==== 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) 03-AUG-94 1PIH . COMPND 2 MOLECULE: HIGH POTENTIAL IRON SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HALORHODOSPIRA HALOPHILA; . AUTHOR L.BANCI,I.BERTINI,L.D.ELTIS,I.FELLI,D.H.W.KASTRAU, . 73 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 63.0 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 . 6 8.2 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 98 0, 0.0 2,-2.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.9 17.8 -0.5 0.9 2 2 A S - 0 0 91 41,-0.0 3,-0.1 57,-0.0 57,-0.1 -0.595 360.0-158.9 -73.7 71.5 15.9 -1.4 -2.3 3 3 A E - 0 0 45 -2,-2.1 55,-0.1 1,-0.1 3,-0.1 -0.146 28.0 -82.3 -52.0 151.6 13.8 -3.6 -0.1 4 4 A P - 0 0 89 0, 0.0 55,-2.7 0, 0.0 -1,-0.1 -0.307 52.9 -94.5 -62.6 142.1 11.9 -6.4 -2.0 5 5 A R B -a 59 0A 111 53,-0.2 55,-0.2 1,-0.1 11,-0.0 -0.395 53.9-100.3 -58.2 126.3 8.6 -5.5 -3.7 6 6 A A - 0 0 3 53,-3.1 2,-0.2 -2,-0.1 -1,-0.1 -0.141 33.1-117.5 -58.4 142.9 5.8 -6.3 -1.2 7 7 A E > - 0 0 94 -3,-0.1 3,-2.6 1,-0.1 2,-0.4 -0.546 30.9-103.2 -76.6 143.3 3.7 -9.5 -1.7 8 8 A D T 3 S+ 0 0 101 1,-0.3 7,-0.2 -2,-0.2 -1,-0.1 -0.560 118.4 16.8 -62.0 117.0 0.0 -9.3 -2.4 9 9 A G T 3 S+ 0 0 53 5,-2.7 -1,-0.3 -2,-0.4 4,-0.2 0.591 82.7 141.9 83.8 16.6 -1.3 -10.2 1.1 10 10 A H S < S- 0 0 39 -3,-2.6 2,-0.3 1,-0.2 -2,-0.1 0.933 78.9 -31.8 -45.6 -58.3 2.1 -9.4 2.8 11 11 A A S > S+ 0 0 28 -4,-0.3 3,-2.2 1,-0.0 -2,-0.2 -0.954 124.8 23.5-156.0 162.2 0.2 -7.9 5.8 12 12 A H T 3 S- 0 0 63 1,-0.3 55,-3.0 -2,-0.3 56,-0.3 0.806 122.8 -65.0 45.3 47.4 -3.0 -6.0 6.5 13 13 A D T 3 S- 0 0 87 53,-0.2 -1,-0.3 -4,-0.2 11,-0.1 0.740 82.6-178.8 56.8 25.8 -4.8 -7.2 3.4 14 14 A Y < - 0 0 2 -3,-2.2 -5,-2.7 52,-0.1 2,-0.3 -0.298 10.6-168.3 -62.1 142.7 -2.3 -5.4 1.2 15 15 A V B -B 65 0B 12 50,-2.7 50,-2.0 -7,-0.2 3,-0.1 -0.962 26.4-138.6-127.9 146.1 -2.7 -5.5 -2.6 16 16 A N S S+ 0 0 27 -2,-0.3 2,-0.5 48,-0.2 47,-0.2 0.733 100.9 46.6 -73.2 -27.0 -0.1 -4.4 -5.2 17 17 A E S >> S- 0 0 129 1,-0.1 3,-1.7 48,-0.1 4,-0.7 -0.985 78.7-147.4-116.0 116.6 -3.0 -2.8 -7.2 18 18 A A G >4 S+ 0 0 4 45,-2.9 3,-1.7 -2,-0.5 -1,-0.1 0.888 98.7 64.0 -42.6 -49.0 -5.4 -0.7 -5.1 19 19 A A G >4 S+ 0 0 36 1,-0.3 3,-2.4 44,-0.2 -1,-0.3 0.803 88.3 67.9 -49.6 -38.2 -8.2 -1.8 -7.5 20 20 A D G X4 S+ 0 0 113 -3,-1.7 3,-1.1 1,-0.3 -1,-0.3 0.902 89.9 65.7 -49.1 -39.5 -7.7 -5.4 -6.4 21 21 A A G X< + 0 0 5 -3,-1.7 3,-2.1 -4,-0.7 6,-0.3 0.386 64.8 107.7 -72.7 9.0 -9.0 -4.3 -3.0 22 22 A S G < S+ 0 0 84 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.798 