==== 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 2UXK . 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) . 34003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 581 70.6 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 . 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 . 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 . 98 11.9 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 . 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 3 0 4 1 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 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 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 95 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 131.9 -58.1 -38.8 -154.5 2 12 H L H > + 0 0 95 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.827 360.0 55.1 -69.0 -34.4 -58.7 -35.0 -154.1 3 13 H A H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.874 107.9 51.6 -66.4 -36.1 -55.2 -34.2 -152.8 4 14 H S H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.930 111.0 46.2 -61.5 -50.2 -53.7 -36.0 -155.9 5 15 H L H X S+ 0 0 105 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.869 112.8 52.5 -60.1 -39.2 -55.9 -33.9 -158.2 6 16 H A H X S+ 0 0 23 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.945 112.3 42.4 -62.5 -49.6 -54.9 -30.8 -156.2 7 17 H I H X S+ 0 0 24 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.870 115.1 49.9 -70.5 -36.7 -51.1 -31.4 -156.5 8 18 H Y H X S+ 0 0 168 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.932 111.7 49.5 -63.5 -46.3 -51.3 -32.4 -160.1 9 19 H S H X S+ 0 0 60 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.888 107.9 54.8 -59.8 -41.0 -53.3 -29.3 -160.9 10 20 H F H X S+ 0 0 16 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.881 105.0 51.2 -61.5 -42.5 -50.8 -27.1 -159.0 11 21 H W H X S+ 0 0 143 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.839 111.1 49.2 -66.2 -30.6 -47.9 -28.3 -161.1 12 22 H I H X S+ 0 0 100 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.954 112.3 47.6 -71.8 -48.7 -49.8 -27.5 -164.2 13 23 H F H X S+ 0 0 84 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.932 111.0 53.2 -50.0 -48.7 -50.6 -24.1 -162.9 14 24 H L H X S+ 0 0 21 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.887 106.3 49.6 -61.5 -44.6 -47.0 -23.6 -161.9 15 25 H A H X S+ 0 0 64 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.913 112.9 49.7 -59.8 -43.0 -45.6 -24.4 -165.4 16 26 H G H X S+ 0 0 41 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.875 110.1 50.3 -58.3 -42.9 -48.1 -21.9 -166.8 17 27 H L H X S+ 0 0 10 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.929 109.9 49.9 -62.5 -45.0 -47.0 -19.3 -164.3 18 28 H I H X S+ 0 0 71 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.895 110.5 50.4 -63.5 -38.3 -43.4 -19.8 -165.1 19 29 H Y H X S+ 0 0 113 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.946 112.6 46.5 -62.0 -50.2 -44.2 -19.4 -168.8 20 30 H Y H X S+ 0 0 80 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.923 114.8 47.7 -55.2 -48.7 -46.1 -16.2 -168.1 21 31 H L H X S+ 0 0 5 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.888 110.9 49.0 -64.6 -44.9 -43.3 -14.9 -165.9 22 32 H Q H < S+ 0 0 14 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.925 113.4 46.7 -63.8 -40.4 -40.5 -15.6 -168.4 23 33 H T H >< S+ 0 0 12 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.895 108.1 56.0 -71.0 -35.8 -42.4 -14.0 -171.3 24 34 H E H >< S+ 0 0 17 