==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-MAY-11 3AZC . COMPND 2 MOLECULE: CYTOCHROME B6-F COMPLEX IRON-SULFUR SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS ELONGATUS; . AUTHOR S.VEIT,K.TAKEDA,Y.TSUNOYAMA,M.ROEGNER,K.MIKI . 133 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 30.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 15 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 5 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 48 A H 0 0 84 0, 0.0 119,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.6 -1.1 46.6 -0.3 2 49 A H - 0 0 142 115,-0.1 0, 0.0 4,-0.1 0, 0.0 0.908 360.0 -23.6 -89.1 -54.7 -2.7 44.4 2.3 3 50 A I S > S+ 0 0 113 3,-0.1 3,-0.8 114,-0.0 0, 0.0 0.557 138.5 57.4-127.7 -34.9 -2.9 41.1 0.4 4 51 A E T 3 S+ 0 0 119 1,-0.3 2,-0.7 3,-0.0 113,-0.0 0.979 114.6 34.1 -66.9 -59.9 -2.9 42.3 -3.3 5 52 A G T 3 S+ 0 0 21 32,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.277 99.2 115.8 -92.7 49.4 0.4 44.2 -3.3 6 53 A R < - 0 0 122 -3,-0.8 2,-0.4 -2,-0.7 111,-0.2 -0.896 43.1-169.5-117.8 146.5 2.0 41.8 -0.9 7 54 A A E -A 116 0A 17 109,-2.8 109,-3.7 -2,-0.3 2,-0.5 -0.997 23.9-130.0-141.4 143.4 4.9 39.5 -1.5 8 55 A V E -A 115 0A 49 -2,-0.4 107,-0.2 107,-0.2 2,-0.1 -0.782 42.7-112.0 -83.8 126.0 6.7 36.7 0.3 9 56 A A - 0 0 0 105,-3.2 8,-2.9 -2,-0.5 2,-0.3 -0.413 41.2-168.4 -62.7 131.0 10.5 37.5 0.4 10 57 A K B -BC 16 35A 68 25,-1.7 25,-3.4 6,-0.3 6,-0.2 -0.878 14.4-124.6-123.1 155.2 12.3 35.0 -1.9 11 58 A D > - 0 0 55 4,-2.6 3,-2.5 -2,-0.3 23,-0.1 -0.193 47.4 -78.2 -87.3-176.1 16.0 34.2 -2.3 12 59 A A T 3 S+ 0 0 91 1,-0.3 22,-0.1 21,-0.2 -1,-0.0 0.801 132.2 50.6 -53.4 -31.8 18.0 34.3 -5.5 13 60 A L T 3 S- 0 0 140 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.350 119.3-107.8 -90.2 4.9 16.6 30.9 -6.5 14 61 A G S < S+ 0 0 24 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.530 74.0 138.4 82.8 4.6 13.0 32.0 -6.0 15 62 A N - 0 0 94 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.677 63.9 -99.8 -86.1 137.5 12.6 29.9 -2.8 16 63 A D B -B 10 0A 54 -2,-0.3 -6,-0.3 -6,-0.2 2,-0.1 -0.265 41.8-112.6 -52.5 133.8 10.7 31.5 0.0 17 64 A I - 0 0 13 -8,-2.9 2,-0.7 97,-0.2 97,-0.5 -0.473 19.3-143.7 -71.2 139.0 13.1 32.8 2.7 18 65 A K > - 0 0 110 1,-0.2 4,-3.0 -2,-0.1 95,-0.2 -0.934 11.3-151.9-102.3 110.1 13.0 31.0 6.0 19 66 A V H > S+ 0 0 7 93,-2.1 4,-2.9 -2,-0.7 5,-0.3 0.875 90.1 50.1 -53.9 -46.9 13.6 33.7 8.6 20 67 A S H > S+ 0 0 62 92,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.920 117.2 42.7 -59.0 -43.6 