78.6 56.2 -49.8 -31.0 -12.5 -3.6 -4.5 23 23 A G G < S+ 0 0 73 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.1 0.679 87.4 96.0 -71.4 -24.5 -13.6 -6.7 -2.6 24 24 A H X - 0 0 44 -3,-2.1 3,-2.4 1,-0.1 -3,-0.0 -0.640 69.9-144.5 -80.0 120.1 -12.4 -5.3 0.7 25 25 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.877 101.2 53.2 -46.5 -49.3 -15.1 -3.6 2.9 26 26 A R T 3 S+ 0 0 84 -3,-0.0 2,-0.1 2,-0.0 -2,-0.0 0.615 91.7 103.2 -64.3 -15.8 -12.7 -1.0 4.2 27 27 A Y < + 0 0 22 -3,-2.4 2,-0.3 -6,-0.3 40,-0.0 -0.453 43.3 176.9 -73.9 145.8 -11.6 -0.1 0.6 28 28 A Q > - 0 0 91 -2,-0.1 3,-0.8 3,-0.1 -7,-0.1 -0.939 37.4 -99.3-133.4 150.0 -12.8 3.1 -1.2 29 29 A E T 3 S+ 0 0 123 -2,-0.3 3,-0.1 1,-0.2 2,-0.1 -0.086 100.7 35.9 -66.7 165.0 -11.6 4.0 -4.7 30 30 A G T 3 S+ 0 0 44 1,-0.2 2,-0.6 0, 0.0 -1,-0.2 0.038 82.0 124.7 80.7 -26.3 -8.8 6.5 -5.4 31 31 A Q < + 0 0 19 -3,-0.8 2,-0.3 -13,-0.1 -1,-0.2 -0.566 33.0 164.6 -70.0 112.1 -7.0 5.4 -2.3 32 32 A L > - 0 0 39 -2,-0.6 3,-2.2 -3,-0.1 33,-0.2 -0.939 51.2-111.5-123.4 149.0 -3.4 4.4 -3.4 33 33 A C G > S+ 0 0 7 31,-2.7 3,-2.5 -2,-0.3 30,-0.2 0.882 118.2 62.9 -42.0 -46.7 -0.3 4.0 -1.1 34 34 A E G 3 S+ 0 0 110 28,-2.7 -1,-0.3 1,-0.3 29,-0.1 0.774 109.0 40.3 -56.3 -26.8 1.2 7.1 -2.8 35 35 A N G < S+ 0 0 58 -3,-2.2 37,-0.9 27,-0.3 2,-0.3 0.021 90.9 118.8-109.2 23.6 -1.8 9.1 -1.3 36 36 A C B X S-C 71 0C 12 -3,-2.5 3,-2.3 35,-0.2 33,-0.1 -0.709 70.3-130.8 -86.5 139.0 -1.7 7.3 2.1 37 37 A A T 3 S+ 0 0 50 33,-3.2 -1,-0.1 -2,-0.3 32,-0.1 0.772 111.7 54.0 -60.5 -25.3 -1.1 9.4 5.2 38 38 A F T 3 S+ 0 0 68 32,-0.4 13,-3.0 30,-0.1 -1,-0.3 0.311 80.0 131.1 -91.3 8.3 1.5 6.8 6.1 39 39 A W E < -D 50 0D 53 -3,-2.3 11,-0.3 11,-0.2 3,-0.1 -0.347 38.5-168.3 -56.7 138.2 3.3 7.1 2.8 40 40 A G E - 0 0 35 9,-3.0 2,-0.3 1,-0.3 10,-0.2 0.845 49.0 -66.5 -85.8 -85.2 7.1 7.4 3.2 41 41 A E E - 0 0 150 8,-0.3 8,-2.6 0, 0.0 2,-0.3 -0.949 49.9 -86.6-163.9 159.1 8.4 8.5 -0.3 42 42 A A E +D 48 0D 62 -2,-0.3 6,-0.3 6,-0.3 3,-0.1 -0.598 37.3 179.4 -76.3 136.4 8.8 6.9 -3.7 43 43 A V E - 0 0 67 4,-2.7 5,-0.2 -2,-0.3 -1,-0.2 0.793 56.3 -35.1-106.7 -48.5 12.0 4.9 -4.1 44 44 A Q E > S+D 47 0D 82 3,-2.4 2,-2.6 0, 0.0 3,-0.6 -0.439 107.5 8.4-151.4-139.0 11.9 3.6 -7.7 45 45 A D T 3 S- 0 0 90 1,-0.3 3,-0.1 -2,-0.1 17,-0.0 -0.253 128.6 -44.7 -69.2 66.8 9.6 2.2 -10.5 46 46 A G T 3 S+ 0 0 28 -2,-2.6 16,-2.3 1,-0.3 17,-0.6 0.800 118.2 112.6 72.5 33.3 6.3 3.0 -8.9 47 47 A W E < +DE 44 61D 19 -3,-0.6 -4,-2.7 14,-0.3 -3,-2.4 -0.987 35.9 156.2-131.7 143.5 7.5 1.6 -5.6 48 48 A G E -DE 42 60D 