==== 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 26-MAR-07 2UX4 . 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) . 34171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 4 0.5 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 29 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 330 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.8 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 3 1 4 0 0 0 0 1 1 0 2 0 0 3 0 0 0 0 1 1 2 1 2 0 2 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 7 2 4 0 2 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 0 102 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.9 29.2 114.4 20.9 2 12 H L H > + 0 0 101 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.797 360.0 52.7 -59.3 -36.0 31.6 111.4 21.2 3 13 H A H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 110.1 47.2 -69.8 -38.3 29.2 109.1 23.1 4 14 H S H > S+ 0 0 32 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.856 111.9 51.8 -70.2 -34.6 26.5 109.5 20.4 5 15 H L H X S+ 0 0 99 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.923 110.8 48.7 -60.4 -44.9 29.1 108.9 17.8 6 16 H A H X S+ 0 0 24 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.884 113.3 45.4 -65.4 -39.5 30.1 105.7 19.6 7 17 H I H X S+ 0 0 20 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.905 112.6 49.9 -73.5 -40.5 26.5 104.5 20.0 8 18 H Y H X S+ 0 0 162 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.926 112.1 49.3 -60.2 -47.2 25.7 105.2 16.3 9 19 H S H X S+ 0 0 54 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.866 107.3 55.3 -58.7 -40.8 28.8 103.4 15.2 10 20 H F H X S+ 0 0 13 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.880 105.0 51.9 -63.3 -39.6 28.0 100.4 17.4 11 21 H W H X S+ 0 0 146 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.867 111.2 47.8 -65.2 -35.0 24.6 100.0 15.8 12 22 H I H X S+ 0 0 94 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.948 112.1 49.2 -69.0 -48.1 26.2 100.0 12.4 13 23 H F H X S+ 0 0 87 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.910 110.2 52.3 -55.3 -41.9 28.8 97.5 13.5 14 24 H L H X S+ 0 0 18 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.847 105.4 52.9 -68.3 -35.7 26.1 95.3 14.9 15 25 H A H X S+ 0 0 65 -4,-1.7 4,-2.1 -3,-0.2 -1,-0.2 0.941 112.7 45.7 -62.0 -46.9 24.1 95.2 11.7 16 26 H G H X S+ 0 0 40 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.873 111.9 52.3 -61.6 -39.6 27.2 94.1 9.9 17 27 H L H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.915 109.9 47.3 -63.9 -43.8 27.9 91.5 12.6 18 28 H I H X S+ 0 0 76 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.896 112.6 51.1 -64.4 -38.5 24.4 90.1 12.3 19 29 H Y H X S+ 0 0 112 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.958 112.0 46.1 -61.7 -52.1 24.8 90.0 8.6 20 30 H Y H X S+ 0 0 83 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.903 