15.2 31.7 11.4 21 68 A E H 4 S+ 0 0 87 2,-0.2 4,-0.3 91,-0.2 -1,-0.2 0.880 111.6 55.4 -69.2 -36.6 17.6 30.2 8.8 22 69 A Y H >X S+ 0 0 19 -4,-3.0 3,-1.8 1,-0.2 4,-0.7 0.942 107.2 48.3 -63.5 -45.8 18.1 33.6 7.2 23 70 A L H 3< S+ 0 0 23 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.803 103.9 61.7 -64.4 -27.0 19.2 35.2 10.6 24 71 A A T 3< S+ 0 0 85 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.585 112.0 39.5 -74.4 -6.2 21.5 32.3 11.1 25 72 A K T <4 S+ 0 0 138 -3,-1.8 2,-0.4 -4,-0.3 -1,-0.2 0.423 112.3 55.6-120.8 -4.8 23.3 33.5 7.9 26 73 A H S < S- 0 0 35 -4,-0.7 -1,-0.2 -3,-0.4 3,-0.1 -0.965 71.1-151.2-136.0 117.6 23.2 37.2 8.2 27 74 A L > - 0 0 125 -2,-0.4 3,-2.5 1,-0.2 19,-0.2 -0.322 42.9 -61.3 -83.9 167.3 24.6 39.1 11.2 28 75 A P T 3 S+ 0 0 58 0, 0.0 19,-0.2 0, 0.0 20,-0.2 -0.096 125.3 25.1 -46.7 140.7 23.5 42.4 12.7 29 76 A G T 3 S+ 0 0 35 17,-2.5 18,-0.1 1,-0.3 19,-0.1 0.210 88.1 143.4 86.9 -15.3 24.0 45.3 10.2 30 77 A D < - 0 0 44 -3,-2.5 16,-2.7 17,-0.2 2,-0.4 -0.289 28.4-173.9 -62.0 137.6 23.7 42.9 7.3 31 78 A R E + D 0 45A 43 14,-0.2 2,-0.3 -3,-0.1 14,-0.2 -0.961 16.6 159.9-133.1 113.5 21.8 44.3 4.2 32 79 A S E - D 0 44A 34 12,-1.8 12,-3.1 -2,-0.4 2,-0.1 -0.955 37.9-102.9-134.4 154.1 21.3 41.7 1.5 33 80 A L E + D 0 43A 80 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.425 34.5 173.0 -80.1 148.8 18.9 41.5 -1.5 34 81 A A E - D 0 42A 6 8,-1.2 8,-2.9 6,-0.2 2,-0.6 -0.894 43.8 -93.5-140.8 165.9 15.8 39.4 -1.6 35 82 A Q E +CD 10 41A 66 -25,-3.4 -25,-1.7 -2,-0.3 5,-0.2 -0.792 56.0 174.1 -84.6 123.1 13.1 39.2 -4.3 36 83 A G > - 0 0 5 4,-2.2 3,-2.5 -2,-0.6 -28,-0.1 0.082 40.5 -10.1-107.3-141.0 10.3 41.6 -3.1 37 84 A I G > S- 0 0 46 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 -0.353 138.8 -1.4 -60.7 127.7 7.0 42.9 -4.4 38 85 A K G 3 S- 0 0 192 1,-0.3 -1,-0.3 -32,-0.2 -2,-0.1 0.796 132.1 -69.0 61.2 21.3 6.6 42.1 -8.1 39 86 A G G < S+ 0 0 40 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.563 86.4 162.7 74.9 8.2 10.0 40.5 -7.6 40 87 A D < - 0 0 52 -3,-2.0 -4,-2.2 -5,-0.2 -1,-0.2 -0.363 51.3-100.5 -63.0 135.8 11.9 43.8 -7.1 41 88 A P E -D 35 0A 35 0, 0.0 18,-2.4 0, 0.0 2,-0.4 -0.367 52.6-177.8 -58.4 120.0 15.4 43.5 -5.5 42 89 A T E -DE 34 58A 2 -8,-2.9 -8,-1.2 16,-0.2 2,-0.3 -0.979 26.1-122.1-130.0 128.3 14.7 44.6 -1.9 43 90 A Y E -DE 33 57A 9 14,-3.6 14,-1.3 -2,-0.4 2,-0.5 -0.489 16.3-155.4 -69.9 128.1 17.1 44.9 0.9 44 91 A V E -D 32 0A 3 -12,-3.1 -12,-1.8 -2,-0.3 2,-0.5 -0.902 18.3-153.2 -97.7 130.6 16.4 42.8 4.0 45 92 A I E -D 