0 12,-3.0 12,-1.6 -2,-0.3 -6,-0.3 -0.879 39.0 -80.7-153.1 178.0 8.1 3.5 -2.3 49 49 A R E - 0 0 56 -8,-2.6 -9,-3.0 -2,-0.3 2,-0.4 -0.535 27.0-149.8 -88.3 159.1 8.3 3.2 1.4 50 50 A C E -D 39 0D 7 -11,-0.3 2,-2.5 8,-0.2 6,-0.5 -0.998 21.8-125.8-133.4 120.9 5.4 3.1 4.0 51 51 A T S S+ 0 0 85 -13,-3.0 3,-0.1 -2,-0.4 -12,-0.1 -0.382 77.6 97.1 -74.9 68.6 5.9 4.5 7.5 52 52 A H >> - 0 0 46 -2,-2.5 4,-3.2 1,-0.1 3,-0.5 -0.924 68.2-142.0-146.4 131.8 4.8 1.4 9.5 53 53 A P H 3> S+ 0 0 114 0, 0.0 2,-2.1 0, 0.0 4,-1.0 0.943 106.1 62.0 -59.2 -44.0 7.4 -1.1 10.8 54 54 A D H 34 S+ 0 0 54 1,-0.2 -3,-0.0 2,-0.1 -43,-0.0 -0.286 120.9 22.6 -70.1 47.1 4.8 -3.8 9.9 55 55 A F H X4 S+ 0 0 1 -2,-2.1 3,-2.6 -3,-0.5 -1,-0.2 0.014 102.7 74.6-172.7 -55.4 5.2 -2.6 6.3 56 56 A D H 3< S+ 0 0 50 -4,-3.2 -2,-0.1 -6,-0.5 -53,-0.1 0.721 80.0 80.8 -55.5 -27.9 8.5 -0.9 5.6 57 57 A E T 3< S+ 0 0 97 -4,-1.0 2,-0.3 -5,-0.2 -1,-0.3 0.823 102.3 37.2 -35.9 -45.4 10.2 -4.3 5.7 58 58 A V S < S- 0 0 13 -3,-2.6 2,-0.5 -55,-0.1 -8,-0.2 -0.870 96.3-110.5-116.5 150.6 9.0 -4.7 2.1 59 59 A L B -a 5 0A 0 -55,-2.7 -53,-3.1 -2,-0.3 2,-0.3 -0.711 35.2-142.7 -82.6 121.4 8.8 -2.0 -0.5 60 60 A V E -E 48 0D 1 -12,-1.6 -12,-3.0 -2,-0.5 2,-0.2 -0.606 17.6-111.4 -88.4 144.2 5.1 -1.1 -1.2 61 61 A K E > -E 47 0D 42 -14,-0.3 3,-2.1 -2,-0.3 -14,-0.3 -0.558 20.6-129.4 -67.0 137.0 3.9 -0.3 -4.7 62 62 A A T 3 S+ 0 0 5 -16,-2.3 -28,-2.7 1,-0.3 -27,-0.3 0.884 114.1 45.7 -53.6 -40.9 2.9 3.3 -5.1 63 63 A E T 3 S+ 0 0 73 -17,-0.6 -45,-2.9 -30,-0.2 -1,-0.3 0.302 96.9 104.6 -85.0 8.0 -0.4 2.1 -6.6 64 64 A G < - 0 0 0 -3,-2.1 -31,-2.7 -47,-0.3 2,-0.3 -0.067 53.1-161.3 -70.7-177.3 -0.7 -0.5 -3.8 65 65 A W B -B 15 0B 0 -50,-2.0 -50,-2.7 -33,-0.2 2,-0.3 -0.940 7.3-171.3-160.1 155.6 -3.2 -0.3 -0.9 66 66 A C > - 0 0 6 -2,-0.3 3,-1.4 -52,-0.3 -53,-0.2 -0.935 38.4-109.0-143.3 167.2 -3.6 -1.8 2.6 67 67 A S T 3 S+ 0 0 32 -55,-3.0 -54,-0.1 -2,-0.3 -55,-0.1 0.764 114.4 66.1 -73.5 -21.7 -6.2 -1.8 5.4 68 68 A V T 3 S+ 0 0 31 -56,-0.3 -1,-0.3 2,-0.0 -30,-0.1 0.548 78.0 131.8 -71.1 -5.4 -3.9 0.4 7.6 69 69 A Y < - 0 0 15 -3,-1.4 -33,-0.0 -33,-0.1 -36,-0.0 -0.190 33.4-180.0 -45.7 132.2 -4.5 3.1 4.9 70 70 A A - 0 0 30 0, 0.0 -33,-3.2 0, 0.0 -32,-0.4 -0.981 31.6-110.7-130.3 139.5 -5.6 6.5 6.3 71 71 A P B -C 36 0C 69 0, 0.0 -35,-0.2 0, 0.0 -40,-0.0 -0.384 9.4-137.3 -72.3 151.1 -6.2 9.4 3.9 72 72 A A 0 0 66 -37,-0.9 -36,-0.1 -2,-0.1 0, 0.0 -0.189 360.0 360.0 -97.4 34.8 -3.9 12.4 3.8 73 73 A S 0 0 171 0, 0.0 -36,-0.1 0, 0.0 0, 0.0 -0.875 360.0 360.0-167.5 360.0 -6.9 14.7 3.6