==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 14-DEC-11 3V3Y . COMPND 2 MOLECULE: REACTION CENTER PROTEIN H CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR A.G.GABDULKHAKOV,T.Y.FUFINA,L.G.VASILIEVA,V.A.SHUVALOV . 824 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 38 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 336 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 4 0 4 1 0 0 0 1 1 0 2 0 0 3 0 0 0 0 2 1 1 1 0 1 3 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 7 4 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 5 1 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 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 10 H F 0 0 209 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 142.3 42.7 -4.7 12.1 2 11 H D > - 0 0 44 1,-0.0 4,-1.1 4,-0.0 3,-0.4 -0.311 360.0 -92.9 -95.5 177.6 40.4 -6.1 9.4 3 12 H L H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.855 120.6 52.3 -58.7 -45.5 38.1 -9.1 9.1 4 13 H A H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 105.2 56.2 -61.7 -37.1 40.6 -11.4 7.5 5 14 H S H > S+ 0 0 6 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.782 107.8 49.2 -69.3 -25.9 43.1 -10.8 10.3 6 15 H L H X S+ 0 0 103 -4,-1.1 4,-3.5 -3,-0.5 5,-0.3 0.947 107.8 52.7 -70.9 -50.6 40.5 -11.8 12.9 7 16 H A H X S+ 0 0 20 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.837 112.5 45.8 -56.4 -34.6 39.6 -15.1 11.0 8 17 H I H X S+ 0 0 23 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.856 114.4 45.0 -79.8 -36.6 43.3 -16.1 10.9 9 18 H Y H X S+ 0 0 164 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.925 114.2 52.1 -68.9 -42.2 44.1 -15.3 14.5 10 19 H S H X S+ 0 0 50 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.854 107.4 53.4 -60.5 -38.2 40.9 -17.0 15.5 11 20 H F H X S+ 0 0 11 -4,-1.5 4,-3.3 -5,-0.3 -1,-0.2 0.916 102.4 54.1 -66.8 -46.7 41.8 -20.1 13.5 12 21 H W H X S+ 0 0 143 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.842 110.3 49.2 -59.0 -32.5 45.3 -20.7 15.0 13 22 H I H X S+ 0 0 98 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.920 111.2 48.6 -73.4 -43.4 43.6 -20.7 18.4 14 23 H F H X S+ 0 0 89 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.965 109.5 54.3 -55.2 -51.7 41.0 -23.1 17.3 15 24 H L H X S+ 0 0 20 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.802 105.2 51.8 -54.0 -38.2 43.7 -25.4 15.8 16 25 H A H X S+ 0 0 59 -4,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.951 109.1 49.0 -67.1 -48.5 45.7 -25.7 19.0 17 26 H G H X S+ 0 0 43 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.794 110.6 53.3 -60.5 -28.1 42.7 -26.7 21.0 18 27 H L H X S+ 0 0 14 -4,-1.6 4,-3.4 2,-0.2 5,-0.3 0.924 107.9 48.5 -70.1 -46.3 42.0 -29.2 18.3 19 28 H I H X S+ 0 