==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 19-MAY-00 1E29 . COMPND 2 MOLECULE: CYTOCHROME C549; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP; . AUTHOR C.FRAZAO,F.J.ENGUITA,R.COELHO,G.M.SHELDRICK, . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 6 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 1 1 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A V 0 0 185 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.5 11.7 11.0 38.7 2 2 A E - 0 0 156 1,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.569 360.0-157.9 -83.3 133.8 10.6 10.9 35.1 3 3 A L - 0 0 30 -2,-0.4 20,-0.1 4,-0.0 2,-0.0 -0.929 11.5-142.9-111.2 121.3 7.8 13.2 34.1 4 4 A T > - 0 0 69 -2,-0.6 4,-2.0 1,-0.1 5,-0.1 -0.265 24.6-106.7 -82.2 172.6 5.9 12.3 31.2 5 5 A E T 4 S+ 0 0 120 2,-0.2 4,-0.2 1,-0.2 16,-0.1 0.884 117.6 57.1 -61.6 -39.8 4.4 14.6 28.6 6 6 A S T >4 S+ 0 0 91 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.924 107.5 48.2 -57.9 -45.0 0.8 14.0 29.8 7 7 A T T 34 S+ 0 0 34 1,-0.3 -1,-0.2 13,-0.0 -2,-0.2 0.925 110.2 52.6 -61.4 -38.5 1.8 15.2 33.3 8 8 A R T 3< S+ 0 0 27 -4,-2.0 13,-2.3 13,-0.1 2,-0.5 0.333 91.6 95.7 -80.4 9.7 3.5 18.2 31.7 9 9 A T E < +A 20 0A 33 -3,-1.6 11,-0.2 11,-0.2 -5,-0.0 -0.871 49.7 157.7-105.1 122.3 0.3 19.1 29.8 10 10 A I E -A 19 0A 4 9,-2.5 9,-2.6 -2,-0.5 2,-0.1 -0.901 48.4 -68.9-140.5 164.8 -2.0 21.6 31.4 11 11 A P E -A 18 0A 60 0, 0.0 58,-2.6 0, 0.0 7,-0.3 -0.353 34.3-168.0 -60.9 133.5 -4.8 24.1 30.4 12 12 A L S S- 0 0 53 5,-2.5 58,-2.6 56,-0.2 59,-0.3 0.900 70.8 -15.9 -87.1 -47.8 -3.5 27.0 28.3 13 13 A D S S- 0 0 67 4,-0.9 3,-0.4 56,-0.2 56,-0.1 -0.596 86.1 -79.3-137.0-157.2 -6.7 29.1 28.4 14 14 A E S S+ 0 0 129 -2,-0.2 53,-0.0 1,-0.2 51,-0.0 0.702 107.9 69.7 -82.8 -22.0 -10.3 28.5 29.4 15 15 A A S S- 0 0 91 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.495 116.0 -82.8 -91.2 2.9 -11.7 26.9 26.3 16 16 A G S S+ 0 0 63 1,-0.4 2,-0.1 -3,-0.4 -1,-0.1 0.197 83.4 130.4 128.1 -17.5 -10.0 23.4 26.2 17 17 A G - 0 0 36 -6,-0.1 -5,-2.5 1,-0.0 -4,-0.9 -0.389 38.3-161.3 -66.8 144.0 -6.7 24.1 24.7 18 18 A T E -A 11 0A 85 -7,-0.3 2,-0.4 -6,-0.2 -9,-0.1 -0.767 9.6-149.1-120.9 165.0 -3.7 22.7 26.5 19 19 A T E -A 10 0A 29 -9,-2.6 -9,-2.5 -2,-0.3 2,-0.5 -0.990 7.8-146.8-132.0 144.6 0.0 23.4 26.5 20 20 A T E -A 9 0A 57 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.2 -0.965 12.9-147.6-113.3 120.8 2.9 21.0 27.2 21 21 A L - 0 0 0 -13,-2.3 -13,-0.1 -2,-0.5 2,-0.1 -0.604 17.7-123.0 -80.0 144.9 6.0 22.2 28.9 22 22 A T > - 0 0 69 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.352 30.3-105.0 -72.3 166.5 9.4 20.7 28.1 23 23 A A H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 124.5 54.7 -55.1 -42.7 11.4 19.2 30.9 24 24 A R H > S+ 0 0 213 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.887 