==== 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 2UX3 . 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) . 34213.0 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 . 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 . 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 . 98 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 333 40.5 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 2 0 4 1 0 0 0 1 1 0 2 0 0 3 0 0 0 0 1 1 1 2 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 . 8 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 87 0, 0.0 4,-2.0 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 127.6 29.5 114.1 20.8 2 12 H L H > + 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.786 360.0 53.0 -58.6 -35.5 31.8 111.1 21.1 3 13 H A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.842 109.1 50.8 -72.1 -34.0 29.3 108.8 22.9 4 14 H S H > S+ 0 0 30 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.887 110.7 48.3 -64.8 -44.4 26.8 109.4 20.1 5 15 H L H X S+ 0 0 106 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.927 111.7 50.8 -61.6 -44.8 29.4 108.6 17.5 6 16 H A H X S+ 0 0 27 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.917 112.9 44.1 -60.5 -44.6 30.3 105.4 19.5 7 17 H I H X S+ 0 0 21 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.888 114.1 48.9 -72.3 -38.9 26.7 104.2 19.8 8 18 H Y H X S+ 0 0 156 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.922 113.9 48.0 -62.1 -46.5 25.8 105.0 16.2 9 19 H S H X S+ 0 0 58 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.880 107.7 55.2 -59.8 -42.7 29.0 103.1 15.1 10 20 H F H X S+ 0 0 14 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.894 105.2 52.6 -61.5 -42.0 28.2 100.1 17.3 11 21 H W H X S+ 0 0 140 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.840 109.7 48.9 -61.7 -34.8 24.8 99.7 15.7 12 22 H I H X S+ 0 0 94 -4,-1.4 4,-2.3 2,-0.2 3,-0.3 0.970 112.1 48.3 -68.2 -50.7 26.5 99.7 12.3 13 23 H F H X S+ 0 0 84 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.918 110.4 53.0 -49.6 -48.7 29.0 97.1 13.5 14 24 H L H X S+ 0 0 20 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.856 106.9 50.4 -62.5 -37.6 26.2 95.0 14.9 15 25 H A H X S+ 0 0 64 -4,-1.7 4,-2.1 -3,-0.3 -1,-0.2 0.933 112.9 47.0 -64.7 -44.2 24.2 94.9 11.7 16 26 H G H X S+ 0 0 42 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.887 111.6 52.1 -60.8 -40.4 27.4 93.8 9.8 17 27 H L H X S+ 0 0 11 -4,-2.7 4,-3.1 -5,-0.2 -2,-0.2 0.917 109.1 47.8 -63.4 -45.0 28.0 91.2 12.5 18 28 H I H X S+ 0 0 74 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.900 111.5 52.5 -63.5 -40.0 24.5 89.7 12.2 19 29 H Y H X S+ 0 0 113 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.959 111.5 45.4 -57.0 -54.5 25.0 89.7 8.5 20 30 H Y H X S+ 0 0 83 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.916 115.2 48.4 -54.2 -46.5 28.2 87.8 8.9 