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.888 105.4 55.0 -56.8 -35.6 -43.2 -11.0 -169.1 25 35 H N T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.338 94.6 68.5 -85.2 10.4 -39.4 -10.8 -168.6 26 36 H M T < + 0 0 7 -3,-1.9 4,-0.4 1,-0.1 -1,-0.2 0.203 63.6 103.0-110.5 15.5 -38.7 -10.7 -172.4 27 37 H R S < S+ 0 0 20 -3,-1.0 2,-0.4 38,-0.1 40,-0.3 0.644 84.7 44.0 -71.0 -15.9 -40.2 -7.2 -173.0 28 38 H E S S+ 0 0 29 -3,-0.2 -1,-0.0 37,-0.1 37,-0.0 -0.984 113.8 17.4-126.9 143.6 -36.7 -5.7 -173.1 29 39 H G S S+ 0 0 0 -2,-0.4 216,-2.6 1,-0.2 218,-0.2 0.254 91.8 149.4 90.2 -11.9 -33.6 -7.0 -174.9 30 40 H Y + 0 0 14 -4,-0.4 37,-0.3 214,-0.2 -1,-0.2 -0.794 34.4 57.4-110.0 155.6 -35.3 -9.5 -177.3 31 41 H P S S- 0 0 62 0, 0.0 214,-0.1 0, 0.0 12,-0.1 0.427 89.0-121.8 -66.9 155.6 -35.1 -10.8 -179.9 32 42 H L - 0 0 14 -2,-0.2 8,-2.3 212,-0.1 2,-0.3 -0.265 32.0-147.8 -63.5 157.3 -31.7 -12.3 -179.2 33 43 H E B -AB 39 243A 43 210,-2.6 210,-1.5 6,-0.3 5,-0.1 -0.953 13.6-118.9-135.8 146.3 -28.9 -11.3 -181.6 34 44 H N > - 0 0 50 4,-2.8 3,-2.1 -2,-0.3 6,-0.1 -0.315 51.8 -93.8 -69.8 166.8 -25.8 -12.6 -183.1 35 45 H E T 3 S+ 0 0 7 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 0.528 125.8 58.2 -66.7 -3.8 -22.7 -10.6 -182.3 36 46 H D T 3 S- 0 0 112 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.337 121.4-102.4-105.8 5.5 -23.1 -8.6 -185.5 37 47 H G S < S+ 0 0 40 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.313 79.6 128.9 97.1 -7.4 -26.6 -7.4 -184.6 38 48 H T S S- 0 0 64 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.450 73.0 -85.4 -76.3 152.9 -28.6 -9.7 -186.8 39 49 H P B -A 33 0A 101 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.382 49.7-117.3 -59.9 131.1 -31.5 -11.7 -185.3 40 50 H A - 0 0 10 -8,-2.3 -8,-0.1 203,-0.2 3,-0.1 -0.369 10.7-132.3 -68.9 149.2 -30.2 -15.0 -183.7 41 51 H A S S+ 0 0 109 1,-0.2 2,-0.8 -2,-0.1 -1,-0.1 0.908 95.7 57.2 -69.7 -42.7 -31.4 -18.3 -185.2 42 52 H N + 0 0 133 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 -0.808 56.1 168.4 -96.1 108.4 -32.2 -19.8 -181.8 43 53 H Q - 0 0 59 -2,-0.8 3,-0.2 1,-0.3 -1,-0.1 0.418 47.3-117.9 -96.2 1.2 -34.7 -17.7 -179.9 44 54 H G - 0 0 39 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 -0.112 38.4 -67.2 81.0 175.9 -35.4 -20.3 -177.2 45 55 H P S S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.630 108.4 82.7 -80.0 -15.3 -38.7 -22.0 -176.4 46 56 H F - 0 0 69 -3,-0.2 2,-0.2 -24,-0.0 -27,-0.0 -0.788 69.3-145.9 -93.4 130.4 -40.5 -18.8 -175.0 47 57 H P - 0 0 63 0, 0.0 -21,-0.1 0, 0.0 -3,-0.0 -0.550 30.9 -90.8 -86.6 158.5 -42.1 -16.4 -177.5 48 58 H L - 0 0 76 -2,-0.2 -24,-0.1 1,-0.1 -25,-0.1 -0.372 47.4-118.8 -62.0 144.4 -42.3 -12.6 -177.1 49 59 H P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.366 36.7 -81.0 -78.0 166.8 -45.5 -11.5 -175.3 50 60 H K - 0 0 186 1,-0.1 15,-0.1 -2,-0.1 -23,-0.0 -0.428 61.8 -96.5 -61.7 138.8 -48.1 -9.2 -176.8 51 61 H P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.152 37.0-159.2 -59.0 152.2 -47.0 -5.5 -176.5 52 62 H K E -C 65 0B 38 13,-2.3 13,-2.0 -3,-0.1 2,-0.5 -0.948 8.9-137.3-127.2 157.3 -48.1 -3.4 -173.6 53 63 H T E -C 64 0B 82 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.957 7.0-157.5-122.7 119.3 -48.2 0.4 -173.5 54 64 H F E -C 63 0B 10 9,-3.0 9,-2.1 -2,-0.5 2,-0.8 -0.790 13.8-142.7 -86.3 130.4 -47.2 2.5 -170.5 55 65 H I E -C 62 0B 64 -2,-0.5 392,-3.1 390,-0.4 7,-0.2 -0.863 20.6-143.2 -91.5 111.4 -48.6 6.0 -170.4 56 66 H L - 0 0 21 5,-2.3 5,-0.5 -2,-0.8 3,-0.4 -0.484 15.4-120.3 -76.0 