==== 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 2UXM . 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) . 34321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 587 71.3 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 . 59 7.2 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 . 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 . 31 3.8 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 . 335 40.7 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 0 5 0 0 0 0 1 1 0 2 0 0 3 0 0 0 0 0 2 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 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 . 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 98 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 166.9 30.1 113.9 21.0 2 12 H L H > + 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.776 360.0 56.8 -62.1 -32.5 32.2 110.8 21.3 3 13 H A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.925 108.8 47.4 -69.6 -41.1 29.5 108.7 23.1 4 14 H S H > S+ 0 0 31 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.922 111.8 49.3 -62.7 -46.0 27.1 109.3 20.3 5 15 H L H X S+ 0 0 113 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.939 112.7 50.3 -57.0 -45.1 29.6 108.4 17.6 6 16 H A H X S+ 0 0 26 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.888 112.5 43.4 -63.3 -42.9 30.5 105.2 19.6 7 17 H I H X S+ 0 0 19 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.896 115.0 49.2 -73.2 -37.7 26.9 104.0 20.0 8 18 H Y H X S+ 0 0 157 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.934 112.5 48.2 -67.0 -45.0 26.0 104.7 16.4 9 19 H S H X S+ 0 0 57 -4,-2.7 4,-2.9 -5,-0.3 -1,-0.2 0.884 108.1 56.0 -57.8 -42.7 29.1 102.9 15.2 10 20 H F H X S+ 0 0 13 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.864 104.3 52.0 -61.4 -37.9 28.4 100.0 17.4 11 21 H W H X S+ 0 0 143 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.844 110.7 48.4 -68.0 -33.4 24.9 99.5 15.9 12 22 H I H X S+ 0 0 98 -4,-1.4 4,-2.2 2,-0.2 3,-0.3 0.967 111.2 49.8 -69.5 -50.2 26.4 99.5 12.4 13 23 H F H X S+ 0 0 89 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.893 109.7 53.4 -50.2 -43.0 29.0 97.0 13.5 14 24 H L H X S+ 0 0 18 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.869 105.9 50.5 -66.8 -39.2 26.2 94.9 15.0 15 25 H A H X S+ 0 0 64 -4,-1.8 4,-2.6 -3,-0.3 -1,-0.2 0.953 112.2 48.4 -59.4 -49.8 24.2 94.8 11.7 16 26 H G H X S+ 0 0 40 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.939 112.0 49.9 -53.3 -50.2 27.3 93.6 9.9 17 27 H L H X S+ 0 0 11 -4,-2.7 4,-3.3 2,-0.2 -1,-0.2 0.894 109.3 49.4 -60.4 -43.2 27.9 91.0 12.6 18 28 H I H X S+ 0 0 76 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.921 112.3 50.1 -62.5 -39.9 24.4 89.6 12.4 19 29 H Y H X S+ 0 0 112 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.968 112.1 46.2 -58.1 -55.6 24.8 89.5 8.6 20 30 H Y H X S+ 0 0 84 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.940 114.9 48.5 -50.9 -49.4 28.2 87.6 9.0 21 31 H L H X S+ 0 0 5 -4,-3.3 4,-1.2 1,-0.2 -2,-0.2 0.906 111.9 47.5 -63.5 -43.5 26.6 85.3 11.6 22 32 H Q H < S+ 0 0 16 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.919 113.7 47.4 -64.9 -42.3 23.5 84.5 9.5 23 33 H T H >< S+ 0 0 13 -4,-2.9 3,-2.7 1,-0.2 -2,-0.2 0.963 108.0 55.4 -64.7 -46.7 25.6 83.8 6.4 24 34 H E H >< S+ 0 0 18 -4,-3.0 3,-0.9 1,-0.3 -1,-0.2 0.818 104.8 55.8 -50.5 -30.6 28.0 81.6 8.4 25 35 H N T 3< S+ 0 0 0 -4,-1.2 -1,-0.3 1,-0.2 3,-0.3 0.424 93.8 68.7 -88.2 7.5 24.9 79.6 9.4 26 36 H M T < + 0 0 7 -3,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.186 63.8 105.1-106.4 13.8 23.9 79.0 5.8 27 37 H R S < S+ 0 0 18 -3,-0.9 2,-0.3 38,-0.1 -1,-0.2 0.440 84.4 39.5 -75.2 -1.5 26.9 76.6 5.0 28 38 H E S S+ 0 0 28 -3,-0.3 37,-0.0 37,-0.1 41,-0.0 -0.990 112.3 20.7-143.1 152.6 24.5 73.6 5.2 29 39 H G S S+ 0 0 0 -2,-0.3 216,-2.8 1,-0.2 218,-0.2 0.268 93.3 148.7 81.8 -10.4 20.9 72.9 4.0 30 40 H Y + 0 0 14 -4,-0.4 37,-0.3 214,-0.2 -1,-0.2 -0.816 32.5 55.5-106.4 148.7 21.0 75.8 1.5 31 41 H P S S- 0 0 55 0, 0.0 214,-0.1 0, 0.0 12,-0.1 0.440 89.9-121.1 -75.2 157.8 19.9 76.6 -1.1 32 42 H L - 0 0 13 -2,-0.2 8,-2.4 11,-0.1 2,-0.3 -0.279 31.1-155.5 -64.1 156.8 16.3 76.2 -0.1 33 43 H E B -AB 39 243A 40 210,-2.7 210,-2.5 6,-0.3 2,-0.2 -0.844 15.6-114.3-131.3 159.1 14.2 73.7 -2.1 34 44 H N > - 0 0 45 4,-2.5 3,-1.8 -2,-0.3 6,-0.1 -0.473 53.6 -86.5 -84.2 172.3 10.6 73.0 -2.9 35 45 H E T 3 S+ 0 0 9 1,-0.3 -1,-0.1 -2,-0.2 44,-0.0 0.468 127.2 56.3 -60.1 -0.5 9.0 69.8 -1.6 36 46 H D T 3 S- 0 0 116 2,-0.2 -1,-0.3 212,-0.0 -3,-0.0 0.517 120.0 -96.6-115.4 -9.3 10.3 68.0 -4.8 37 47 H G S < S+ 0 0 40 -3,-1.8 -2,-0.1 1,-0.4 3,-0.1 0.324 81.9 119.2 120.9 -1.7 14.0 68.7 -4.6 38 48 H T S S- 0 0 64 1,-0.1 -4,-2.5 -4,-0.0 -1,-0.4 -0.606 74.7 -82.3-103.5 151.8 14.4 71.7 -6.9 39 49 H P B -A 33 0A 103 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.200 49.3-122.0 -51.4 135.4 15.8 75.2 -5.9 40 50 H A - 0 0 11 -8,-2.4 -8,-0.1 203,-0.1 3,-0.0 -0.462 8.8-130.5 -77.2 155.5 13.0 77.4 -4.4 41 51 H A S S+ 0 0 105 1,-0.2 2,-0.7 -2,-0.1 -1,-0.1 0.978 97.0 57.5 -66.6 -55.6 12.2 80.7 -6.0 42 52 H N + 0 0 131 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 -0.661 57.1 