==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 28-MAR-07 2UXL . COMPND 2 MOLECULE: REACTION CENTER PROTEIN H CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR J.KOEPKE,R.DIEHM,G.FRITZSCH . 823 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 580 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 7.7 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 32 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.7 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 1 4 0 0 0 0 0 2 1 1 0 0 2 1 0 0 0 0 2 2 1 1 1 2 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 . 8 2 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 11 H D > 0 0 90 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 160.1 31.1 113.1 19.1 2 12 H L H > + 0 0 108 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.825 360.0 52.0 -64.5 -35.8 33.1 109.9 19.7 3 13 H A H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 111.6 46.8 -65.6 -48.3 30.5 108.0 21.7 4 14 H S H > S+ 0 0 25 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.841 112.5 51.6 -61.3 -35.4 27.8 108.5 19.1 5 15 H L H X S+ 0 0 112 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.886 108.5 50.8 -67.8 -42.9 30.3 107.5 16.4 6 16 H A H X S+ 0 0 25 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.928 109.3 49.7 -61.2 -48.7 31.2 104.3 18.3 7 17 H I H X S+ 0 0 22 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.869 112.4 46.5 -63.4 -33.6 27.6 103.2 18.7 8 18 H Y H X S+ 0 0 167 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.900 112.8 51.4 -75.1 -38.7 26.7 103.7 15.0 9 19 H S H X S+ 0 0 69 -4,-2.1 4,-2.4 2,-0.2 3,-0.3 0.951 107.3 52.3 -57.2 -56.6 29.9 101.9 14.0 10 20 H F H X S+ 0 0 15 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.874 105.5 54.4 -48.3 -47.0 29.1 98.9 16.2 11 21 H W H X S+ 0 0 144 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.903 108.8 49.1 -56.6 -40.6 25.6 98.5 14.7 12 22 H I H X S+ 0 0 102 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.936 110.2 51.1 -64.5 -42.8 27.1 98.4 11.2 13 23 H F H X S+ 0 0 82 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.875 109.2 53.0 -58.7 -38.7 29.6 95.8 12.5 14 24 H L H X S+ 0 0 18 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.866 103.9 52.3 -67.7 -41.5 26.6 93.8 13.9 15 25 H A H X S+ 0 0 69 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.950 114.1 46.8 -57.5 -43.3 24.6 93.7 10.6 16 26 H G H X S+ 0 0 41 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.878 109.6 51.4 -69.4 -39.0 27.8 92.3 9.0 17 27 H L H X S+ 0 0 12 -4,-2.3 4,-3.5 2,-0.2 5,-0.2 