==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-MAY-00 1F1C . COMPND 2 MOLECULE: CYTOCHROME C549; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROSPIRA MAXIMA; . AUTHOR C.A.KERFELD,M.R.SAWAYA,T.O.YEATES,D.W.KROGMANN . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 62.8 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 . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 2 0 0 0 2 0 0 0 0 2 0 0 0 2 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 . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A L 0 0 95 0, 0.0 20,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 87.7 28.2 19.6 6.2 2 4 A T > - 0 0 87 1,-0.1 4,-1.1 3,-0.1 3,-0.2 -0.028 360.0-108.3 -55.7 162.4 27.7 21.7 3.1 3 5 A E T 4 S+ 0 0 135 1,-0.2 -1,-0.1 2,-0.2 16,-0.1 0.671 117.1 66.9 -67.4 -15.6 24.9 24.3 2.9 4 6 A E T >4 S+ 0 0 138 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.950 98.8 45.3 -70.4 -51.7 23.3 21.9 0.4 5 7 A L T 34 S+ 0 0 59 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.811 110.5 58.4 -61.9 -27.7 22.6 19.1 2.9 6 8 A R T 3< S+ 0 0 36 -4,-1.1 13,-2.2 -5,-0.0 2,-0.6 0.159 82.1 102.4 -89.3 17.7 21.4 21.8 5.3 7 9 A T E < +A 18 0A 32 -3,-1.8 11,-0.2 11,-0.2 9,-0.0 -0.914 49.7 169.3-103.3 116.6 18.7 23.0 2.8 8 10 A F E -A 17 0A 1 9,-2.5 9,-2.2 -2,-0.6 2,-0.5 -0.850 44.1 -96.6-126.2 162.7 15.2 21.7 3.7 9 11 A P E -A 16 0A 53 0, 0.0 58,-2.4 0, 0.0 7,-0.3 -0.676 32.2-165.3 -76.8 123.2 11.7 22.3 2.6 10 12 A I + 0 0 62 5,-2.0 58,-2.7 -2,-0.5 2,-0.2 0.815 69.3 4.7 -80.0 -30.1 10.4 24.8 5.1 11 13 A N S > S- 0 0 35 4,-0.7 3,-0.9 56,-0.2 56,-0.1 -0.795 83.3 -94.8-140.5-177.2 6.8 24.3 4.1 12 14 A A T 3 S+ 0 0 77 -2,-0.2 52,-0.0 1,-0.2 53,-0.0 0.512 110.4 76.0 -81.8 -6.0 4.6 22.2 1.8 13 15 A Q T 3 S- 0 0 154 2,-0.0 -1,-0.2 1,-0.0 0, 0.0 0.448 115.7-105.3 -84.3 0.0 4.7 24.9 -0.9 14 16 A G < + 0 0 54 -3,-0.9 -2,-0.1 1,-0.3 -1,-0.0 0.401 67.3 152.8 93.8 -3.9 8.2 23.8 -1.8 15 17 A D - 0 0 89 -6,-0.1 -5,-2.0 1,-0.1 -4,-0.7 -0.260 34.4-139.6 -58.4 147.4 10.0 26.8 -0.2 16 18 A T E -A 9 0A 100 -7,-0.3 2,-0.3 -6,-0.1 -1,-0.1 -0.813 16.7-170.0-112.9 153.8 13.5 26.1 0.9 17 19 A A E -A 8 0A 17 -9,-2.2 -9,-2.5 -2,-0.3 2,-0.7 -0.998 16.7-141.4-140.5 139.8 15.4 27.2 4.1 18 20 A V E -A 7 0A 73 -2,-0.3 2,-0.2 -11,-0.2 -11,-0.2 -0.898 21.2-157.6-105.5 111.1 19.1 26.8 4.9 19 21 A L - 0 0 1 -13,-2.2 2,-0.1 -2,-0.7 -13,-0.0 -0.604 18.7-116.1 -86.8 149.9 19.5 26.0 8.6 20 22 A S > - 0 0 41 -2,-0.2 4,-1.5 1,-0.1 3,-0.2 -0.492 21.0-121.2 -79.1 154.7 22.8 26.7 10.4 21 23 A L H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.886 113.1 61.5 -62.4 -37.1 24.7 23.8 11.7 22 24 A K H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 101.7 50.5 -55.8 -44.9 24.4 25.3 15.2 23 25 A E H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 109.0 51.7 -61.7 -39.7 20.6 25.0 15.0 24 26 A I H X S+ 0 0 7 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.864 105.0 55.4 -65.7 -36.5 20.8 21.4 14.0 25 27 A K H X S+ 0 0 120 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.896 111.6 45.4 -61.7 -39.6 23.2 20.7 17.0 26 28 A K H X S+ 0 0 86 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.838 108.5 55.3 -72.4 -34.8 20.5 22.1 19.2 27 29 A G H X S+ 0 0 0 -4,-2.2 4,-3.0 