107.6 47.5 -60.9 -42.2 13.6 22.3 30.6 25 25 A Q H > S+ 0 0 50 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.938 112.0 51.0 -68.7 -43.3 10.7 24.7 31.1 26 26 A F H X S+ 0 0 21 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.921 110.6 48.9 -58.3 -49.1 9.4 22.6 34.0 27 27 A T H X S+ 0 0 80 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 112.0 48.0 -58.4 -47.7 12.9 22.8 35.6 28 28 A N H X S+ 0 0 43 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.937 112.3 48.7 -60.5 -44.5 13.1 26.5 35.1 29 29 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.920 111.6 49.5 -62.5 -42.2 9.6 27.1 36.6 30 30 A Q H X S+ 0 0 84 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.917 110.9 50.5 -60.5 -45.9 10.4 24.9 39.6 31 31 A K H X S+ 0 0 150 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.918 111.8 46.6 -60.3 -46.4 13.7 26.8 40.2 32 32 A I H X>S+ 0 0 8 -4,-2.4 4,-2.8 1,-0.2 5,-0.6 0.930 110.3 54.0 -62.6 -42.5 12.0 30.2 40.0 33 33 A F H X>S+ 0 0 5 -4,-2.6 4,-2.1 1,-0.2 5,-1.7 0.927 110.4 46.1 -57.4 -50.0 9.2 29.0 42.3 34 34 A V H <5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.929 118.1 43.0 -61.1 -42.0 11.8 27.9 44.9 35 35 A D H <5S+ 0 0 113 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.871 133.2 12.0 -72.1 -37.1 13.7 31.2 44.7 36 36 A T H <5S+ 0 0 10 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.613 127.2 41.4-120.7 -24.2 11.0 33.7 44.6 37 37 A C T >X< + 0 0 31 -4,-2.3 3,-2.5 -8,-0.2 -3,-0.2 -0.180 65.2 166.3-128.0 41.4 3.7 29.9 49.0 42 42 A L G >< S+ 0 0 128 -4,-0.8 3,-2.1 1,-0.3 88,-0.1 -0.334 82.6 5.7 -52.7 131.5 5.7 27.0 50.4 43 43 A Q G 3 S- 0 0 70 1,-0.3 87,-2.9 86,-0.1 -1,-0.3 0.732 130.8 -71.2 60.7 24.3 3.9 23.8 49.2 44 44 A G G < S+ 0 0 0 -3,-2.5 10,-2.6 85,-0.2 87,-0.4 0.630 98.9 138.1 73.5 11.4 1.6 26.0 47.2 45 45 A K < - 0 0 38 -3,-2.1 2,-0.4 85,-0.3 -1,-0.2 -0.316 42.8-152.9 -89.1 166.1 -0.2 27.3 50.3 46 46 A T B +b 132 0B 13 85,-1.7 87,-2.1 -3,-0.1 5,-0.2 -0.997 11.0 179.3-133.1 141.6 -1.4 30.7 51.3 47 47 A K S S+ 0 0 105 -2,-0.4 -1,-0.1 -7,-0.3 3,-0.1 0.514 72.3 58.6-119.8 -9.7 -1.7 31.6 54.9 48 48 A T S S+ 0 0 135 4,-0.1 2,-0.3 1,-0.1 -1,-0.0 0.327 109.8 33.9-111.4 10.1 -2.9 35.2 55.0 49 49 A N S S- 0 0 74 84,-0.1 3,-0.5 3,-0.0 2,-0.4 -0.974 83.6-112.1-151.9 156.8 -6.2 34.7 53.1 50 50 A N S S- 0 0 88 -2,-0.3 -3,-0.1 1,-0.2 84,-0.0 -0.785 92.6 -1.3 -95.4 135.3 -8.7 31.7 53.0 51 51 A N S S+ 0 0 81 -2,-0.4 -1,-0.2 -5,-0.2 10,-0.1 0.802 97.4 110.1 56.2 37.2 -9.1 29.7 49.8 52 52 A V + 0 0 33 -3,-0.5 -1,-0.1 -6,-0.1 -4,-0.1 -0.238 46.3 126.0-129.4 46.0 -6.6 31.8 47.8 53 53 A S S S- 0 0 4 -7,-0.1 -8,-0.2 1,-0.1 79,-0.1 -0.209 76.1-102.8 -86.8-177.2 -3.9 29.2 47.6 54 54 A L S S+ 0 0 24 -10,-2.6 -9,-0.1 77,-0.2 2,-0.1 0.297 82.7 118.0 -92.9 10.2 -2.2 27.8 44.5 55 55 A G S > S- 0 0 11 -11,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.426 78.3-112.4 -69.4 155.1 -4.2 24.6 44.6 56 56 A L H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.884 112.9 52.8 -60.2 -41.5 -6.4 24.1 41.6 57 57 A A H > S+ 0 0 86 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.908 112.7 46.4 -64.1 -39.1 -9.8 24.6 43.2 58 58 A D H >4 S+ 0 0 24 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.954 113.4 47.7 -68.0 -47.2 -8.7 27.9 44.7 59 59 A L H >< S+ 0 0 9 -4,-2.5 7,-3.0 1,-0.2 3,-1.5 0.915 107.5 57.4 -57.8 -40.1 -7.2 29.1 41.4 60 60 A A H 3< S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.726 103.4 54.9 -64.2 -26.1 -10.4 28.0 39.5 61 61 A G T << S+ 0 0 46 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.514 85.5 103.1 -91.7 -2.8 -12.5 30.3 41.8 62 62 A A S < S- 0 0 6 -3,-1.5 21,-0.2 -4,-0.5 5,-0.1 -0.274 84.8 -87.5 -70.8 164.9 -10.5 33.4 41.1 63 63 A E S S+ 0 0 120 19,-2.0 2,-0.1 18,-0.2 -2,-0.1 -0.959 123.2 16.6-119.8 113.3 -11.9 36.1 38.7 64 64 A P S S- 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.695 120.1 -99.5 -68.3 169.7 -11.1 35.4 36.0 65 65 A R - 0 0 111 -2,-0.1 -5,-0.2 1,-0.1 3,-0.1 -0.267 28.8-157.5 -65.5 144.7 -10.2 31.8 36.8 66 66 A R + 0 0 21 -7,-3.0 -6,-0.2 1,-0.2 -1,-0.1 0.195 63.7 102.9-110.0 14.5 -6.4 31.2 37.3 67 67 A D S S+ 0 0 29 -8,-0.3 2,-0.3 -5,-0.1 -1,-0.2 0.001 71.9 70.5 -93.2 33.6 -6.2 27.5 36.6 68 68 A N S > S- 0 0 7 -3,-0.1 4,-1.6 -56,-0.1 -56,-0.2 -0.972 88.2-114.2-146.1 154.1 -4.8 28.0 33.1 69 69 A V H > S+ 0 0 0 -58,-2.6 4,-2.5 -2,-0.3 5,-0.2 0.907 110.1 51.3 -61.3 -46.2 -1.3 29.2 32.0 70 70 A L H > S+ 0 0 86 -58,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.878 108.5 51.3 -65.0 -33.2 -2.4 32.4 30.4 71 71 A A H > S+ 0 0 21 -59,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.876 111.2 49.0 -66.7 -35.3 -4.4 33.6 33.4 72 72 A L H X S+ 0 0 13 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.901 109.7 51.2 -70.7 -41.1 -1.4 33.0 35.6 73 73 A V H X S+ 0 0 5 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.937 111.3 48.7 -58.5 -45.8 0.9 34.8 33.3 74 74 A E H >X S+ 0 0 86 -4,-2.4 4,-3.0 1,-0.2 3,-0.6 0.907 109.4 52.0 -61.4 -40.5 -1.5 37.7 33.4 75 75 A F H 3< S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.876 107.5 52.3 -61.6 -40.9 -1.7 37.6 37.2 76 76 A L H 3< S+ 0 0 28 -4,-2.2 19,-2.4 1,-0.2 20,-0.3 0.629 115.3 42.0 -78.3 -10.3 2.1 37.7 37.4 77 77 A K H << S+ 0 0 48 -4,-1.0 19,-0.7 -3,-0.6 -2,-0.2 0.856 136.5 11.3 -85.9 -50.1 2.2 40.8 35.2 78 78 A N S < S- 0 0 59 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.1 -0.743 82.4-160.4-135.9 73.5 -0.8 42.6 36.8 79 79 A P - 0 0 0 0, 0.0 9,-2.7 0, 0.0 10,-0.3 -0.293 11.7-177.3 -66.1 151.2 -1.9 41.0 40.0 80 80 A K B -C 87 0C 71 7,-0.2 7,-0.2 