==== 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) 09-DEC-93 1HPI . COMPND 2 MOLECULE: HIGH POTENTIAL IRON SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ECTOTHIORHODOSPIRA SHAPOSHNIKOVII; . AUTHOR M.M.BENNING,T.E.MEYER,I.RAYMENT,H.M.HOLDEN . 71 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 14.1 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 . 0 0.0 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 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 4.2 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+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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 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 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 M 0 0 148 0, 0.0 2,-0.3 0, 0.0 56,-0.2 0.000 360.0 360.0 360.0 131.2 34.4 81.7 5.6 2 2 A E E -a 57 0A 123 54,-1.6 56,-1.9 0, 0.0 2,-0.1 -0.977 360.0 -71.9-153.2 166.1 36.2 83.5 2.8 3 3 A R E -a 58 0A 147 -2,-0.3 56,-0.2 54,-0.2 2,-0.1 -0.360 49.9-118.2 -64.2 136.2 39.5 83.5 0.9 4 4 A L - 0 0 2 54,-2.9 2,-0.4 -2,-0.1 -1,-0.1 -0.440 25.2-136.5 -70.3 145.9 42.5 84.9 2.8 5 5 A S > - 0 0 56 -2,-0.1 3,-1.8 1,-0.1 6,-0.3 -0.818 11.6-129.3-103.8 144.7 44.1 88.0 1.3 6 6 A E T 3 S+ 0 0 60 -2,-0.4 -1,-0.1 1,-0.3 10,-0.1 0.764 109.8 50.7 -63.8 -21.7 47.9 88.4 1.0 7 7 A D T 3 S+ 0 0 117 4,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.373 78.3 117.8 -97.5 7.6 47.7 91.7 2.7 8 8 A D S <> S- 0 0 54 -3,-1.8 4,-2.4 1,-0.2 3,-0.5 -0.530 75.1-124.3 -69.5 142.2 45.6 90.6 5.5 9 9 A P H > S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.867 111.9 55.4 -54.5 -37.2 47.7 91.2 8.6 10 10 A A H > S+ 0 0 48 1,-0.2 4,-0.9 2,-0.2 6,-0.1 0.884 108.9 48.7 -61.8 -39.6 47.3 87.6 9.6 11 11 A A H >4>S+ 0 0 0 -3,-0.5 5,-2.6 -6,-0.3 3,-0.8 0.930 109.6 51.1 -64.8 -47.3 48.7 86.6 6.3 12 12 A Q H ><5S+ 0 0 109 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.878 101.5 61.6 -59.0 -40.3 51.6 89.0 6.5 13 13 A A H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.799 113.9 35.6 -56.9 -32.2 52.5 87.7 10.0 14 14 A L T <<5S- 0 0 39 -4,-0.9 52,-2.6 -3,-0.8 -1,-0.3 0.233 110.4-120.1-105.6 10.9 53.2 84.3 8.4 15 15 A E T < 5 - 0 0 87 -3,-1.6 -3,-0.2 -4,-0.2 2,-0.1 0.874 47.5-174.6 51.7 40.5 54.6 85.6 5.1 16 16 A Y < - 0 0 1 -5,-2.6 2,-0.3 -6,-0.1 49,-0.2 -0.393 13.6-175.5 -70.7 142.2 51.8 83.9 3.3 17 17 A R B -C 64 0B 73 47,-2.2 47,-1.7 -2,-0.1 3,-0.1 -0.995 29.1-140.5-135.3 140.9 51.7 83.8 -0.5 18 18 A H S S+ 0 0 49 -2,-0.3 2,-0.5 45,-0.2 44,-0.2 0.765 99.8 45.4 -70.7 -24.1 48.9 82.4 -2.8 19 19 A D > - 0 0 81 1,-0.1 3,-2.2 45,-0.1 