21 31 H L H X S+ 0 0 5 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.928 111.2 48.7 -64.1 -45.3 26.6 85.4 11.5 22 32 H Q H < S+ 0 0 16 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.927 114.0 45.8 -63.6 -43.6 23.6 84.7 9.4 23 33 H T H >< S+ 0 0 11 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.903 108.7 55.6 -67.9 -41.3 25.6 83.9 6.2 24 34 H E H >< S+ 0 0 18 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.889 104.5 55.9 -51.8 -39.0 28.1 81.7 8.2 25 35 H N T 3< S+ 0 0 0 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.417 95.0 68.1 -80.9 8.0 25.0 79.7 9.3 26 36 H M T < + 0 0 5 -3,-1.9 4,-0.4 1,-0.2 -1,-0.3 0.157 64.5 103.3-107.7 18.0 24.1 79.1 5.7 27 37 H R S < S+ 0 0 20 -3,-1.1 2,-0.3 38,-0.1 40,-0.2 0.477 84.2 44.1 -80.4 -5.0 27.1 76.8 4.9 28 38 H E S S+ 0 0 29 -3,-0.3 -1,-0.1 37,-0.1 37,-0.0 -0.997 112.9 14.7-137.1 141.0 24.7 73.8 5.1 29 39 H G S S+ 0 0 0 -2,-0.3 216,-2.7 1,-0.3 218,-0.2 0.314 92.0 146.0 89.3 -7.4 21.3 73.1 3.8 30 40 H Y + 0 0 13 -4,-0.4 -1,-0.3 214,-0.2 37,-0.3 -0.750 32.6 62.8-105.5 158.6 21.1 76.0 1.3 31 41 H P S S- 0 0 60 0, 0.0 214,-0.1 0, 0.0 38,-0.1 0.542 89.9-120.1 -66.1 154.9 20.1 76.8 -1.3 32 42 H L - 0 0 12 -2,-0.2 8,-2.0 212,-0.1 2,-0.3 -0.222 33.4-153.2 -59.6 157.0 16.5 76.4 -0.2 33 43 H E B -AB 39 243A 42 210,-2.7 210,-1.9 6,-0.3 2,-0.2 -0.894 14.5-115.9-135.1 154.7 14.4 73.9 -2.1 34 44 H N > - 0 0 44 4,-2.8 3,-2.3 -2,-0.3 6,-0.1 -0.473 51.2 -91.7 -79.7 167.1 10.8 73.1 -3.1 35 45 H E T 3 S+ 0 0 10 1,-0.3 -1,-0.1 -2,-0.2 44,-0.0 0.616 126.8 58.7 -55.7 -11.9 9.3 69.9 -1.9 36 46 H D T 3 S- 0 0 117 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.454 119.9-103.9-100.7 -2.3 10.5 68.2 -5.1 37 47 H G S < S+ 0 0 39 -3,-2.3 -2,-0.1 1,-0.4 3,-0.1 0.340 80.6 124.0 101.3 -4.2 14.2 69.0 -4.6 38 48 H T S S- 0 0 63 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.4 -0.487 74.6 -80.4 -84.7 158.3 14.5 71.8 -7.1 39 49 H P B -A 33 0A 100 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.353 47.5-124.7 -57.8 128.8 15.8 75.3 -6.1 40 50 H A - 0 0 10 -8,-2.0 -8,-0.1 203,-0.2 3,-0.1 -0.394 11.0-129.6 -70.2 153.7 13.1 77.5 -4.5 41 51 H A S S+ 0 0 105 1,-0.2 2,-0.8 -2,-0.1 -1,-0.1 0.941 95.1 59.0 -68.9 -48.9 12.4 80.8 -6.1 42 52 H N + 0 0 127 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.1 -0.739 52.6 164.1 -90.2 107.8 12.7 82.8 -2.8 43 53 H Q - 0 0 59 -2,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.514 48.2-121.6 -94.5 -7.5 16.1 82.4 -1.2 44 54 H G - 0 0 37 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 -0.195 37.1 -64.4 84.0 175.6 15.7 85.4 1.1 45 55 H P S S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.557 107.1 86.7 -79.3 -10.2 17.9 88.5 1.4 46 56 H F - 0 0 68 -3,-0.3 2,-0.2 -24,-0.1 -27,-0.0 -0.813 68.0-148.0 -94.3 127.1 21.1 86.7 2.7 47 57 H P - 0 0 66 0, 0.0 -21,-0.1 0, 0.0 -3,-0.0 -0.635 30.9 -90.1 -87.2 152.9 23.4 85.4 -0.1 48 58 H L - 0 0 74 -2,-0.2 -24,-0.1 1,-0.1 -25,-0.1 -0.300 47.6-119.2 -55.5 140.5 25.6 82.2 0.3 49 59 H P - 0 0 21 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.354 37.2 -81.3 -76.8 163.2 29.0 83.0 1.8 50 60 H K - 0 0 183 1,-0.1 15,-0.1 -2,-0.1 0, 0.0 -0.394 63.4 -94.3 -58.4 141.5 32.3 82.3 -0.1 51 61 H P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.212 37.4-158.1 -61.0 146.8 33.2 78.6 0.4 52 62 H K E -C 65 0B 33 13,-2.6 13,-2.2 -3,-0.1 2,-0.5 -0.899 7.9-141.1-119.9 157.3 35.6 77.5 3.2 53 63 H T E -C 64 0B 80 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.982 5.5-157.3-126.1 124.6 37.5 74.3 3.3 54 64 H F E -C 63 0B 9 9,-2.9 9,-1.9 -2,-0.5 2,-0.8 -0.863 15.6-139.2 -95.5 126.4 38.1 72.1 6.3 55 65 H I E -C 62 0B 66 -2,-0.5 392,-3.3 390,-0.4 7,-0.2 -0.798 20.9-143.2 -84.5 114.8 41.2 69.9 6.2 56 66 H L E > -C 61 0B 10 5,-2.6 5,-0.5 -2,-0.8 3,-0.4 -0.556 17.4-117.3 -77.3 140.9 40.1 66.5 7.7 57 67 H P T > 5S+ 0 0 27 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.236 88.8 32.6 -72.9 166.1 42.7 64.6 9.8 58 68 H H T 3 5S- 0 0 70 1,-0.3 -2,-0.0 2,-0.1 58,-0.0 0.765 128.3 -67.4 59.7 35.5 44.1 61.2 8.9 59 69 H G T 3 5S+ 0 0 78 -3,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.699 95.3 135.9 60.2 23.8 43.9 61.6 5.1 60 70 H R T < 5 - 0 0 39 -3,-1.3 2,-0.3 1,-0.3 -1,-0.1 0.492 62.2-125.8 -80.6 -4.2 40.1 61.7 5.2 61 71 H G E < -C 56 0B 35 -5,-0.5 -5,-2.6 2,-0.0 2,-0.3 -0.727 30.4 -61.1 107.4-149.6 40.1 64.6 2.8 62 72 H T E -C 55 0B 84 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.881 28.6-139.6-132.9 170.4 38.5 68.0 3.0 63 73 H L E -C 54 0B 44 -9,-1.9 -9,-2.9 -2,-0.3 2,-0.5 -0.998 14.5-164.4-132.0 130.5 35.0 69.5 3.3 64 74 H T E -C 53 0B 61 -2,-0.4 -11,-0.2 -11,-0.2 -2,-0.0 -0.968 19.0-134.2-119.1 127.7 34.1 72.6 1.3 65 75 H V E S+C 52 0B 6 -13,-2.2 -13,-2.6 -2,-0.5 2,-0.2 -0.999 78.8 31.9-144.0 138.9 31.0 74.5 2.3 66 76 H P S S+ 0 0 22 0, 0.0 -38,-0.1 0, 0.0 -39,-0.1 0.540 89.9 138.5 -69.5 158.2 28.8 75.7 1.0 67 77 H G - 0 0 28 -37,-0.3 2,-0.1 -40,-0.2 -37,-0.1 -0.917 59.2 -46.4-151.6-176.0 28.7 73.1 -1.8 68 78 H P - 0 0 140 0, 0.0 2,-0.4 0, 0.0 -38,-0.0 -0.350 58.9-147.1 -60.5 124.3 26.3 71.0 -3.9 69 79 H E + 0 0 44 -2,-0.1 2,-0.3 -38,-0.1 3,-0.1 -0.806 28.1 156.3 -98.4 133.7 23.7 69.4 -1.5 70 80 H S - 0 0 74 -2,-0.4 176,-0.1 1,-0.1 175,-0.0 -0.957 42.4-136.0-150.7 146.9 22.2 66.0 -2.1 71 81 H E - 0 0 42 -2,-0.3 35,-0.4 174,-0.2 -1,-0.1 0.772 28.4-151.5 -64.7 -32.5 20.6 63.4 0.2 72 82 H D + 0 0 122 1,-0.1 -1,-0.1 33,-0.1 -2,-0.0 0.812 67.7 71.4 56.0 39.4 22.5 60.5 -1.4 73 83 H R S S- 0 0 30 2,-0.0 2,-0.2 33,-0.0 -1,-0.1 -0.927 89.6 -95.9-169.7 149.3 19.7 58.1 -0.5 74 84 H P - 0 0 116 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.560 30.4-145.8 -71.0 143.6 16.1 57.4 -1.6 75 85 H I - 0 0 45 -2,-0.2 2,-2.5 2,-0.1 23,-0.1 -0.917 3.1-150.7-116.9 104.9 13.4 59.0 0.6 76 86 H A + 0 0 22 -2,-0.6 15,-2.6 21,-0.4 16,-0.6 -0.325 56.7 111.7 -75.0 61.6 10.3 56.8 0.8 77 87 H L E -D 90 0C 13 -2,-2.5 2,-0.3 13,-0.3 -2,-0.1 -0.936 42.8-167.0-130.3 155.9 7.8 59.7 1.2 78 88 H A E -D 89 0C 45 11,-1.9 11,-2.1 -2,-0.3 -2,-0.0 -0.998 31.2 -94.4-143.9 149.4 4.9 61.2 -0.8 79 89 H R E -D 88 0C 108 -2,-0.3 9,-0.2 9,-0.2 3,-0.1 -0.153 21.6-166.6 -50.8 145.9 2.7 64.4 -0.8 80 90 H T S S+ 0 0 79 7,-0.9 2,-0.3 3,-0.2 -1,-0.1 0.346 72.2 42.4-112.6 0.5 -0.6 64.2 1.0 81 91 H A S S- 0 0 29 2,-0.2 5,-0.1 6,-0.1 4,-0.1 -0.938 78.5-120.2-146.0 159.9 -1.9 67.4 -0.5 82 92 H V S S+ 0 0 144 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.0 0.466 92.2 51.9 -85.7 -3.5 -2.0 69.3 -3.8 83 93 H S S > S- 0 0 67 1,-0.1 3,-0.6 0, 0.0 -2,-0.2 -0.822 92.4 -79.9-128.2 172.0 -0.1 72.4 -2.4 84 94 H E T 3 S+ 0 0 81 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.193 97.5 41.0 -63.0 150.1 3.0 73.3 -0.4 85 95 H G T 3 S+ 0 0 7 1,-0.3 181,-3.0 180,-0.1 -1,-0.2 0.491 79.8 114.7 98.3 5.5 3.4 73.0 3.4 86 96 H F < - 0 0 78 -3,-0.6 -1,-0.3 179,-0.2 179,-0.2 -0.613 69.7 -89.4-103.2 166.0 1.7 69.8 4.2 87 97 H P - 0 0 11 0, 0.0 -7,-0.9 0, 0.0 2,-0.5 -0.303 31.9-130.7 -69.8 159.2 3.2 66.5 5.6 88 98 H H E -D 79 0C 0 163,-2.7 -9,-0.2 160,-0.2 3,-0.0 -0.963 22.1-134.0-117.4 120.4 4.5 63.8 3.4 89 99 H A E -D 78 0C 35 -11,-2.1 -11,-1.9 -2,-0.5 2,-0.1 -0.510 23.2-106.2 -80.9 137.7 3.3 60.3 4.2 90 100 H P E -D 77 0C 38 0, 0.0 -13,-0.3 0, 0.0 -1,-0.1 -0.427 22.7-154.3 -54.7 134.6 5.7 57.3 4.5 91 101 H T S S+ 0 0 95 -15,-2.6 -14,-0.1 2,-0.1 2,-0.1 0.775 78.3 5.9 -85.0 -30.5 5.2 55.1 1.4 92 102 H G S S- 0 0 43 -16,-0.6 3,-0.1 1,-0.1 0, 0.0 -0.024 122.4 -34.0-115.1-135.0 6.4 51.9 3.2 93 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X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.907 111.3 45.4 -79.3 -41.9 19.7 68.2 11.1 770 247 M R H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.881 112.7 52.5 -66.6 -37.6 17.1 67.7 13.8 771 248 M A H X S+ 0 0 11 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.954 112.4 44.9 -56.7 -56.0 18.6 70.5 15.8 772 249 M A H X S+ 0 0 9 -4,-1.9 4,-2.2 1,-0.2 3,-0.2 0.912 114.4 48.0 -52.6 -49.0 18.5 72.9 12.9 773 250 M L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.816 102.2 62.9 -72.7 -31.7 14.9 71.9 12.0 774 251 M F H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.932 112.6 37.3 -50.9 -48.3 13.7 72.2 15.6 775 252 M W H X>S+ 0 0 30 -4,-1.4 4,-2.9 -3,-0.2 6,-0.8 0.831 113.3 55.3 -77.9 -33.7 14.6 75.9 15.4 776 253 M R H X5S+ 0 0 16 -4,-2.2 4,-1.6 4,-0.2 -2,-0.2 0.942 113.0 43.6 -63.9 -44.4 13.5 76.5 11.8 777 254 M W H <5S+ 0 0 0 -4,-2.8 -506,-2.3 -507,-0.2 -2,-0.2 0.846 119.5 43.6 -68.5 -35.0 10.1 75.1 12.6 778 255 M T H <5S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.2 0.960 137.2 4.3 -73.1 -55.8 9.9 77.1 15.9 779 256 M M H 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