166.1 -83.1 110.9 12.4 82.6 -2.8 43 53 H Q - 0 0 60 -2,-0.7 3,-0.3 1,-0.2 -1,-0.1 0.556 46.6-115.8-100.4 -5.9 15.8 82.3 -1.2 44 54 H G - 0 0 40 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 -0.165 37.0 -71.3 87.5 169.3 15.6 85.1 1.4 45 55 H P S S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.546 105.5 86.0 -79.1 -7.6 17.6 88.3 1.6 46 56 H F - 0 0 73 -3,-0.3 2,-0.1 -24,-0.1 -27,-0.0 -0.816 68.7-144.4 -97.9 131.4 20.9 86.6 2.7 47 57 H P - 0 0 64 0, 0.0 -21,-0.1 0, 0.0 -1,-0.0 -0.413 30.5 -93.2 -78.6 165.3 23.3 85.2 0.1 48 58 H L - 0 0 72 -2,-0.1 2,-0.1 1,-0.1 -24,-0.1 -0.510 46.8-116.1 -70.2 147.3 25.4 82.1 0.6 49 59 H P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.450 36.9 -83.2 -79.9 161.9 28.9 82.8 1.9 50 60 H K - 0 0 180 -2,-0.1 15,-0.1 1,-0.1 0, 0.0 -0.399 63.2 -95.5 -58.3 138.5 32.1 82.1 0.0 51 61 H P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.136 37.4-155.5 -58.6 150.5 33.0 78.4 0.6 52 62 H K E -C 65 0B 35 13,-2.4 13,-2.1 -3,-0.1 2,-0.5 -0.914 9.2-135.9-124.1 156.7 35.4 77.4 3.4 53 63 H T E -C 64 0B 83 -2,-0.3 2,-0.7 11,-0.2 11,-0.2 -0.950 6.7-157.4-125.3 119.9 37.5 74.2 3.5 54 64 H F E -C 63 0B 7 9,-2.9 9,-1.6 -2,-0.5 2,-0.8 -0.817 13.9-144.1 -91.1 117.9 38.0 71.9 6.4 55 65 H I E -C 62 0B 67 -2,-0.7 392,-3.1 390,-0.4 7,-0.2 -0.756 21.5-147.0 -76.4 111.7 41.2 69.8 6.2 56 66 H L - 0 0 10 5,-2.2 5,-0.4 -2,-0.8 3,-0.3 -0.567 13.5-122.1 -77.1 146.1 40.1 66.5 7.8 57 67 H P S > S+ 0 0 27 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.283 87.3 41.9 -82.2 174.2 42.7 64.5 9.8 58 68 H H T 3 S- 0 0 72 1,-0.3 -2,-0.0 57,-0.1 58,-0.0 0.764 127.5 -73.1 57.8 33.5 43.8 60.9 9.1 59 69 H G T 3 S+ 0 0 74 -3,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.651 93.6 138.3 59.1 23.2 43.9 61.5 5.3 60 70 H R < - 0 0 63 -3,-1.4 2,-0.4 1,-0.2 -1,-0.1 0.391 59.6-127.2 -85.7 6.9 40.1 61.5 5.1 61 71 H G - 0 0 35 -5,-0.4 -5,-2.2 2,-0.0 2,-0.3 -0.707 33.6 -56.4 100.5-138.2 40.1 64.5 2.8 62 72 H T E -C 55 0B 75 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.926 27.4-138.3-142.8 166.1 38.3 67.7 3.1 63 73 H L E -C 54 0B 32 -9,-1.6 -9,-2.9 -2,-0.3 2,-0.5 -0.999 17.2-164.1-129.9 130.5 34.8 69.2 3.4 64 74 H T E -C 53 0B 64 -2,-0.4 -11,-0.2 -11,-0.2 -2,-0.0 -0.972 17.4-135.8-117.9 126.4 33.9 72.3 1.5 65 75 H V E S+C 52 0B 9 -13,-2.1 -13,-2.4 -2,-0.5 2,-0.2 -1.000 78.7 30.1-143.6 137.0 30.8 74.3 2.4 66 76 H P S S+ 0 0 20 0, 0.0 -38,-0.1 0, 0.0 -39,-0.1 0.607 91.6 130.3 -72.9 163.0 28.6 75.5 1.1 67 77 H G - 0 0 29 -37,-0.3 -37,-0.1 -2,-0.2 -2,-0.1 -0.939 62.6 -35.1-162.1 179.8 28.6 72.9 -1.8 68 78 H P - 