31 0A 6 -2,-0.5 8,-3.4 10,-0.4 2,-0.6 -0.930 8.1-152.0-113.6 125.3 18.0 44.6 6.9 46 93 A V B -H 52 0B 1 -16,-2.7 -17,-2.5 -2,-0.5 6,-0.2 -0.872 21.7-140.0 -96.5 126.2 19.3 42.8 10.1 47 94 A T > - 0 0 42 4,-2.9 3,-1.8 -2,-0.6 -17,-0.2 -0.124 29.5 -97.0 -75.5 174.1 19.2 45.1 13.1 48 95 A E T 3 S+ 0 0 184 1,-0.3 -1,-0.1 -20,-0.2 -2,-0.0 0.806 127.5 58.9 -60.7 -31.8 21.7 45.4 16.0 49 96 A D T 3 S- 0 0 131 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.480 120.8-112.2 -75.3 -6.9 19.4 43.0 17.9 50 97 A H S < S+ 0 0 63 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.940 77.5 121.5 72.2 49.5 19.9 40.5 15.1 51 98 A Q S S- 0 0 116 -4,-0.1 -4,-2.9 -24,-0.0 2,-0.5 -0.886 74.4 -89.7-135.5 164.8 16.3 40.7 13.9 52 99 A I B -H 46 0B 21 -2,-0.3 -6,-0.2 -6,-0.2 56,-0.1 -0.670 51.3-116.8 -76.8 125.2 14.7 41.6 10.6 53 100 A A - 0 0 5 -8,-3.4 -8,-0.2 -2,-0.5 -1,-0.1 -0.201 20.7-113.1 -59.4 155.4 14.1 45.4 10.6 54 101 A N S S+ 0 0 94 51,-0.1 52,-2.8 53,-0.1 2,-0.3 0.669 100.7 46.7 -66.5 -13.9 10.5 46.6 10.4 55 102 A Y E - F 0 105A 28 50,-0.3 -10,-0.4 -10,-0.1 50,-0.2 -0.955 63.8-162.7-131.3 153.4 11.3 48.0 7.0 56 103 A G E - F 0 104A 1 48,-3.4 48,-1.6 -2,-0.3 2,-0.4 -0.584 22.2-124.8-114.0-178.9 13.1 46.8 3.8 57 104 A L E -EF 43 103A 0 -14,-1.3 -14,-3.6 46,-0.2 2,-0.6 -0.979 10.3-130.2-138.1 126.2 14.4 49.0 1.0 58 105 A N E -E 42 0A 29 44,-2.6 44,-0.3 -2,-0.4 -16,-0.2 -0.619 22.8-154.7 -71.5 117.5 13.6 48.8 -2.7 59 106 A A + 0 0 0 -18,-2.4 9,-2.8 -2,-0.6 2,-0.7 0.427 54.5 119.1 -78.4 0.8 17.2 48.8 -4.1 60 107 A V B S-I 67 0C 45 -19,-0.4 42,-0.3 7,-0.2 7,-0.2 -0.582 73.0-119.1 -72.7 112.8 16.2 50.2 -7.5 61 108 A C > - 0 0 4 5,-3.9 4,-1.8 -2,-0.7 -1,-0.1 -0.235 12.5-137.9 -52.5 129.1 18.1 53.5 -7.8 62 109 A T T 4 S+ 0 0 27 37,-0.4 -1,-0.2 2,-0.2 38,-0.1 0.471 95.7 63.0 -71.2 0.6 15.5 56.4 -8.1 63 110 A H T 4 S- 0 0 56 34,-0.1 -1,-0.1 3,-0.1 -3,-0.0 0.918 131.1 -22.7 -86.5 -76.3 17.8 57.9 -10.8 64 111 A L T 4 S- 0 0 120 2,-0.1 -2,-0.2 33,-0.0 -3,-0.1 0.139 94.0 -93.3-128.1 21.2 18.0 55.5 -13.7 65 112 A G < + 0 0 38 -4,-1.8 -3,-0.1 1,-0.2 -6,-0.0 0.463 66.7 148.4 89.2 1.0 17.1 52.1 -12.2 66 113 A a - 0 0 38 -6,-0.2 -5,-3.9 1,-0.1 2,-0.8 -0.354 56.6-109.8 -67.2 152.8 20.4 50.5 -11.3 67 114 A V B -I 60 0C 69 -7,-0.2 -7,-0.2 1,-0.0 -1,-0.1 -0.778 37.7-133.9 -84.3 114.6 20.3 48.1 -8.3 68 115 A V - 0 0 0 -9,-2.8 11,-0.2 -2,-0.8 2,-0.1 -0.570 15.1-141.8 -78.1 119.4 22.2 50.1 -5.6 69 116 A P - 0 0 62 0, 0.0 9,-1.5 0, 0.0 2,-0.5 -0.363 16.0-117.2 -77.3 157.8 24.9 48.1 -3.6 70 117 A W