0.951 110.4 47.9 -65.3 -46.8 28.5 89.7 11.6 18 28 H I H X S+ 0 0 80 -4,-2.2 4,-3.5 2,-0.2 5,-0.2 0.935 109.8 55.3 -57.4 -44.4 25.0 88.3 11.5 19 29 H Y H X S+ 0 0 114 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.956 112.6 41.1 -48.1 -58.1 25.4 88.2 7.7 20 30 H Y H X S+ 0 0 77 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.960 114.7 51.7 -54.7 -56.2 28.6 86.1 8.1 21 31 H L H X S+ 0 0 4 -4,-3.5 4,-1.6 1,-0.2 -2,-0.2 0.934 110.3 49.3 -47.3 -51.0 27.1 83.9 10.9 22 32 H Q H < S+ 0 0 16 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.897 113.2 45.7 -60.3 -42.4 24.0 83.2 8.8 23 33 H T H >< S+ 0 0 13 -4,-2.1 3,-2.6 -5,-0.2 -1,-0.2 0.925 107.4 56.8 -67.5 -44.1 26.0 82.2 5.7 24 34 H E H >< S+ 0 0 22 -4,-3.0 3,-1.0 1,-0.3 -1,-0.2 0.867 104.8 56.3 -51.4 -33.8 28.5 80.1 7.6 25 35 H N T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 -5,-0.3 3,-0.3 0.423 94.5 66.0 -87.6 6.5 25.4 78.2 8.8 26 36 H M T < + 0 0 7 -3,-2.6 4,-0.4 1,-0.2 -1,-0.3 0.097 64.9 104.8-108.0 18.7 24.2 77.4 5.3 27 37 H R S < S+ 0 0 19 -3,-1.0 2,-0.3 38,-0.1 40,-0.2 0.659 84.7 41.9 -76.7 -12.6 27.1 75.1 4.4 28 38 H E S S+ 0 0 33 -3,-0.3 37,-0.0 37,-0.1 41,-0.0 -0.955 113.9 19.5-130.5 153.4 24.8 72.1 4.8 29 39 H G S S+ 0 0 0 -2,-0.3 216,-1.8 1,-0.2 218,-0.1 0.196 92.8 151.6 82.2 -15.1 21.2 71.6 3.7 30 40 H Y + 0 0 20 -4,-0.4 37,-0.3 214,-0.2 2,-0.2 -0.771 34.5 51.0-109.5 153.7 21.2 74.4 1.0 31 41 H P S S- 0 0 59 0, 0.0 -2,-0.1 0, 0.0 12,-0.0 0.496 91.3-118.9 -68.9 157.2 20.1 75.3 -1.6 32 42 H L - 0 0 17 -2,-0.2 8,-2.5 11,-0.1 2,-0.3 -0.201 31.6-146.4 -61.8 156.5 16.5 74.8 -0.4 33 43 H E B -AB 39 243A 43 210,-2.3 210,-2.7 6,-0.3 2,-0.1 -0.875 12.1-117.0-132.2 153.4 14.3 72.3 -2.2 34 44 H N > - 0 0 49 4,-2.8 3,-2.2 -2,-0.3 6,-0.1 -0.362 51.2 -93.6 -75.7 168.3 10.7 71.7 -3.3 35 45 H E T 3 S+ 0 0 14 1,-0.3 -1,-0.1 2,-0.1 44,-0.0 0.648 127.4 59.5 -58.1 -13.0 9.0 68.6 -1.8 36 46 H D T 3 S- 0 0 105 2,-0.1 -1,-0.3 212,-0.0 0, 0.0 0.286 120.1-104.3-104.2 1.8 10.1 66.8 -5.0 37 47 H G S < S+ 0 0 39 -3,-2.2 -2,-0.1 1,-0.3 3,-0.1 0.434 79.2 124.3 96.6 1.3 13.8 67.4 -4.5 38 48 H T S S- 0 0 58 1,-0.1 -4,-2.8 0, 0.0 -1,-0.3 -0.610 75.6 -79.4 -96.7 155.9 14.4 70.1 -7.0 39 49 H P B -A 33 0A 106 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.270 53.0-121.8 -51.7 128.0 15.9 73.6 -6.3 40 50 H A - 0 0 10 -8,-2.5 -8,-0.1 203,-0.2 3,-0.1 -0.441 10.9-128.4 -74.1 152.1 13.1 75.8 -4.8 41 51 H A S S+ 0 0 109 1,-0.2 2,-0.7 -2,-0.1 -1,-0.1 0.888 96.1 52.4 -71.1 -40.5 12.2 79.0 -6.6 42 52 H N + 0 0 129 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 -0.869 56.6 167.2-104.1 115.6 12.6 81.2 -3.5 43 53 H Q - 0 0 65 -2,-0.7 3,-0.3 1,-0.3 -1,-0.1 0.432 43.4-122.1 -99.4 -3.8 15.9 80.9 -1.7 44 54 H G - 0 0 45 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 -0.184 39.7 -62.2 79.1-178.5 15.8 84.0 0.6 45 55 H P S S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.634 103.5 85.9 -82.9 -14.3 18.2 86.9 0.9 46 56 H F - 0 0 73 -3,-0.3 2,-0.1 -24,-0.1 -27,-0.0 -0.766 68.1-140.7 -96.0 133.5 21.4 85.2 2.0 47 57 H P - 0 0 60 0, 0.0 -21,-0.1 0, 0.0 -1,-0.0 -0.418 29.6 -96.0 -78.0 158.6 23.8 83.6 -0.6 48 58 H L - 0 0 74 -2,-0.1 -24,-0.1 1,-0.1 -25,-0.1 -0.449 49.1-116.8 -60.7 148.5 25.6 80.3 -0.1 49 59 H P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.376 34.1 -82.1 -83.4 171.1 29.2 80.9 1.2 50 60 H K - 0 0 181 1,-0.1 15,-0.1 -2,-0.1 -23,-0.0 -0.469 60.7 -93.9 -65.8 141.5 32.5 80.1 -0.5 51 61 H P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.085 39.4-166.8 -53.6 153.0 33.6 76.5 -0.1 52 62 H K E -C 65 0B 38 13,-1.7 13,-1.8 14,-0.1 2,-0.5 -0.951 12.1-133.7-138.6 162.4 35.9 75.3 2.6 53 63 H T E -C 64 0B 77 -2,-0.3 2,-0.5 11,-0.2 11,-0.3 -0.948 8.5-164.1-127.1 115.8 37.8 72.0 3.1 54 64 H F E -C 63 0B 9 9,-3.0 9,-3.2 -2,-0.5 2,-0.6 -0.826 11.7-157.3 -88.0 127.9 38.1 69.8 6.1 55 65 H I E -C 62 0B 76 -2,-0.5 392,-1.6 390,-0.3 7,-0.2 -0.945 14.0-146.8-103.1 115.8 40.9 67.2 5.8 56 66 H L - 0 0 9 5,-1.8 3,-0.5 -2,-0.6 5,-0.3 -0.362 17.8-109.8 -81.4 159.8 40.2 64.2 8.1 57 67 H P S > S+ 0 0 29 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.275 94.6 35.9 -84.1 176.2 43.1 62.3 9.8 58 68 H H T 3 S- 0 0 82 1,-0.3 -2,-0.0 57,-0.1 58,-0.0 0.775 127.6 -76.5 52.9 30.4 44.3 58.8 9.2 59 69 H G T 3 S+ 0 0 76 -3,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.903 87.8 151.7 47.9 51.0 43.5 59.5 5.5 60 70 H R < - 0 0 58 -3,-1.3 2,-0.2 1,-0.4 -1,-0.1 0.368 61.4 -71.1 -97.2 9.6 39.8 59.0 6.3 61 71 H G - 0 0 36 -5,-0.3 -5,-1.8 2,-0.0 -1,-0.4 -0.499 43.1-114.6 123.4 161.0 38.4 61.3 3.6 62 72 H T E -C 55 0B 100 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.975 23.8-149.2-132.8 150.3 38.3 65.0 2.9 63 73 H L E -C 54 0B 50 -9,-3.2 -9,-3.0 -2,-0.3 2,-0.4 -0.982 10.4-170.2-128.9 135.5 35.2 67.3 2.8 64 74 H T E -C 53 0B 68 -2,-0.4 -11,-0.2 -11,-0.3 -2,-0.0 -0.972 25.6-134.6-121.2 131.5 34.2 70.5 1.0 65 75 H V E S+C 52 0B 12 -13,-1.8 -13,-1.7 -2,-0.4 2,-0.2 -0.993 73.1 31.0-148.3 141.5 31.1 72.5 1.9 66 76 H P S S+ 0 0 14 0, 0.0 -38,-0.1 0, 0.0 -14,-0.1 0.667 84.3 127.1 -76.3 172.3 28.8 73.8 0.6 67 77 H G - 0 0 33 -37,-0.3 -37,-0.1 -40,-0.2 0, 0.0 -0.891 66.1 -62.4 179.9 156.2 