==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 14-DEC-11 3V3Z . COMPND 2 MOLECULE: REACTION CENTER PROTEIN H CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR A.G.GABDULKHAKOV,T.Y.FUFINA,L.G.VASILIEVA,V.A.SHUVALOV . 824 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 70.9 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 . 56 6.8 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 . 5 0.6 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 . 33 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.5 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 5 1 3 1 0 0 0 1 1 0 2 0 0 3 0 0 1 0 0 1 0 2 2 1 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 . 5 1 5 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 0 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 10 H F 0 0 243 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 30.2 -42.1 5.1 12.7 2 11 H D > - 0 0 43 1,-0.1 4,-1.4 4,-0.0 3,-0.3 -0.311 360.0 -98.9 -81.3 169.8 -40.3 6.3 9.5 3 12 H L H >> S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 3,-1.2 0.938 119.5 52.1 -57.6 -53.3 -38.2 9.4 9.2 4 13 H A H 3> S+ 0 0 1 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.833 106.9 54.6 -54.3 -38.1 -40.9 11.7 7.6 5 14 H S H 3> S+ 0 0 33 -3,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.809 111.9 45.2 -64.9 -32.8 -43.4 10.8 10.4 6 15 H L H XX S+ 0 0 102 -4,-1.4 4,-3.0 -3,-1.2 3,-0.6 0.984 109.2 53.2 -68.9 -63.9 -40.8 11.9 12.9 7 16 H A H 3X S+ 0 0 24 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.786 111.1 48.1 -41.1 -40.8 -39.8 15.1 11.2 8 17 H I H 3X S+ 0 0 21 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.904 112.1 45.9 -73.6 -44.8 -43.5 16.2 11.0 9 18 H Y H X S+ 0 0 96 -4,-1.4 4,-1.9 2,-0.2 3,-0.8 0.977 110.4 50.5 -74.9 -63.4 -44.0 20.8 18.4 14 23 H F H 3X S+ 0 0 94 -4,-2.4 4,-2.6 1,-0.2 3,-0.5 0.897 108.8 55.6 -32.8 -58.6 -41.2 23.3 17.3 15 24 H L H 3X S+ 0 0 23 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.848 104.1 50.9 -49.6 -46.5 -44.0 25.5 15.8 16 25 H A H < S+ 0 0 14 -4,-3.0 3,-2.3 1,-0.2 -2,-0.2 0.925 109.5 57.4 -64.8 -45.9 -44.3 36.4 24.8 25 34 H E H >< S+ 0 0 19 -4,-3.4 3,-1.0 -5,-0.3 763,-0.3 0.861 103.8 54.5 -49.3 -38.2 -41.9 38.5 22.8 26 35 H N T 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.198 93.0 72.7 -86.1 19.0 -44.8 40.7 21.7 27 36 H M T <> + 0 0 8 -3,-2.3 4,-0.5 1,-0.1 -1,-0.2 0.370 61.3 102.8-109.6 2.5 -45.9 41.3 25.4 28 37 H R T <4 S+ 0 0 18 -3,-1.0 2,-0.3 -4,-0.2 40,-0.2 0.481 81.7 48.9 -64.9 -3.2 -43.0 43.7 26.1 29 38 H E T 4 S+ 0 0 32 -3,-0.2 -1,-0.1 38,-0.1 37,-0.0 -0.998 112.5 10.1-145.3 136.4 -45.3 46.7 25.9 30 39 H G T 4 S+ 0 0 0 -2,-0.3 216,-3.1 1,-0.3 218,-0.2 0.246 95.3 148.9 83.2 -13.4 -48.8 47.5 27.3 31 40 H Y < + 0 0 16 -4,-0.5 -1,-0.3 214,-0.2 37,-0.3 -0.735 32.7 57.8-101.3 153.6 -48.7 44.5 29.6 32 41 H