8,-0.2 5,-0.0 -0.889 33.9 -86.4-136.9 163.2 -5.3 41.5 41.4 81 81 A S > - 0 0 6 5,-1.7 3,-1.8 -2,-0.3 -18,-0.2 -0.162 56.5 -95.3 -62.4 170.2 -7.4 40.6 44.5 82 82 A Y T 3 S+ 0 0 67 1,-0.3 -19,-2.0 2,-0.1 -1,-0.1 0.839 127.6 49.8 -65.9 -34.2 -9.2 37.3 44.2 83 83 A D T 3 S- 0 0 98 -21,-0.2 -1,-0.3 1,-0.0 -2,-0.0 0.451 112.8-121.7 -79.5 -1.0 -12.5 38.8 43.0 84 84 A G S < S+ 0 0 25 -3,-1.8 -2,-0.1 2,-0.1 -22,-0.0 0.494 84.0 107.8 75.1 9.4 -10.4 40.8 40.4 85 85 A E + 0 0 155 -5,-0.0 2,-0.3 2,-0.0 -3,-0.0 0.824 64.1 61.6 -83.8 -36.8 -11.5 44.3 41.6 86 86 A D S S- 0 0 90 2,-0.0 -5,-1.7 1,-0.0 2,-0.6 -0.744 79.0-123.5-105.0 132.5 -8.4 45.6 43.4 87 87 A D B +C 80 0C 107 -2,-0.3 3,-0.3 -7,-0.2 -7,-0.2 -0.759 25.0 179.2 -83.9 117.7 -5.0 46.3 41.8 88 88 A Y >> + 0 0 73 -9,-2.7 4,-2.9 -2,-0.6 3,-1.8 0.042 44.7 116.9-105.4 21.1 -2.2 44.4 43.6 89 89 A S T 34 S+ 0 0 22 -10,-0.3 -1,-0.2 1,-0.3 5,-0.1 0.682 86.8 37.5 -69.8 -14.1 0.6 45.7 41.4 90 90 A E T 34 S+ 0 0 124 -3,-0.3 -1,-0.3 -11,-0.1 -2,-0.1 0.156 123.6 44.5-110.7 12.4 2.2 47.4 44.5 91 91 A L T <4 S+ 0 0 126 -3,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.634 108.9 45.9-120.4 -44.5 1.2 44.6 46.8 92 92 A H S < S- 0 0 46 -4,-2.9 -1,-0.3 -13,-0.1 9,-0.1 -0.906 94.3 -98.4-107.5 136.1 2.0 41.2 45.2 93 93 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.114 56.7 155.4 -53.4 142.0 5.3 40.5 43.4 94 94 A N > - 0 0 0 3,-0.2 3,-0.5 -5,-0.1 -17,-0.2 -0.984 53.5-114.6-162.8 163.7 5.1 41.0 39.6 95 95 A I T 3 S+ 0 0 40 -19,-2.4 -18,-0.2 -2,-0.3 -17,-0.1 0.522 104.4 70.7 -88.7 -1.8 7.1 41.7 36.5 96 96 A S T 3 S+ 0 0 57 -19,-0.7 -1,-0.2 -20,-0.3 3,-0.1 0.746 102.1 44.4 -77.3 -23.9 5.4 45.1 35.8 97 97 A R X> + 0 0 62 -3,-0.5 4,-2.0 1,-0.1 3,-1.0 -0.573 58.0 155.1-126.1 65.8 7.1 46.8 38.8 98 98 A P T 34 S+ 0 0 57 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.689 71.2 70.1 -65.8 -20.2 10.7 45.8 38.9 99 99 A D T 34 S+ 0 0 104 1,-0.2 -2,-0.1 -3,-0.1 6,-0.0 0.888 113.4 26.1 -63.9 -38.8 11.4 49.0 40.8 100 100 A I T <4 S+ 0 0 72 -3,-1.0 -1,-0.2 1,-0.2 3,-0.1 0.673 130.2 43.2-100.5 -15.0 9.6 47.6 43.8 101 101 A Y >< + 0 0 26 -4,-2.0 3,-2.2 -7,-0.1 4,-0.3 -0.637 62.3 163.5-123.0 68.6 10.2 43.8 43.1 102 102 A P G > S+ 0 0 63 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.810 72.5 67.5 -60.1 -27.9 13.9 43.7 42.0 103 103 A E G 3 S+ 0 0 83 1,-0.3 3,-0.2 -3,-0.1 -2,-0.0 0.634 103.6 46.3 -63.1 -17.1 13.9 39.9 42.5 104 104 A M G X S+ 0 0 9 -3,-2.2 3,-1.6 -10,-0.2 -1,-0.3 0.408 86.9 93.6 -96.9 -6.9 11.5 39.8 39.6 105 105 A R T < S+ 0 0 156 -3,-1.7 -2,-0.1 -4,-0.3 -1,-0.1 0.688 83.4 48.9 -76.4 -16.6 13.4 42.1 37.3 106 106 A N T 3 S+ 0 0 113 -4,-0.3 2,-0.6 -3,-0.2 -1,-0.3 0.372 87.2 101.5 -99.4 5.6 15.4 39.5 35.4 107 107 A Y < - 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