115.4 47.1 -54.6 -45.2 28.1 88.1 8.9 21 31 H L H X S+ 0 0 4 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.895 111.4 49.2 -70.5 -42.7 26.7 85.7 11.5 22 32 H Q H < S+ 0 0 14 -4,-2.9 3,-0.3 2,-0.2 -1,-0.2 0.923 113.3 46.8 -61.9 -44.7 23.6 84.9 9.5 23 33 H T H >< S+ 0 0 12 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.892 107.7 57.1 -65.7 -37.7 25.6 84.2 6.3 24 34 H E H >< S+ 0 0 17 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.831 103.9 54.9 -58.4 -31.0 28.0 82.1 8.3 25 35 H N T 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.3 3,-0.3 0.367 94.0 69.5 -88.4 7.7 25.1 80.0 9.3 26 36 H M T < + 0 0 6 -3,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.172 63.9 103.5-106.2 16.1 24.0 79.4 5.7 27 37 H R S < S+ 0 0 20 -3,-0.9 2,-0.3 38,-0.1 40,-0.2 0.428 84.2 44.2 -77.5 -0.1 27.0 77.1 4.9 28 38 H E S S+ 0 0 29 -3,-0.3 37,-0.0 37,-0.1 -1,-0.0 -0.995 112.0 16.9-142.7 144.7 24.7 74.1 5.2 29 39 H G S S+ 0 0 0 -2,-0.3 216,-2.4 1,-0.2 218,-0.2 0.345 92.9 149.0 83.3 -5.1 21.2 73.4 3.8 30 40 H Y + 0 0 12 -4,-0.3 37,-0.3 214,-0.2 -1,-0.2 -0.845 33.2 57.4-113.3 152.4 21.2 76.2 1.3 31 41 H P S S- 0 0 59 0, 0.0 214,-0.1 0, 0.0 38,-0.1 0.442 91.2-119.2 -70.4 156.6 20.2 77.1 -1.4 32 42 H L - 0 0 12 -2,-0.2 8,-1.8 212,-0.1 2,-0.3 -0.202 32.4-150.4 -62.1 157.7 16.6 76.6 -0.3 33 43 H E B -AB 39 243A 40 210,-3.0 210,-2.3 6,-0.3 2,-0.2 -0.846 13.9-118.0-133.2 158.3 14.5 74.1 -2.2 34 44 H N > - 0 0 43 4,-2.7 3,-2.5 -2,-0.3 6,-0.1 -0.554 51.4 -92.6 -86.0 165.2 10.9 73.3 -3.2 35 45 H E T 3 S+ 0 0 9 1,-0.3 -1,-0.1 -2,-0.2 44,-0.1 0.555 126.7 56.3 -57.7 -7.8 9.3 70.1 -1.9 36 46 H D T 3 S- 0 0 117 2,-0.2 -1,-0.3 212,-0.0 -3,-0.0 0.409 121.2-100.9-105.8 -2.5 10.5 68.3 -5.1 37 47 H G S < S+ 0 0 39 -3,-2.5 -2,-0.1 1,-0.3 3,-0.1 0.309 80.5 123.5 106.6 -6.8 14.2 69.2 -4.7 38 48 H T S S- 0 0 66 1,-0.1 -4,-2.7 -5,-0.0 -1,-0.3 -0.510 74.2 -82.9 -88.9 155.6 14.6 72.1 -7.1 39 49 H P B -A 33 0A 103 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.351 48.5-123.6 -58.1 126.9 15.9 75.6 -6.2 40 50 H A - 0 0 10 -8,-1.8 -8,-0.1 203,-0.2 -6,-0.0 -0.375 10.8-127.5 -70.3 150.9 13.2 77.7 -4.7 41 51 H A S S+ 0 0 108 1,-0.1 2,-0.7 -2,-0.1 -1,-0.1 0.962 96.3 58.6 -62.3 -52.8 12.4 81.0 -6.3 42 52 H N + 0 0 128 1,-0.1 -1,-0.1 -3,-0.0 -2,-0.1 -0.710 53.6 167.3 -87.7 111.6 12.7 83.0 -3.0 43 53 H Q - 0 0 62 -2,-0.7 3,-0.3 1,-0.2 -1,-0.1 0.470 46.9-119.8 -98.1 -3.5 16.1 82.7 -1.3 44 54 H G - 0 0 40 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 -0.134 38.1 -66.4 81.6 174.4 15.6 85.5 1.2 45 55 H P S S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.574 106.6 86.9 -79.4 -10.6 17.7 88.7 1.5 46 56 H F - 0 0 67 -3,-0.3 2,-0.1 -24,-0.0 -27,-0.0 -0.808 67.5-147.2 -95.8 126.6 21.0 87.0 2.7 47 57 H P - 0 0 66 0, 0.0 -21,-0.1 0, 0.0 -3,-0.0 -0.489 31.2 -91.7 -83.2 159.5 23.4 85.7 -0.0 48 58 H L - 