0 77 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 113.2 49.3 -61.1 -39.7 45.5 -30.6 18.6 20 29 H Y H X S+ 0 0 116 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.959 112.3 46.6 -63.3 -52.6 45.0 -30.7 22.4 21 30 H Y H X S+ 0 0 79 -4,-2.8 4,-3.6 1,-0.2 -2,-0.2 0.939 115.6 46.4 -50.9 -53.8 41.7 -32.5 22.0 22 31 H L H X S+ 0 0 5 -4,-3.4 4,-1.3 2,-0.2 -1,-0.2 0.879 112.5 50.0 -57.4 -42.1 43.1 -35.0 19.5 23 32 H Q H < S+ 0 0 17 -4,-2.5 3,-0.4 -5,-0.3 -2,-0.2 0.959 116.1 40.8 -68.5 -47.3 46.2 -35.6 21.6 24 33 H T H >< S+ 0 0 13 -4,-3.0 3,-2.7 1,-0.2 -2,-0.2 0.921 109.3 59.3 -64.6 -43.8 44.2 -36.3 24.7 25 34 H E H >< S+ 0 0 18 -4,-3.6 3,-0.6 1,-0.3 -1,-0.2 0.804 104.7 54.4 -52.1 -28.4 41.6 -38.3 22.7 26 35 H N T 3< S+ 0 0 2 -4,-1.3 -1,-0.3 -3,-0.4 3,-0.2 0.182 89.7 75.2 -92.8 8.2 44.5 -40.5 21.8 27 36 H M T < + 0 0 6 -3,-2.7 4,-0.5 1,-0.1 -1,-0.2 0.240 61.2 104.8 -97.1 8.2 45.6 -41.2 25.3 28 37 H R S < S+ 0 0 20 -3,-0.6 2,-0.3 -4,-0.1 40,-0.3 0.612 82.4 39.0 -72.5 -11.2 42.8 -43.6 26.1 29 38 H E S S+ 0 0 38 -3,-0.2 37,-0.0 37,-0.1 41,-0.0 -0.945 114.7 22.2-126.6 156.1 45.0 -46.7 25.8 30 39 H G S S+ 0 0 0 -2,-0.3 216,-2.5 1,-0.2 218,-0.2 0.230 92.2 149.1 82.3 -14.7 48.6 -47.1 27.1 31 40 H Y + 0 0 18 -4,-0.5 37,-0.2 214,-0.2 2,-0.2 -0.821 34.7 47.5-115.1 151.8 48.5 -44.3 29.7 32 41 H P S S- 0 0 60 0, 0.0 214,-0.1 0, 0.0 12,-0.1 0.478 91.2-118.6 -70.2 158.9 49.6 -43.4 32.4 33 42 H L - 0 0 10 -2,-0.2 8,-2.3 212,-0.1 2,-0.3 -0.209 27.8-147.9 -69.4 158.8 53.2 -44.2 31.5 34 43 H E B -AB 40 244A 48 210,-2.7 210,-2.7 6,-0.3 2,-0.2 -0.897 15.2-119.2-125.6 152.2 55.3 -46.7 33.4 35 44 H N > - 0 0 58 4,-3.5 3,-2.9 -2,-0.3 6,-0.1 -0.567 49.0 -99.3 -76.5 160.1 58.8 -47.2 34.4 36 45 H E T 3 S+ 0 0 15 1,-0.3 -1,-0.1 -2,-0.2 44,-0.0 0.710 126.5 64.7 -59.4 -15.3 60.2 -50.4 33.0 37 46 H D T 3 S- 0 0 112 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.258 119.0-110.6 -88.0 6.3 59.5 -51.9 36.5 38 47 H G S < S+ 0 0 35 -3,-2.9 -2,-0.1 1,-0.3 3,-0.1 0.284 79.2 121.6 87.2 -10.3 55.7 -51.3 36.0 39 48 H T S S- 0 0 65 1,-0.1 -4,-3.5 -5,-0.1 -1,-0.3 -0.528 77.2 -80.0 -83.0 155.1 55.3 -48.5 38.5 40 49 H P B -A 34 0A 99 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.285 49.4-115.1 -57.4 132.2 53.9 -45.1 37.2 41 50 H A - 0 0 8 -8,-2.3 -8,-0.1 203,-0.2 3,-0.0 -0.322 10.3-132.1 -66.6 148.2 56.5 -42.9 35.5 42 51 H A S S+ 0 0 107 1,-0.2 2,-0.7 2,-0.1 -1,-0.1 0.948 95.9 58.8 -63.5 -46.9 57.4 -39.5 37.1 43 52 H N + 0 0 118 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 -0.756 52.7 169.2 -93.5 112.7 56.9 -37.7 33.8 44 53 H Q - 0 0 61 -2,-0.7 3,-0.2 1,-0.2 -1,-0.1 0.498 48.8-119.3 -93.2 -5.2 53.5 -38.0 32.2 45 54 H G - 0 0 34 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 -0.124 41.3 -62.7 80.9 171.9 54.2 -35.4 29.6 46 55 H P S S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.730 107.3 83.1 -70.0 -25.0 52.3 -32.1 29.2 47 56 H F S S- 0 0 64 -3,-0.2 2,-0.1 1,-0.1 -27,-0.0 -0.609 71.3-133.3 -90.1 139.8 48.8 -33.5 28.3 48 57 H P - 0 0 61 0, 0.0 -21,-0.1 0, 0.0 -1,-0.1 -0.461 32.1 -95.4 -80.8 155.4 46.3 -34.7 31.0 49 58 H L - 0 0 78 -2,-0.1 -24,-0.1 1,-0.1 -25,-0.1 -0.418 47.7-117.9 -60.6 145.3 44.4 -38.0 30.7 50 59 H P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.279 33.8 -87.8 -74.7 175.9 41.0 -37.4 29.2 51 60 H K - 0 0 180 1,-0.1 15,-0.1 -2,-0.0 -23,-0.0 -0.581 58.7 -94.1 -75.7 146.7 37.7 -38.1 31.0 52 61 H P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.227 37.9-162.0 -59.8 150.4 36.6 -41.7 30.5 53 62 H K E -C 66 0B 38 13,-2.7 13,-1.7 -25,-0.1 2,-0.5 -0.906 10.5-137.8-124.1 160.8 34.2 -42.6 27.8 54 63 H T E -C 65 0B 76 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.954 6.5-156.2-131.3 119.6 32.2 -45.8 27.7 55 64 H F E -C 64 0B 9 9,-2.1 9,-1.5 -2,-0.5 2,-0.7 -0.729 13.2-142.2 -87.1 133.2 31.5 -48.0 24.7 56 65 H I E -C 63 0B 63 390,-0.4 392,-3.4 -2,-0.4 7,-0.2 -0.872 21.1-145.7 -94.4 111.7 28.5 -50.3 24.7 57 66 H L > - 0 0 8 5,-2.6 4,-0.6 -2,-0.7 5,-0.5 -0.593 20.5-110.1 -82.6 139.1 29.6 -53.5 23.1 58 67 H P T >4 S+ 0 0 22 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.110 91.0 28.8 -65.6 162.8 26.9 -55.3 21.0 59 68 H H T 34 S- 0 0 72 1,-0.2 -2,-0.0 2,-0.1 58,-0.0 0.893 126.8 -64.9 54.6 51.7 25.3 -58.6 22.0 60 69 H G T 34 S+ 0 0 78 -3,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.730 93.7 133.9 51.0 33.6 25.6 -58.3 25.8 61 70 H R << - 0 0 45 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 0.394 62.3-128.9 -93.9 4.7 29.4 -58.4 25.9 62 71 H G - 0 0 38 -5,-0.5 -5,-2.6 2,-0.0 -1,-0.3 -0.621 31.0 -56.8 92.6-147.8 29.4 -55.4 28.3 63 72 H T E -C 56 0B 84 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.850 27.6-141.4-132.6 168.5 31.2 -52.2 28.1 64 73 H L E -C 55 0B 38 -9,-1.5 -9,-2.1 -2,-0.3 2,-0.5 -0.994 13.3-162.5-129.1 137.3 34.7 -50.8 27.8 65 74 H T E -C 54 0B 57 -2,-0.4 -11,-0.2 -11,-0.2 -2,-0.0 -0.984 18.7-137.4-126.3 122.8 35.8 -47.7 29.7 66 75 H V E S+C 53 0B 6 -13,-1.7 -13,-2.7 -2,-0.5 2,-0.2 -0.978 82.2 33.8-132.2 141.0 38.9 -45.8 28.6 67 76 H P S S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -38,-0.1 0.656 92.6 147.4 -72.8 158.3 41.0 -44.7 29.9 68 77 H G - 0 0 27 -40,-0.3 -2,-0.1 -37,-0.2 -37,-0.1 -0.859 55.6 -55.3-144.8 173.4 40.9 -47.3 32.6 69 78 H P - 0 0 140 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.337 64.6-149.9 -51.6 135.1 43.1 -49.3 35.0 70 79 H E + 0 0 48 -38,-0.0 2,-0.3 -3,-0.0 3,-0.1 -0.896 30.4 136.9-127.8 149.9 45.7 -51.0 32.9 71 80 H S - 0 0 60 -2,-0.3 176,-0.1 1,-0.1 175,-0.0 -0.951 52.5-114.1-178.2 158.6 47.8 -54.2 33.0 72 81 H E - 0 0 36 -2,-0.3 35,-0.3 2,-0.2 -1,-0.1 0.768 33.6-149.0 -77.9 -28.1 49.0 -57.1 30.9 73 82 H D S S+ 0 0 137 1,-0.2 -1,-0.0 -3,-0.1 -2,-0.0 0.865 71.2 74.3 55.7 39.0 47.0 -59.7 32.7 74 83 H R S S- 0 0 34 2,-0.0 2,-0.3 33,-0.0 -2,-0.2 -0.933 89.8 -95.5-173.2 148.5 49.9 -62.1 31.9 75 84 H P - 0 0 116 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.565 33.4-152.2 -70.3 133.8 53.4 -62.9 33.0 76 85 H I - 0 0 53 -2,-0.3 2,-1.1 2,-0.1 23,-0.1 -0.908 2.9-150.5-115.5 113.0 56.1 -61.3 30.8 77 86 H A + 0 0 24 -2,-0.6 15,-0.5 21,-0.3 2,-0.3 -0.625 50.5 108.7 -91.3 102.4 59.4 -63.2 30.6 78 87 H L - 0 0 15 -2,-1.1 2,-0.3 13,-0.3 12,-0.1 -0.973 44.1-154.8-162.4 157.0 62.2 -60.6 30.1 79 88 H A E -D 90 0C 42 11,-2.0 11,-2.0 -2,-0.3 -2,-0.0 -1.000 31.3 -91.9-148.2 144.8 65.0 -59.2 32.2 80 89 H R E -D 89 0C 116 -2,-0.3 9,-0.2 9,-0.2 3,-0.1 -0.154 23.1-162.5 -55.6 139.8 67.0 -56.0 32.2 81 90 H T S S+ 0 0 73 7,-1.0 2,-0.3 1,-0.1 -1,-0.1 0.394 73.2 21.2 -99.0 -1.0 70.2 -56.0 30.2 82 91 H A S S- 0 0 34 6,-0.1 5,-0.1 2,-0.1 -1,-0.1 -0.956 78.4-105.7-162.8 173.9 71.6 -53.0 32.0 83 92 H V S S+ 0 0 141 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 0.466 92.5 51.9 -96.6 -4.8 71.4 -50.8 35.1 84 93 H S S > S- 0 0 62 1,-0.1 3,-0.6 0, 0.0 -2,-0.1 -0.858 91.2 -81.6-128.9 164.6 69.7 -47.7 33.7 85 94 H E T 3 S+ 0 0 114 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.149 98.2 43.2 -58.0 150.9 66.5 -47.0 31.8 86 95 H G T 3 S+ 0 0 3 1,-0.3 181,-3.7 182,-0.1 -1,-0.2 0.413 78.8 119.4 100.8 0.1 66.2 -47.3 28.0 87 96 H F < - 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0 0 58 1,-0.1 4,-2.8 -99,-0.1 3,-0.4 -0.927 62.7-156.8-136.7 111.7 45.0 -8.3 -3.1 818 294 M W H > S+ 0 0 0 -101,-3.4 4,-1.7 -2,-0.4 -100,-0.2 0.793 96.6 53.3 -65.5 -27.0 46.6 -11.1 -0.9 819 295 M Y H 4 S+ 0 0 108 -101,-0.7 -1,-0.3 -102,-0.3 4,-0.2 0.921 114.0 43.9 -65.7 -41.9 50.1 -9.8 -1.5 820 296 M V H >> S+ 0 0 72 -3,-0.4 3,-1.6 2,-0.2 4,-0.8 0.923 112.0 49.1 -71.2 -49.7 49.1 -6.4 -0.4 821 297 M W H >X S+ 0 0 28 -4,-2.8 4,-2.1 1,-0.3 3,-1.4 0.946 110.4 55.2 -54.5 -44.8 47.0 -7.4 2.7 822 298 M G H 3< S+ 0 0 22 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.565 95.4 66.8 -67.8 -10.6 50.1 -9.5 3.5 823 299 M Q H <4 S+ 0 0 125 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.760 118.8 19.4 -79.9 -26.5 52.3 -6.4 3.4 824 300 M N H << S+ 0 0 116 -3,-1.4 -2,-0.2 -4,-0.8 -3,-0.1 0.836 129.4 41.8 -98.8 -61.3 50.5 -5.0 6.5 825 301 M H < 0 0 56 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.275 360.0 360.0 -82.5 6.8 48.8 -7.8 8.3 826 302 M G 0 0 81 -5,-0.3 -3,-0.1 -4,-0.2 -4,-0.0 -0.150 360.0 360.0 -77.4 360.0 51.7 -10.1 7.9