E -J 77 0D 42 7,-0.2 2,-0.8 -39,-0.2 7,-0.2 -0.831 19.6-151.3 -95.6 129.2 25.5 48.5 0.1 71 118 A N E >> -J 76 0D 58 5,-3.0 4,-1.7 -2,-0.5 5,-1.3 -0.844 6.3-167.5-105.3 100.6 29.0 49.8 1.0 72 119 A V T 45S+ 0 0 112 -2,-0.8 3,-0.2 1,-0.2 -1,-0.2 0.914 86.9 48.3 -51.1 -48.6 29.8 48.5 4.5 73 120 A S T 45S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.912 117.7 38.1 -60.8 -48.5 32.8 50.8 4.8 74 121 A E T 45S- 0 0 100 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.607 100.2-137.1 -77.6 -12.5 31.1 54.0 3.7 75 122 A N T <5S+ 0 0 85 -4,-1.7 13,-0.4 1,-0.2 2,-0.3 0.881 70.2 102.4 55.8 38.0 28.0 52.9 5.6 76 123 A K E - 0 0 1 5,-2.9 4,-1.9 -2,-0.5 3,-0.3 -0.725 4.2-159.8 -86.3 119.3 25.2 53.5 -7.0 80 127 A P T 4 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -12,-0.1 0.615 82.8 71.9 -72.5 -10.6 28.1 52.7 -9.4 81 128 A a T 4 S- 0 0 55 1,-0.1 -13,-0.0 3,-0.1 -2,-0.0 0.968 128.1 -14.5 -72.2 -50.9 26.1 53.9 -12.4 82 129 A H T 4 S- 0 0 102 -3,-0.3 -1,-0.1 2,-0.1 15,-0.0 0.233 96.4-100.9-137.8 14.4 26.1 57.6 -11.7 83 130 A G < + 0 0 28 -4,-1.9 0, 0.0 1,-0.2 0, 0.0 0.497 58.2 161.3 84.8 3.0 27.3 58.0 -8.2 84 131 A S - 0 0 0 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.4 -0.255 22.6-157.0 -55.8 149.4 24.1 58.6 -6.3 85 132 A Q E -KL 78 94D 21 9,-2.3 8,-3.0 -7,-0.2 9,-1.6 -0.988 13.6-173.1-133.9 143.8 24.4 58.0 -2.6 86 133 A Y E -KL 77 92D 0 -9,-2.6 -9,-2.3 -2,-0.4 6,-0.3 -0.949 24.7-116.5-130.9 150.4 21.9 57.1 0.2 87 134 A D > - 0 0 41 4,-2.6 3,-3.2 -2,-0.3 -11,-0.1 -0.147 48.0 -75.3 -80.9-179.5 22.4 56.8 4.0 88 135 A S T 3 S+ 0 0 30 -13,-0.4 -12,-0.1 1,-0.3 -1,-0.1 0.758 134.6 45.2 -43.5 -33.9 22.1 53.8 6.2 89 136 A T T 3 S- 0 0 36 2,-0.1 -1,-0.3 -12,-0.0 3,-0.1 0.331 122.4-102.1 -97.3 6.1 18.3 54.1 6.0 90 137 A G < + 0 0 0 -3,-3.2 11,-2.7 1,-0.3 2,-0.4 0.561 68.7 150.5 87.2 7.8 18.1 54.6 2.3 91 138 A K - 0 0 83 9,-0.2 -4,-2.6 1,-0.1 -1,-0.3 -0.611 55.1-112.7 -76.0 130.4 17.6 58.4 2.4 92 139 A V E +L 86 0D 33 -2,-0.4 -6,-0.3 -6,-0.3 8,-0.2 -0.476 44.9 166.4 -65.1 127.0 19.1 60.0 -0.7 93 140 A V E + 0 0 86 -8,-3.0 2,-0.3 1,-0.3 -7,-0.2 0.370 64.0 29.8-123.7 -0.4 22.0 62.0 0.4 94 141 A R E S-L 85 0D 152 -9,-1.6 -9,-2.3 3,-0.1 3,-0.4 -0.878 83.2-120.2-163.2 125.1 23.7 62.7 -2.9 95 142 A G S S+ 0 0 40 -2,-0.3 -10,-0.1 1,-0.3 -2,-0.1 0.142 81.2 89.8 -69.1-169.0 22.3 63.0 -6.4 96 143 A P S S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 -13,-0.1 -0.996 96.7 86.3 -66.7 -10.2 21.7 62.7 -9.3 97 144 A A - 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