0 0 74 -2,-0.1 2,-0.1 1,-0.1 -24,-0.1 -0.368 45.9-116.6 -65.7 146.6 25.6 82.6 0.4 49 59 H P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.440 38.2 -83.0 -76.9 162.0 29.0 83.3 1.9 50 60 H K - 0 0 185 1,-0.1 15,-0.1 -2,-0.1 0, 0.0 -0.399 63.1 -94.7 -56.2 139.3 32.3 82.7 0.0 51 61 H P - 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.204 38.7-157.1 -60.7 148.2 33.2 79.0 0.5 52 62 H K E -C 65 0B 36 13,-2.6 13,-2.1 -3,-0.1 2,-0.5 -0.921 6.6-140.6-122.0 155.5 35.5 77.9 3.2 53 63 H T E -C 64 0B 81 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.974 6.5-159.8-123.6 126.9 37.6 74.8 3.4 54 64 H F E -C 63 0B 9 9,-2.5 9,-1.7 -2,-0.5 2,-0.7 -0.888 16.8-138.0 -98.0 128.8 38.3 72.6 6.4 55 65 H I E -C 62 0B 64 -2,-0.5 392,-3.4 390,-0.4 7,-0.2 -0.793 21.2-144.1 -85.3 115.4 41.3 70.2 6.3 56 66 H L E > -C 61 0B 14 5,-2.1 5,-0.5 -2,-0.7 3,-0.4 -0.584 16.7-119.1 -80.5 139.5 40.2 66.9 7.7 57 67 H P T > 5S+ 0 0 27 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.214 87.2 36.1 -72.8 167.8 42.8 64.9 9.8 58 68 H H T 3 5S- 0 0 73 1,-0.2 -2,-0.0 2,-0.1 58,-0.0 0.783 128.3 -67.8 60.5 35.4 44.1 61.4 9.0 59 69 H G T 3 5S+ 0 0 78 -3,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.740 96.0 136.6 61.4 27.5 44.2 61.9 5.2 60 70 H R T < 5 - 0 0 37 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.1 0.447 60.6-121.2 -89.8 -0.8 40.4 62.0 5.2 61 71 H G E < -C 56 0B 37 -5,-0.5 -5,-2.1 2,-0.0 2,-0.3 -0.783 31.1 -69.3 111.1-146.7 40.2 65.0 2.8 62 72 H T E -C 55 0B 80 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.895 27.8-136.1-140.9 172.0 38.6 68.4 3.1 63 73 H L E -C 54 0B 43 -9,-1.7 -9,-2.5 -2,-0.3 2,-0.5 -0.995 13.7-164.1-134.7 130.8 35.1 69.9 3.3 64 74 H T E -C 53 0B 64 -2,-0.4 -11,-0.2 -11,-0.2 -2,-0.0 -0.969 19.4-136.8-118.7 127.0 34.1 73.0 1.4 65 75 H V E S+C 52 0B 8 -13,-2.1 -13,-2.6 -2,-0.5 2,-0.2 -0.998 80.7 36.1-143.2 137.8 31.0 74.8 2.3 66 76 H P S S+ 0 0 19 0, 0.0 -38,-0.1 0, 0.0 -39,-0.1 0.577 90.2 141.9 -65.1 157.5 28.8 76.0 1.0 67 77 H G - 0 0 25 -37,-0.3 -37,-0.1 -40,-0.2 -2,-0.1 -0.918 58.6 -50.6-151.8 176.9 28.8 73.3 -1.7 68 78 H P - 0 0 139 0, 0.0 2,-0.4 0, 0.0 -38,-0.0 -0.335 59.2-144.7 -57.6 126.5 26.4 71.2 -3.8 69 79 H E + 0 0 42 -38,-0.1 2,-0.3 -2,-0.0 3,-0.1 -0.792 28.9 156.3 -96.8 133.3 23.8 69.7 -1.5 70 80 H S - 0 0 69 -2,-0.4 176,-0.1 1,-0.1 175,-0.0 -0.930 43.1-137.8-154.7 145.6 22.3 66.3 -1.9 71 81 H E - 0 0 39 -2,-0.3 35,-0.4 174,-0.2 -1,-0.1 0.764 29.8-154.7 -61.2 -31.7 20.6 63.7 0.3 72 82 H D + 0 0 122 1,-0.1 -1,-0.1 33,-0.1 -2,-0.0 0.794 66.0 71.1 54.4 36.3 22.5 60.9 -1.4 73 83 H R S S- 0 0 29 2,-0.0 2,-0.2 33,-0.0 -2,-0.1 -0.929 90.9 -93.3-168.4 149.6 19.8 58.4 -0.5 74 84 H P - 0 0 117 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.515 29.7-146.7 -69.1 143.4 16.1 57.7 -1.5 75 85 H I - 0 0 44 -2,-0.2 2,-3.1 2,-0.1 23,-0.1 -0.889 3.9-152.4-115.9 97.5 13.4 