0 0 143 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.207 60.6-145.1 -51.9 127.7 26.3 70.6 -3.8 69 79 H E + 0 0 42 -38,-0.0 2,-0.4 -41,-0.0 3,-0.1 -0.869 27.6 163.4-104.4 120.5 23.6 69.3 -1.4 70 80 H S - 0 0 73 -2,-0.6 176,-0.1 1,-0.1 175,-0.0 -0.983 39.5-147.0-144.0 134.5 22.4 65.8 -1.8 71 81 H E - 0 0 46 -2,-0.4 35,-0.4 174,-0.2 -1,-0.1 0.732 28.4-155.1 -59.9 -26.3 20.5 63.3 0.4 72 82 H D + 0 0 121 1,-0.1 -1,-0.1 33,-0.1 -2,-0.0 0.762 63.5 74.0 44.4 37.3 22.3 60.4 -1.3 73 83 H R S S- 0 0 28 2,-0.0 -2,-0.1 33,-0.0 -1,-0.1 -0.954 87.9 -96.9-164.4 150.1 19.5 58.1 -0.4 74 84 H P - 0 0 117 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.398 32.5-148.0 -64.7 149.9 15.9 57.2 -1.5 75 85 H I - 0 0 45 2,-0.1 2,-2.6 -2,-0.0 23,-0.1 -0.877 1.2-152.6-127.5 102.3 13.2 58.9 0.6 76 86 H A + 0 0 23 -2,-0.5 15,-2.7 21,-0.4 16,-0.6 -0.271 55.2 113.0 -75.7 60.1 10.0 56.8 0.9 77 87 H L E -D 90 0C 12 -2,-2.6 2,-0.3 13,-0.3 -2,-0.1 -0.921 42.3-167.5-124.0 154.0 7.5 59.7 1.4 78 88 H A E -D 89 0C 43 11,-2.3 11,-1.6 -2,-0.3 -2,-0.0 -0.992 31.3 -93.4-139.4 152.4 4.7 61.0 -0.7 79 89 H R E -D 88 0C 106 -2,-0.3 9,-0.2 9,-0.2 3,-0.1 -0.159 22.4-165.9 -56.8 148.6 2.5 64.2 -0.6 80 90 H T S S+ 0 0 79 7,-0.7 2,-0.3 3,-0.2 -1,-0.1 0.326 71.5 35.7-116.2 2.2 -0.8 64.1 1.2 81 91 H A S S- 0 0 32 2,-0.2 -1,-0.1 6,-0.1 5,-0.1 -0.962 76.3-119.0-152.4 163.3 -2.2 67.3 -0.3 82 92 H V S S+ 0 0 142 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.0 0.652 91.2 63.0 -85.3 -14.8 -2.2 69.3 -3.5 83 93 H S S > S- 0 0 65 1,-0.1 3,-0.5 -3,-0.0 -3,-0.2 -0.637 90.5 -88.3-108.6 166.1 -0.5 72.4 -2.0 84 94 H E T 3 S+ 0 0 87 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.252 97.2 41.1 -56.7 148.0 2.8 73.3 -0.3 85 95 H G T 3 S+ 0 0 8 1,-0.3 181,-3.2 180,-0.1 -1,-0.2 0.560 78.8 115.1 96.6 12.8 3.3 72.9 3.4 86 96 H F < - 0 0 75 -3,-0.5 -1,-0.3 179,-0.2 179,-0.2 -0.676 68.5 -86.8-109.8 167.3 1.6 69.6 4.4 87 97 H P - 0 0 10 0, 0.0 -7,-0.7 0, 0.0 2,-0.6 -0.290 34.1-130.9 -68.7 156.0 3.0 66.4 5.9 88 98 H H E -D 79 0C 1 163,-2.7 -9,-0.2 160,-0.2 -8,-0.0 -0.945 20.8-133.4-113.1 115.9 4.4 63.7 3.6 89 99 H A E -D 78 0C 34 -11,-1.6 -11,-2.3 -2,-0.6 2,-0.1 -0.412 22.7-110.6 -68.8 137.9 3.1 60.2 4.3 90 100 H P E -D 77 0C 38 0, 0.0 -13,-0.3 0, 0.0 -1,-0.1 -0.492 20.6-154.8 -61.9 139.0 5.5 57.2 4.5 91 101 H T S S+ 0 0 98 -15,-2.7 -14,-0.1 -2,-0.1 2,-0.1 0.591 77.4 13.1 -92.7 -16.4 5.0 54.9 1.5 92 102 H G S S- 0 0 42 -16,-0.6 3,-0.1 0, 0.0 0, 0.0 -0.222 120.3 -39.4-124.5-142.8 6.4 51.9 3.3 93 103 H D > - 0 0 62 1,-0.1 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