44,-0.3 -0.952 69.7-161.0-125.4 109.0 51.7 81.1 -5.1 20 20 A A G > S+ 0 0 4 42,-2.7 3,-2.6 -2,-0.5 43,-0.1 0.791 87.1 74.2 -56.5 -32.6 54.7 79.4 -3.5 21 21 A S G 3 S+ 0 0 94 41,-0.3 -1,-0.3 1,-0.3 42,-0.1 0.682 93.9 54.9 -58.7 -15.1 56.7 79.9 -6.6 22 22 A S G < S+ 0 0 67 -3,-2.2 2,-0.3 2,-0.0 -1,-0.3 0.364 81.8 117.2-100.1 5.6 56.9 83.6 -5.5 23 23 A V < - 0 0 20 -3,-2.6 2,-0.4 -4,-0.1 -7,-0.0 -0.559 38.1-177.9 -78.1 135.2 58.3 82.9 -2.1 24 24 A Q + 0 0 187 -2,-0.3 -3,-0.0 3,-0.0 -1,-0.0 -0.847 35.1 127.3-133.2 89.7 61.7 84.2 -1.2 25 25 A H > - 0 0 53 -2,-0.4 3,-1.2 3,-0.1 -2,-0.0 -0.988 63.0-124.6-149.0 138.0 62.4 82.9 2.4 26 26 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.763 110.1 49.7 -54.9 -31.8 65.3 81.0 4.0 27 27 A A T 3 S+ 0 0 57 2,-0.0 2,-0.1 -3,-0.0 -3,-0.0 0.685 89.3 102.7 -83.3 -18.7 63.0 78.3 5.3 28 28 A Y < - 0 0 40 -3,-1.2 2,-0.4 36,-0.0 -3,-0.1 -0.371 48.5-171.7 -69.2 142.0 61.2 77.6 2.1 29 29 A E > - 0 0 127 -2,-0.1 3,-2.0 3,-0.0 -2,-0.0 -0.997 35.3 -98.9-133.2 136.8 62.1 74.6 -0.1 30 30 A E T 3 S+ 0 0 181 -2,-0.4 3,-0.1 1,-0.2 -9,-0.0 -0.299 108.4 36.6 -57.7 131.5 60.8 74.1 -3.6 31 31 A G T 3 S+ 0 0 50 1,-0.4 2,-0.5 -2,-0.0 -1,-0.2 0.138 82.4 122.0 111.5 -17.4 57.9 71.7 -3.6 32 32 A Q < + 0 0 19 -3,-2.0 -1,-0.4 -12,-0.1 2,-0.3 -0.681 33.8 153.5 -81.0 128.6 56.3 72.8 -0.3 33 33 A T > - 0 0 32 -2,-0.5 3,-0.8 -3,-0.1 31,-0.2 -0.932 60.0-103.3-146.4 167.3 52.7 74.0 -0.8 34 34 A C G > S+ 0 0 14 29,-1.2 3,-2.4 26,-0.4 6,-0.3 0.917 118.3 66.1 -59.4 -40.4 49.6 74.3 1.2 35 35 A L G 3 S+ 0 0 47 26,-2.3 -1,-0.3 1,-0.3 27,-0.1 0.838 108.6 35.6 -50.3 -38.4 48.4 71.2 -0.6 36 36 A N G < S+ 0 0 63 -3,-0.8 35,-1.3 25,-0.2 2,-0.4 0.182 95.7 113.5-104.2 20.6 51.1 69.1 1.0 37 37 A C B X -D 70 0C 11 -3,-2.4 3,-1.8 33,-0.2 33,-0.2 -0.748 68.0-135.6 -93.9 135.0 51.0 70.9 4.4 38 38 A L T 3 S+ 0 0 88 31,-3.1 -1,-0.1 -2,-0.4 32,-0.1 0.799 104.7 58.0 -56.0 -31.1 49.7 69.1 7.5 39 39 A L T 3 S+ 0 0 47 30,-0.3 13,-2.5 28,-0.2 2,-1.1 0.515 80.3 95.8 -79.4 -6.1 47.6 72.2 8.5 40 40 A Y B < -E 51 0D 2 -3,-1.8 11,-0.2 -6,-0.3 5,-0.1 -0.782 65.6-162.5 -89.2 98.1 45.7 72.1 5.2 41 41 A T S S+ 0 0 85 -2,-1.1 2,-0.9 9,-0.8 -1,-0.2 0.753 70.9 54.0 -57.0 -37.4 42.7 70.2 6.4 42 42 A D > - 0 0 74 8,-0.5 3,-2.2 1,-0.2 -1,-0.2 -0.844 62.7-171.9-107.7 98.7 41.1 69.0 3.2 43 43 A A T 3 S+ 0 0 55 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.645 85.5 55.7 -60.9 -16.2 43.8 67.2 1.3 44 44 A S T 3 S+ 0 0 90 -3,-0.1 2,-1.3 1,-0.0 -1,-0.3 0.478 74.9 105.4 -98.1 -0.3 41.5 66.9 -1.5 45 45 A A < + 0 0 11 -3,-2.2 -3,-0.1 1,-0.2 4,-0.1 -0.633 45.9 179.5 -79.4 99.9 40.8 