7 119.8-109.6 24.8 5.5 -6.5 3.2 36 36 A C B X S-C 71 0C 10 -3,-2.4 3,-2.4 35,-0.2 33,-0.1 -0.721 70.2-129.5 -88.8 139.0 1.9 -5.9 4.3 37 37 A A T 3 S+ 0 0 49 33,-3.1 -1,-0.1 -2,-0.3 32,-0.1 0.691 112.2 53.7 -60.8 -18.1 -0.2 -8.9 5.5 38 38 A F T 3 S+ 0 0 60 32,-0.3 13,-2.8 -5,-0.1 -1,-0.3 0.237 81.1 129.6-101.3 11.5 -2.9 -7.8 3.0 39 39 A W E < -D 50 0D 56 -3,-2.4 11,-0.2 11,-0.2 -5,-0.1 -0.364 36.9-171.1 -58.6 141.1 -0.5 -7.8 0.1 40 40 A G E - 0 0 25 9,-3.0 2,-0.3 1,-0.2 -1,-0.1 0.600 47.4 -63.9 -90.1-105.1 -1.7 -9.7 -3.0 41 41 A E E - 0 0 153 0, 0.0 8,-2.5 0, 0.0 -1,-0.2 -0.927 51.4 -88.7-141.1 162.4 1.1 -10.0 -5.6 42 42 A A E -D 48 0D 72 -2,-0.3 6,-0.3 6,-0.3 3,-0.1 -0.508 36.7-179.3 -70.3 143.9 3.1 -7.6 -7.8 43 43 A V E - 0 0 79 4,-3.0 2,-0.3 1,-0.4 5,-0.2 0.759 57.2 -21.0-113.1 -56.2 1.5 -6.8 -11.1 44 44 A Q E > S-D 47 0D 105 3,-1.5 3,-2.8 1,-0.0 -1,-0.4 -0.982 109.9 -6.1-159.5 152.7 3.8 -4.4 -13.0 45 45 A D T 3 S- 0 0 95 1,-0.3 3,-0.1 -2,-0.3 -1,-0.0 0.666 128.3 -40.8 28.4 54.0 6.7 -1.9 -12.6 46 46 A G T 3 S+ 0 0 34 1,-0.3 16,-2.4 15,-0.1 17,-0.7 0.663 116.5 111.5 76.3 19.9 6.7 -1.8 -8.7 47 47 A W E < +DE 44 61D 21 -3,-2.8 -4,-3.0 14,-0.3 -3,-1.5 -0.933 36.2 157.7-118.4 145.8 2.9 -1.9 -8.4 48 48 A G E -DE 42 60D 0 12,-3.0 12,-1.9 -2,-0.3 -6,-0.3 -0.898 39.0 -73.4-156.1 179.5 0.8 -4.7 -7.0 49 49 A R E - 0 0 57 -8,-2.5 -9,-3.0 -2,-0.3 2,-0.5 -0.585 22.3-152.3 -89.2 148.0 -2.5 -5.5 -5.5 50 50 A C E -D 39 0D 6 8,-0.4 2,-2.3 -11,-0.2 6,-0.4 -0.979 22.2-137.8-117.1 112.2 -3.8 -4.8 -1.9 51 51 A T + 0 0 75 -13,-2.8 -12,-0.1 -2,-0.5 3,-0.1 -0.220 66.9 100.2 -82.4 53.7 -6.4 -7.5 -1.1 52 52 A H S >> S- 0 0 54 -2,-2.3 4,-3.0 1,-0.1 3,-0.8 -0.993 75.0-122.9-131.9 142.0 -9.1 -5.4 0.7 53 53 A P H 3> S+ 0 0 121 0, 0.0 2,-1.9 0, 0.0 4,-1.0 0.913 111.2 48.8 -47.8 -60.2 -12.3 -4.1 -0.9 54 54 A D H 34 S+ 0 0 77 1,-0.2 -3,-0.1 2,-0.1 0, 0.0 -0.215 123.9 34.7 -76.4 46.4 -11.7 -0.4 -0.3 55 55 A F H X4 S+ 0 0 1 -2,-1.9 3,-2.8 -3,-0.8 -1,-0.2 0.215 98.1 68.3-159.3 -58.5 -8.2 -0.8 -1.7 56 56 A D H 3< S+ 0 0 50 -4,-3.0 -2,-0.1 -6,-0.4 -5,-0.1 0.704 81.4 88.1 -54.9 -21.5 -8.1 -3.4 -4.6 57 57 A E T 3< S+ 0 0 110 -4,-1.0 -1,-0.3 -5,-0.3 2,-0.3 0.809 100.0 28.0 -29.4 -50.0 -10.1 -0.7 -6.4 58 58 A V S < S- 0 0 8 -3,-2.8 2,-0.5 -55,-0.2 -8,-0.4 -0.881 92.0-109.9-121.9 155.2 -6.7 0.7 -7.4 59 59 A L B -a 5 0A 4 -55,-2.8 -53,-3.0 -2,-0.3 2,-0.2 -0.767 39.3-143.7 -84.9 126.2 -3.3 -1.0 -7.9 60 60 A V E -E 48 0D 0 -12,-1.9 -12,-3.0 -2,-0.5 2,-0.3 -0.622 17.9-106.2 -94.1 150.1 -1.0 0.1 -5.1 61 61 A K E > -E 47 0D 53 -14,-0.3 3,-2.2 -2,-0.2 -28,-0.3 -0.614 22.4-136.4 -66.9 132.7 2.7 0.8 -5.3 62 62 A A T 3 S+ 0 0 10 -16,-2.4 -28,-2.7 -2,-0.3 -27,-0.3 0.849 110.8 51.4 -57.1 -33.9 4.6 -2.1 -3.7 63 63 A E T 3 S+ 0 0 89 -17,-0.7 -45,-3.1 -30,-0.2 -1,-0.3 0.333 98.1 93.5 -83.0 1.6 6.7 0.7 -2.2 64 64 A G < - 0 0 0 -3,-2.2 -31,-2.6 -47,-0.3 2,-0.3 -0.092 58.1-159.6 -80.1-173.2 3.6 2.5 -0.9 65 65 A W B -B 15 0B 3 -50,-2.1 -50,-2.7 -33,-0.2 2,-0.3 -0.954 5.3-165.8-160.6 160.9 1.9 2.1 2.5 66 66 A C > - 0 0 6 -2,-0.3 3,-1.6 -52,-0.3 -53,-0.2 -0.956 37.4-105.6-146.8 168.1 -1.5 2.8 4.2 67 67 A S T 3 S+ 0 0 41 -55,-3.1 -54,-0.1 -2,-0.3 -55,-0.1 0.830 115.3 62.9 -62.8 -34.8 -3.1 3.1 7.6 68 68 A V T 3 S+ 0 0 39 -56,-0.4 -1,-0.3 2,-0.0 -55,-0.1 0.481 77.1 134.7 -72.4 -1.0 -4.8 -0.4 7.3 69 69 A Y < - 0 0 33 -3,-1.6 -33,-0.1 -33,-0.1 -36,-0.0 -0.211 32.7-176.1 -44.2 131.8 -1.2 -1.9 7.1 70 70 A A - 0 0 28 0, 0.0 -33,-3.1 0, 0.0 -32,-0.3 -0.988 29.6-111.0-128.1 138.6 -0.9 -5.0 9.3 71 71 A P B -C 36 0C 70 0, 0.0 2,-1.9 0, 0.0 -35,-0.2 -0.418 19.8-123.7 -68.0 145.0 2.6 -6.7 9.6 72 72 A A 0 0 69 -37,-0.9 -36,-0.1 1,-0.2 0, 0.0 -0.511 360.0 360.0 -85.3 64.3 3.0 -10.1 8.1 73 73 A S 0 0 171 -2,-1.9 -1,-0.2 0, 0.0 0, 0.0 0.325 360.0 360.0-150.4 360.0 4.1 -11.5 11.5