143.3 -45.9 8.3 -169.0 57 67 H P S > S+ 0 0 27 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.237 87.9 38.1 -75.1 171.2 -46.9 11.1 -166.7 58 68 H H T 3 S- 0 0 67 1,-0.3 -2,-0.0 57,-0.1 58,-0.0 0.797 128.3 -70.1 60.0 33.6 -46.2 14.9 -167.3 59 69 H G T 3 S+ 0 0 76 -3,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.665 94.8 138.3 59.6 19.8 -46.9 14.6 -171.1 60 70 H R < - 0 0 39 -3,-1.6 2,-0.3 1,-0.2 -1,-0.1 0.519 59.9-124.8 -74.8 -2.8 -43.7 12.6 -171.6 61 71 H G - 0 0 34 -5,-0.5 -5,-2.3 2,-0.0 2,-0.3 -0.770 32.5 -57.8 104.9-145.7 -45.4 10.2 -174.0 62 72 H T E -C 55 0B 93 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.936 28.2-142.3-139.7 161.5 -45.8 6.4 -174.0 63 73 H L E -C 54 0B 43 -9,-2.1 -9,-3.0 -2,-0.3 2,-0.5 -0.993 12.4-165.9-128.6 127.1 -43.6 3.3 -173.9 64 74 H T E -C 53 0B 60 -2,-0.4 -11,-0.2 -11,-0.2 -2,-0.0 -0.954 18.3-140.1-115.7 122.3 -44.5 0.2 -175.9 65 75 H V E S+C 52 0B 11 -13,-2.0 -13,-2.3 -2,-0.5 2,-0.1 -0.996 77.4 32.9-137.5 138.9 -42.7 -3.1 -175.1 66 76 H P S S+ 0 0 18 0, 0.0 -38,-0.1 0, 0.0 -1,-0.1 0.599 91.8 132.4 -71.1 160.3 -41.7 -5.3 -176.6 67 77 H G - 0 0 30 -40,-0.3 -37,-0.1 -37,-0.3 -2,-0.0 -0.939 60.4 -40.5-159.5 179.2 -40.8 -3.1 -179.6 68 78 H P - 0 0 140 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.277 61.6-147.4 -55.3 125.3 -38.0 -2.3 -182.2 69 79 H E + 0 0 56 -38,-0.0 2,-0.3 -40,-0.0 -41,-0.0 -0.829 28.4 151.8-108.2 131.3 -34.7 -2.3 -180.4 70 80 H S - 0 0 73 -2,-0.4 176,-0.1 1,-0.1 175,-0.0 -0.978 42.8-134.0-154.9 146.5 -31.6 -0.2 -181.0 71 81 H E - 0 0 42 -2,-0.3 35,-0.6 174,-0.2 -1,-0.1 0.877 28.6-151.9 -63.3 -41.5 -28.7 1.2 -179.0 72 82 H D + 0 0 121 1,-0.2 -1,-0.1 33,-0.1 -2,-0.0 0.860 67.0 75.4 62.8 40.4 -28.9 4.7 -180.5 73 83 H R S S- 0 0 31 33,-0.0 2,-0.2 32,-0.0 -1,-0.2 -0.935 86.8-101.1-165.5 154.2 -25.2 5.3 -180.0 74 84 H P - 0 0 111 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.608 29.7-144.0 -80.9 147.5 -21.9 4.2 -181.7 75 85 H I - 0 0 38 -2,-0.2 2,-2.5 2,-0.1 23,-0.1 -0.913 0.4-152.7-119.3 106.6 -19.9 1.4 -179.9 76 86 H A + 0 0 25 -2,-0.6 15,-1.8 21,-0.3 16,-0.5 -0.404 57.2 110.9 -79.6 68.0 -16.2 1.6 -180.1 77 87 H L E -D 90 0C 12 -2,-2.5 2,-0.3 13,-0.3 -2,-0.1 -0.967 46.2-160.4-135.6 155.0 -15.4 -2.1 -179.9 78 88 H A E -D 89 0C 44 11,-2.2 11,-2.1 -2,-0.3 -2,-0.0 -0.999 30.0 -97.5-138.7 141.8 -14.1 -4.8 -182.3 79 89 H R E -D 88 0C 98 -2,-0.3 9,-0.2 9,-0.2 3,-0.1 -0.188 20.7-165.1 -48.4 136.4 -14.2 -8.6 -182.4 80 90 H T S S+ 0 0 78 7,-1.3 2,-0.3 1,-0.2 -1,-0.1 0.389 75.4 31.4-100.4 -2.0 -11.1 -10.4 -181.1 81 91 H A - 0 0 29 6,-0.2 -1,-0.2 5,-0.1 5,-0.1 -0.995 67.8-132.3-156.5 152.3 -12.2 -13.6 -182.7 82 92 H V S S+ 0 0 146 -2,-0.3 -1,-0.1 -3,-0.1 2,-0.1 0.883 91.1 67.8 -74.5 -43.1 -14.0 -15.0 -185.7 83 93 H S S S- 0 0 66 1,-0.1 3,-0.5 2,-0.0 -2,-0.1 -0.411 94.2-100.0 -73.9 156.4 -16.2 -17.4 -183.7 84 94 H E S S+ 0 0 78 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.181 93.0 53.1 -66.7 161.6 -18.9 -16.2 -181.3 85 95 H G S S+ 0 0 7 1,-0.3 181,-3.1 180,-0.1 -1,-0.2 0.414 78.1 110.8 97.4 1.2 -18.4 -16.0 -177.5 86 96 H F S S- 0 0 75 -3,-0.5 -1,-0.3 179,-0.2 179,-0.1 -0.668 71.0 -88.2-107.1 160.9 -15.2 -14.0 -177.2 87 97 H P - 0 0 12 0, 0.0 -7,-1.3 0, 0.0 2,-0.5 -0.125 27.6-133.6 -59.2 158.4 -14.7 -10.4 -175.9 88 98 H H E -D 79 0C 2 163,-2.8 -9,-0.2 160,-0.2 0, 0.0 -0.993 26.8-138.8-112.9 120.8 -14.9 -7.3 -178.0 89 99 H A E -D 78 0C 32 -11,-2.1 -11,-2.2 -2,-0.5 2,-0.1 -0.539 19.6-103.8 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