P S S- 0 0 62 0, 0.0 214,-0.1 0, 0.0 38,-0.1 0.495 92.4-119.9 -71.1 152.2 -49.7 43.6 32.4 33 42 H L - 0 0 11 -2,-0.1 8,-1.7 212,-0.1 2,-0.3 -0.108 29.7-150.7 -63.8 159.4 -53.3 44.2 31.4 34 43 H E B -A 40 0A 42 210,-3.1 210,-0.3 6,-0.3 2,-0.1 -0.928 15.3-118.7-132.9 154.1 -55.5 46.6 33.3 35 44 H N > - 0 0 44 4,-2.3 3,-2.5 -2,-0.3 6,-0.1 -0.432 52.7 -92.9 -75.5 166.6 -59.1 47.3 34.3 36 45 H E T 3 S+ 0 0 13 1,-0.3 -1,-0.1 -2,-0.1 44,-0.0 0.620 128.2 58.4 -60.4 -10.5 -60.5 50.6 33.0 37 46 H D T 3 S- 0 0 113 2,-0.2 -1,-0.3 212,-0.0 0, 0.0 0.339 116.7-109.3-103.5 6.5 -59.4 52.1 36.3 38 47 H G S < S+ 0 0 39 -3,-2.5 -2,-0.1 1,-0.3 3,-0.1 0.282 76.9 125.3 90.3 -10.8 -55.7 51.2 36.0 39 48 H T S S- 0 0 71 1,-0.1 -4,-2.3 -5,-0.0 -1,-0.3 -0.489 79.6 -81.2 -72.6 150.8 -55.5 48.5 38.6 40 49 H P B -A 34 0A 102 0, 0.0 -6,-0.3 0, 0.0 -1,-0.1 -0.365 50.4-118.7 -55.9 123.5 -54.0 45.2 37.4 41 50 H A - 0 0 6 -8,-1.7 -8,-0.1 203,-0.2 3,-0.1 -0.283 15.3-128.5 -54.5 149.8 -56.8 43.2 35.6 42 51 H A S S+ 0 0 105 1,-0.2 2,-0.6 -3,-0.1 -1,-0.1 0.917 93.7 57.9 -68.5 -42.8 -57.5 39.9 37.2 43 52 H N + 0 0 120 1,-0.1 -1,-0.2 -9,-0.0 -2,-0.1 -0.821 52.9 169.3-103.6 116.5 -57.2 37.9 34.0 44 53 H Q - 0 0 61 -2,-0.6 3,-0.3 1,-0.3 -1,-0.1 0.294 46.4-115.3-106.7 4.5 -53.9 38.2 32.0 45 54 H G - 0 0 44 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 -0.135 44.7 -61.6 78.3 178.6 -54.4 35.4 29.4 46 55 H P S S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.699 108.4 84.5 -72.9 -21.3 -52.4 32.1 29.0 47 56 H F - 0 0 55 -3,-0.3 2,-0.1 -24,-0.1 -27,-0.0 -0.713 67.4-143.6 -96.4 129.9 -49.0 33.7 28.3 48 57 H P - 0 0 64 0, 0.0 -21,-0.1 0, 0.0 -1,-0.0 -0.478 32.5 -90.5 -83.4 156.5 -46.5 35.0 31.0 49 58 H L - 0 0 81 -2,-0.1 -24,-0.1 1,-0.1 -25,-0.1 -0.302 46.4-119.8 -60.5 147.5 -44.3 38.1 30.8 50 59 H P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.358 35.3 -82.6 -82.5 172.1 -40.9 37.5 29.3 51 60 H K - 0 0 180 1,-0.1 15,-0.1 -2,-0.1 0, 0.0 -0.554 61.1 -99.3 -68.0 135.5 -37.5 38.1 31.0 52 61 H P - 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.210 37.4-159.7 -59.4 147.3 -36.7 41.8 30.7 53 62 H K E -B 66 0B 37 13,-2.7 13,-2.0 -3,-0.1 2,-0.5 -0.916 7.6-140.2-122.3 157.4 -34.3 42.8 28.0 54 63 H T E -B 65 0B 77 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.955 5.1-155.5-128.1 117.0 -32.3 46.1 27.9 55 64 H F E -B 64 0B 11 9,-2.9 9,-1.8 -2,-0.5 2,-0.8 -0.738 14.7-139.8 -85.0 131.2 -31.7 48.2 24.8 56 65 H I E -B 63 0B 64 -2,-0.4 392,-3.1 390,-0.4 7,-0.2 -0.855 22.4-145.8 -88.1 108.2 -28.6 50.4 24.9 57 66 H L - 0 0 6 5,-1.9 5,-0.4 -2,-0.8 3,-0.3 -0.444 18.6-116.0 -69.4 147.6 -29.8 53.6 23.3 58 67 H P S > S+ 0 0 29 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.336 90.0 38.3 -80.7 172.0 -27.2 55.5 21.3 59 68 H H T 3 S- 0 0 75 1,-0.2 -2,-0.0 2,-0.1 58,-0.0 0.822 126.3 -73.9 58.9 40.0 -25.7 58.9 