28.4 71.5 -2.5 68 78 H P - 0 0 145 0, 0.0 2,-0.3 0, 0.0 -38,-0.0 -0.173 57.9-174.2 -52.9 140.8 25.7 69.5 -4.2 69 79 H E - 0 0 56 -40,-0.0 2,-0.3 -39,-0.0 3,-0.0 -0.972 15.3-172.6-135.4 155.6 24.3 66.7 -2.0 70 80 H S - 0 0 81 -2,-0.3 176,-0.1 1,-0.0 175,-0.0 -0.905 38.7-112.0-135.5 167.5 21.9 63.8 -2.3 71 81 H E - 0 0 36 -2,-0.3 35,-0.5 2,-0.2 -1,-0.0 0.802 34.9-149.1 -67.6 -27.7 20.5 61.3 0.2 72 82 H D S S+ 0 0 129 1,-0.2 -1,-0.1 33,-0.1 33,-0.0 0.502 73.1 75.8 68.9 1.6 22.4 58.5 -1.4 73 83 H R S S- 0 0 26 33,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.914 89.6-103.6-134.4 161.1 19.5 56.3 -0.3 74 84 H P - 0 0 118 0, 0.0 2,-0.7 0, 0.0 0, 0.0 -0.663 29.2-141.0 -87.0 144.3 16.0 55.7 -1.6 75 85 H I - 0 0 50 -2,-0.3 2,-3.2 2,-0.1 23,-0.1 -0.810 2.5-154.5-114.7 100.5 13.1 57.4 0.4 76 86 H A + 0 0 22 -2,-0.7 15,-2.0 21,-0.4 16,-0.6 -0.282 53.8 120.6 -68.6 65.7 9.9 55.3 0.8 77 87 H L E -D 90 0C 14 -2,-3.2 2,-0.3 13,-0.3 12,-0.1 -0.939 39.3-169.2-128.1 146.7 7.6 58.3 1.3 78 88 H A E -D 89 0C 42 11,-2.3 11,-1.5 -2,-0.3 -2,-0.0 -0.999 29.4 -97.8-139.1 150.6 4.6 59.6 -0.6 79 89 H R E -D 88 0C 118 -2,-0.3 9,-0.2 9,-0.2 3,-0.1 -0.216 22.2-170.6 -56.0 139.6 2.4 62.8 -0.7 80 90 H T + 0 0 76 7,-1.1 2,-0.3 1,-0.1 -1,-0.1 0.407 68.2 43.6-106.7 -2.6 -0.8 62.8 1.2 81 91 H A S S- 0 0 28 6,-0.2 5,-0.1 2,-0.1 -1,-0.1 -0.958 75.5-121.0-146.0 159.4 -2.2 66.1 -0.1 82 92 H V S S+ 0 0 147 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.0 0.532 89.9 45.8 -80.8 -5.9 -2.5 68.1 -3.4 83 93 H S S > S- 0 0 61 1,-0.1 3,-0.7 0, 0.0 -2,-0.1 -0.779 92.8 -69.9-131.0 173.8 -0.6 71.1 -2.2 84 94 H E T 3 S+ 0 0 110 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.138 100.4 35.1 -49.9 147.5 2.7 72.4 -0.4 85 95 H G T 3 S+ 0 0 6 1,-0.3 181,-3.4 180,-0.1 -1,-0.2 0.331 80.8 114.8 96.4 -5.3 3.1 71.8 3.4 86 96 H F < - 0 0 75 -3,-0.7 -1,-0.3 179,-0.2 179,-0.1 -0.459 66.0 -87.3 -98.8 170.1 1.6 68.5 4.3 87 97 H P - 0 0 9 0, 0.0 -7,-1.1 0, 0.0 2,-0.5 -0.305 29.9-130.2 -69.2 159.3 3.0 65.1 5.6 88 98 H H E -D 79 0C 0 163,-2.3 -9,-0.2 160,-0.2 3,-0.1 -0.955 20.9-137.6-118.9 107.8 4.4 62.3 3.5 89 99 H A E -D 78 0C 37 -11,-1.5 -11,-2.3 -2,-0.5 2,-0.2 -0.355 25.3-108.2 -66.2 133.2 3.0 58.8 4.4 90 100 H P E -D 77 0C 36 0, 0.0 -13,-0.3 0, 0.0 -1,-0.1 -0.493 20.4-151.1 -55.3 130.6 5.5 55.9 4.4 91 101 H T S S+ 0 0 93 -15,-2.0 -14,-0.1 -2,-0.2 2,-0.1 0.543 80.7 10.2 -82.0 -7.9 4.8 53.8 1.4 92 102 H G S S- 0 0 43 -16,-0.6 3,-0.1 0, 0.0 0, 0.0 -0.297 118.1 -39.8-135.4-142.0 6.0 50.8 3.4 93 103 H D > - 0 0 54 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