59.3 0.6 76 86 H A + 0 0 23 -2,-0.6 15,-2.3 21,-0.3 16,-0.6 -0.301 55.8 113.9 -70.4 63.6 10.4 57.1 0.7 77 87 H L E -D 90 0C 13 -2,-3.1 2,-0.3 13,-0.3 -2,-0.1 -0.937 42.5-168.0-128.1 157.6 7.9 59.9 1.2 78 88 H A E -D 89 0C 43 11,-2.1 11,-2.0 -2,-0.3 -2,-0.0 -0.997 31.2 -94.8-145.5 144.6 5.0 61.3 -0.9 79 89 H R E -D 88 0C 106 -2,-0.3 9,-0.2 9,-0.2 3,-0.1 -0.079 21.2-166.6 -47.5 148.3 2.8 64.5 -0.8 80 90 H T S S+ 0 0 80 7,-0.8 2,-0.3 3,-0.2 -1,-0.1 0.304 71.9 41.7-119.5 0.3 -0.6 64.3 0.9 81 91 H A S S- 0 0 30 6,-0.1 5,-0.1 2,-0.1 4,-0.1 -0.940 77.5-120.6-144.3 164.4 -1.9 67.6 -0.5 82 92 H V S S+ 0 0 145 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 0.488 91.2 55.8 -86.5 -6.0 -1.9 69.6 -3.7 83 93 H S S > S- 0 0 63 1,-0.1 3,-0.6 0, 0.0 -3,-0.2 -0.823 92.2 -83.7-125.9 165.9 -0.1 72.7 -2.3 84 94 H E T 3 S+ 0 0 83 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.232 98.3 42.2 -61.2 148.5 3.2 73.6 -0.5 85 95 H G T 3 S+ 0 0 8 1,-0.3 181,-3.0 180,-0.1 -1,-0.2 0.492 79.2 114.4 100.2 6.9 3.5 73.2 3.3 86 96 H F < - 0 0 78 -3,-0.6 -1,-0.3 179,-0.2 179,-0.2 -0.583 69.7 -88.2-101.7 168.3 1.8 70.0 4.1 87 97 H P - 0 0 10 0, 0.0 -7,-0.8 0, 0.0 2,-0.5 -0.337 32.4-130.3 -71.2 158.8 3.3 66.8 5.6 88 98 H H E -D 79 0C 1 163,-2.8 -9,-0.2 160,-0.2 -8,-0.0 -0.956 21.4-137.0-114.7 118.8 4.7 64.0 3.4 89 99 H A E -D 78 0C 34 -11,-2.0 -11,-2.1 -2,-0.5 2,-0.1 -0.518 23.5-106.3 -79.1 140.1 3.4 60.5 4.2 90 100 H P E -D 77 0C 36 0, 0.0 -13,-0.3 0, 0.0 -1,-0.1 -0.395 19.7-151.2 -59.2 139.5 5.8 57.5 4.3 91 101 H T S S+ 0 0 94 -15,-2.3 -14,-0.1 2,-0.1 2,-0.1 0.751 78.9 1.0 -87.3 -26.9 5.4 55.2 1.3 92 102 H G S S- 0 0 43 -16,-0.6 3,-0.0 1,-0.0 0, 0.0 -0.128 121.2 -27.8-122.8-136.0 6.5 52.1 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3< S+ 0 0 0 -4,-2.8 -393,-1.8 1,-0.3 3,-0.3 0.795 118.0 36.0 -60.3 -29.5 17.9 67.1 23.0 749 226 M V T ><>S+ 0 0 0 -4,-1.8 5,-2.2 -3,-0.4 3,-1.7 0.182 84.7 102.6-107.3 16.1 20.0 65.7 20.1 750 227 M S G X 5 + 0 0 3 -3,-1.5 3,-1.6 1,-0.3 -566,-0.2 0.733 69.5 73.0 -70.7 -17.5 22.6 63.8 22.2 751 228 M R G 3 5S+ 0 0 17 -4,-0.3 -1,-0.3 1,-0.3 -523,-0.2 0.510 103.0 41.3 -69.1 -7.1 20.7 60.6 21.3 752 229 M F G < 5S- 0 0 4 -3,-1.7 15,-0.4 -524,-0.0 -1,-0.3 -0.048 130.4 -94.5-124.6 24.2 22.2 61.1 17.8 753 230 M G T X 5 + 0 0 7 -3,-1.6 3,-2.1 14,-0.1 -3,-0.2 0.691 68.5 157.5 76.0 20.4 25.6 62.1 19.1 754 231 M G T 3 < + 0 0 0 -5,-2.2 -4,-0.2 1,-0.3 6,-0.1 0.717 62.8 64.7 -48.3 -31.8 25.0 65.8 18.9 755 232 M E T 3 S+ 0 0 2 1,-0.2 2,-2.4 -9,-0.2 -1,-0.3 0.669 76.7 87.7 -78.2 -12.4 27.7 66.8 21.4 756 233 M R <> + 0 0 11 -3,-2.1 4,-1.1 1,-0.2 3,-0.3 -0.475 60.0 164.8 -76.5 68.9 30.3 65.6 19.0 757 234 M E H > + 0 0 9 -2,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.844 60.6 55.0 -66.9 -36.5 30.2 69.0 17.5 758 235 M L H 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360.0 23.2 112.7 22.8