70.6 -1.9 46 46 A Q S S+ 0 0 147 -2,-1.3 -1,-0.2 2,-0.1 3,-0.1 0.542 71.5 26.8 -82.1 -2.1 42.9 71.3 -5.0 47 47 A D S S- 0 0 103 1,-0.3 14,-2.8 14,-0.1 15,-0.4 0.723 127.8 -3.5-117.6 -67.7 42.1 75.0 -5.3 48 48 A W E S+B 60 0A 74 12,-0.2 -1,-0.3 13,-0.1 12,-0.2 -0.998 71.4 157.7-133.6 134.2 41.1 76.8 -2.1 49 49 A G E -B 59 0A 1 10,-2.4 10,-3.7 -2,-0.4 -6,-0.0 -0.970 39.8 -78.8-153.5 169.4 40.8 75.1 1.3 50 50 A P E -B 58 0A 47 0, 0.0 -9,-0.8 0, 0.0 -8,-0.5 -0.300 32.6-160.7 -72.1 155.7 40.8 75.6 5.0 51 51 A C B > -E 40 0D 18 6,-0.7 3,-2.0 3,-0.4 6,-0.3 -0.994 19.4-137.5-138.1 126.7 43.9 75.9 7.1 52 52 A S T 3 S+ 0 0 72 -13,-2.5 -12,-0.1 -2,-0.4 -1,-0.1 0.796 105.3 53.6 -54.6 -32.4 44.1 75.3 10.9 53 53 A V T 3 S+ 0 0 61 1,-0.2 -1,-0.3 -14,-0.2 -13,-0.1 0.579 108.6 50.6 -82.9 -5.9 46.3 78.3 11.4 54 54 A F S X S- 0 0 10 -3,-2.0 3,-1.8 3,-0.1 -3,-0.4 -0.631 81.1-160.2-129.7 71.0 43.9 80.7 9.6 55 55 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.232 74.7 16.1 -54.6 137.1 40.5 80.1 11.1 56 56 A G T 3 S+ 0 0 39 1,-0.2 -54,-1.6 -55,-0.1 2,-0.3 0.517 109.4 101.2 78.4 6.4 37.5 81.3 9.0 57 57 A K E < -a 2 0A 39 -3,-1.8 -6,-0.7 -6,-0.3 2,-0.4 -0.875 63.3-138.0-126.7 160.2 39.6 81.5 5.9 58 58 A L E -aB 3 50A 45 -56,-1.9 -54,-2.9 -2,-0.3 2,-0.3 -0.932 24.7-158.6-110.3 132.1 40.4 79.6 2.7 59 59 A V E - B 0 49A 2 -10,-3.7 -10,-2.4 -2,-0.4 2,-0.3 -0.771 27.9 -94.1-111.1 159.6 44.0 79.4 1.6 60 60 A S E > - B 0 48A 8 -2,-0.3 3,-2.3 -12,-0.2 -26,-0.4 -0.528 22.6-141.4 -71.8 127.6 45.4 78.7 -1.9 61 61 A A T 3 S+ 0 0 0 -14,-2.8 -26,-2.3 -2,-0.3 -25,-0.2 0.806 106.6 49.0 -59.2 -25.0 46.3 75.1 -2.4 62 62 A N T 3 S+ 0 0 99 -15,-0.4 -42,-2.7 -44,-0.2 -41,-0.3 0.334 99.4 96.6 -96.4 9.7 49.4 76.3 -4.3 63 63 A G < - 0 0 0 -3,-2.3 -29,-1.2 -44,-0.3 2,-0.3 0.032 53.0-157.1 -86.0-166.7 50.4 78.7 -1.6 64 64 A W B +C 17 0B 5 -47,-1.7 -47,-2.2 -31,-0.2 2,-0.3 -0.960 9.6 179.5-168.7 155.2 52.8 78.7 1.4 65 65 A C > - 0 0 13 -2,-0.3 3,-1.9 -49,-0.2 -50,-0.2 -0.940 48.3 -93.9-155.0 166.4 53.5 80.4 4.7 66 66 A T T 3 S+ 0 0 57 -52,-2.6 -51,-0.1 -2,-0.3 -52,-0.0 0.658 117.9 67.1 -61.3 -18.3 56.1 80.0 7.5 67 67 A A T 3 S+ 0 0 30 -53,-0.2 -1,-0.3 2,-0.0 -28,-0.2 0.382 71.8 138.1 -84.5 5.7 53.9 77.6 9.4 68 68 A W < + 0 0 56 -3,-1.9 2,-0.3 -31,-0.1 -34,-0.1 -0.252 24.5 170.3 -55.1 133.8 54.4 75.0 6.6 69 69 A V - 0 0 64 -35,-0.1 -31,-3.1 0, 0.0 -30,-0.3 -0.991 36.3-100.3-147.0 134.1 54.9 71.5 7.9 70 70 A A B D 37 0C 53 -2,-0.3 -33,-0.2 -33,-0.2 -38,-0.0 -0.221 360.0 360.0 -58.9 144.3 54.9 68.2 6.0 71 71 A R 0 0 147 -35,-1.3 -1,-0.1 -33,-0.0 -34,-0.1 0.831 360.0 360.0 -70.8 360.0 51.9 66.0 6.1