22.0 60 69 H G T 3 S+ 0 0 75 -3,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.833 91.9 140.6 41.4 45.1 -25.8 58.3 25.7 61 70 H R < - 0 0 51 -3,-1.0 2,-0.3 1,-0.3 -1,-0.1 0.408 62.3-121.3 -91.5 1.9 -29.5 58.7 25.8 62 71 H G - 0 0 38 -5,-0.4 -5,-1.9 2,-0.0 -1,-0.3 -0.742 34.9 -58.8 107.2-147.8 -29.6 55.8 28.3 63 72 H T E -B 56 0B 85 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.853 28.0-143.2-129.7 167.5 -31.3 52.5 28.1 64 73 H L E -B 55 0B 43 -9,-1.8 -9,-2.9 -2,-0.3 2,-0.5 -0.993 14.9-164.8-129.3 139.0 -34.8 51.0 27.8 65 74 H T E -B 54 0B 57 -2,-0.4 -11,-0.2 -11,-0.2 -2,-0.0 -0.986 17.5-132.9-129.3 120.8 -35.8 47.9 29.6 66 75 H V E S+B 53 0B 9 -13,-2.0 -13,-2.7 -2,-0.5 2,-0.2 -0.975 82.6 31.5-134.1 139.8 -38.9 46.0 28.7 67 76 H P S S+ 0 0 19 0, 0.0 -38,-0.1 0, 0.0 -39,-0.1 0.620 91.4 149.5 -70.7 159.4 -41.1 44.8 30.1 68 77 H G - 0 0 28 -37,-0.3 -2,-0.1 -40,-0.2 -37,-0.0 -0.972 55.5 -61.2-150.8 163.4 -41.0 47.5 32.7 69 78 H P - 0 0 146 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.197 61.0-154.1 -47.9 135.8 -43.2 49.5 35.1 70 79 H E + 0 0 47 -38,-0.1 2,-0.3 -40,-0.0 -41,-0.0 -0.931 25.8 157.5-134.9 111.7 -45.7 51.3 32.9 71 80 H S - 0 0 75 -2,-0.5 176,-0.1 1,-0.1 175,-0.0 -0.898 45.8-123.6-125.7 160.0 -47.7 54.5 33.4 72 81 H E - 0 0 36 -2,-0.3 35,-0.5 2,-0.1 -1,-0.1 0.698 33.5-150.0 -71.0 -20.3 -49.3 57.0 31.0 73 82 H D + 0 0 130 1,-0.1 -1,-0.1 33,-0.1 -2,-0.0 0.703 68.5 72.6 54.7 24.2 -47.2 59.8 32.7 74 83 H R S S- 0 0 29 2,-0.0 2,-0.2 33,-0.0 -2,-0.1 -0.978 89.6 -97.5-156.2 156.6 -50.1 62.2 31.8 75 84 H P - 0 0 116 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.603 32.2-147.2 -75.6 143.0 -53.6 63.1 32.9 76 85 H I - 0 0 50 -2,-0.2 2,-2.1 2,-0.1 23,-0.1 -0.930 3.2-149.5-118.2 110.3 -56.4 61.5 30.8 77 86 H A + 0 0 22 -2,-0.6 15,-2.0 21,-0.3 16,-0.4 -0.416 55.0 109.9 -83.1 67.4 -59.5 63.6 30.5 78 87 H L E -C 91 0C 12 -2,-2.1 2,-0.4 13,-0.3 -2,-0.1 -0.986 44.8-160.9-137.4 147.7 -62.2 60.9 30.1 79 88 H A E -C 90 0C 46 11,-2.8 11,-1.6 -2,-0.3 -2,-0.0 -0.984 31.8 -98.1-129.1 145.4 -65.0 59.6 32.3 80 89 H R E -C 89 0C 112 -2,-0.4 9,-0.2 9,-0.2 3,-0.1 -0.094 22.3-164.0 -48.7 149.3 -66.9 56.4 32.2 81 90 H T + 0 0 80 7,-0.7 2,-0.3 6,-0.1 -1,-0.1 0.295 68.8 43.5-118.4 4.6 -70.4 56.4 30.4 82 91 H A S S- 0 0 26 5,-0.1 5,-0.1 2,-0.1 4,-0.1 -0.940 78.0-116.8-148.1 168.4 -71.7 53.0 31.8 83 92 H V S S+ 0 0 145 -2,-0.3 2,-0.3 2,-0.1 -3,-0.0 0.440 90.7 39.6 -90.3 -0.5 -71.9 51.0 35.0 84 93 H S S > S- 0 0 58 1,-0.1 3,-0.6 0, 0.0 -2,-0.1 -0.914 95.8 -60.4-145.5 166.1 -69.8 48.0 33.9 85 94 H E T 3 S+ 0 0 88 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 -0.106 101.5 28.9 -45.8 132.6 -66.7 46.9 31.9 86 95 H G T 3 S+ 0 0 6 1,-0.3 181,-2.8 -4,-0.1 -1,-0.2 0.593 76.1 119.1 102.3 15.8 -66.4 47.7 28.1 87 96 H F < - 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