85,-0.2 -2,-0.2 0.919 105.7 53.1 -63.8 -41.9 17.7 20.2 17.4 28 30 A Q H X S+ 0 0 60 -4,-2.4 4,-4.1 2,-0.2 5,-0.3 0.936 108.0 51.0 -56.7 -49.4 19.6 17.0 18.2 29 31 A Q H X S+ 0 0 126 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.953 111.9 44.9 -54.2 -56.2 19.8 17.8 21.9 30 32 A V H X S+ 0 0 23 -4,-2.3 4,-3.2 1,-0.2 5,-0.4 0.935 116.4 49.2 -55.9 -43.3 16.1 18.5 22.1 31 33 A F H X>S+ 0 0 2 -4,-3.0 4,-3.2 1,-0.2 5,-1.9 0.961 110.2 47.9 -61.0 -52.7 15.5 15.4 20.1 32 34 A N H <5S+ 0 0 89 -4,-4.1 -1,-0.2 1,-0.2 -2,-0.2 0.755 118.2 44.3 -60.7 -23.0 17.8 13.2 22.2 33 35 A A H <5S+ 0 0 60 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.871 129.4 19.1 -89.4 -39.8 16.1 14.6 25.3 34 36 A A H <5S+ 0 0 21 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.517 133.5 27.3-111.4 -5.3 12.4 14.5 24.3 35 37 A C T >X5S+ 0 0 29 -4,-3.2 4,-2.0 -5,-0.4 3,-1.7 0.676 91.2 83.2-128.3 -27.8 12.1 12.0 21.5 36 38 A A H 3>< + 0 0 29 -4,-2.0 3,-2.2 5,-0.2 4,-0.3 0.264 63.1 145.6-127.5 14.3 12.4 7.5 18.2 40 42 A A G >< S+ 0 0 35 -4,-1.3 3,-1.2 1,-0.3 89,-0.1 -0.271 82.5 14.9 -53.6 139.0 16.1 6.7 18.5 41 43 A L G 3 S- 0 0 120 1,-0.2 88,-3.7 87,-0.1 -1,-0.3 0.656 132.5 -72.5 68.5 16.7 17.4 6.0 15.0 42 44 A G G < S+ 0 0 0 -3,-2.2 10,-3.0 86,-0.3 11,-0.3 0.728 101.6 126.8 72.5 21.4 14.3 7.5 13.5 43 45 A V < - 0 0 46 -3,-1.2 2,-0.5 -4,-0.3 -1,-0.2 -0.455 60.3-131.0-100.7 176.8 12.2 4.6 14.5 44 46 A T > - 0 0 14 -2,-0.2 3,-1.9 1,-0.2 -5,-0.2 -0.905 17.1-154.7-131.7 99.5 8.9 4.5 16.4 45 47 A R T 3 S+ 0 0 135 -7,-2.5 -1,-0.2 -2,-0.5 -6,-0.1 0.841 90.9 31.7 -41.6 -53.4 9.3 1.9 19.1 46 48 A T T 3 S+ 0 0 31 1,-0.2 -1,-0.3 172,-0.2 173,-0.1 0.272 128.4 38.6 -95.6 10.2 5.6 1.1 19.6 47 49 A N < - 0 0 36 -3,-1.9 3,-0.5 1,-0.1 -1,-0.2 -0.497 63.3-177.2-158.4 81.5 4.6 1.7 16.0 48 50 A P S S+ 0 0 87 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 0.824 80.8 54.1 -49.0 -43.3 7.1 0.5 13.4 49 51 A D S S+ 0 0 136 1,-0.2 2,-1.9 2,-0.1 -2,-0.0 0.895 97.1 63.9 -64.6 -42.3 5.2 1.8 10.3 50 52 A V S S+ 0 0 33 -3,-0.5 -1,-0.2 -6,-0.1 -3,-0.1 -0.461 82.1 155.3 -84.5 67.7 4.9 5.4 11.5 51 53 A N - 0 0 14 -2,-1.9 -8,-0.2 -3,-0.2 -9,-0.1 0.020 58.5-110.8 -81.9-173.3 8.7 6.0 11.5 52 54 A L S S+ 0 0 17 -10,-3.0 -9,-0.1 -11,-0.1 -2,-0.1 0.076 77.4 120.5-108.5 19.5 10.8 9.2 11.1 53 55 A S S > S- 0 0 4 -11,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.505 77.6-114.1 -80.5 153.9 12.1 8.1 7.7 54 56 A P H > S+ 0 0 60 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.916 115.4 53.8 -55.1 -45.6 11.4 10.4 4.7 55 57 A E H > S+ 0 0 118 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.945 111.9 42.7 -55.1 -52.9 9.1 7.8 3.1 56 58 A A H 4 S+ 0 0 9 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.940 115.8 49.0 -60.4 -48.3 6.9 7.4 6.2 57 59 A L H >< S+ 0 0 14 -4,-2.6 7,-2.5 1,-0.2 3,-1.5 0.917 110.0 51.5 -56.8 -46.9 6.8 11.2 6.9 58 60 A A H 3< S+ 0 0 33 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.803 109.9 50.4 -62.0 -29.5 5.9 11.9 3.3 59 61 A L T 3< S+ 0 0 123 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.375 90.0 103.5 -92.6 5.7 3.0 9.4 3.5 60 62 A A S < S- 0 0 10 -3,-1.5 21,-0.2 -4,-0.3 20,-0.1 -0.235 84.4 -84.2 -77.9 173.2 1.6 10.9 6.7 61 63 A T S S+ 0 0 77 19,-1.8 -2,-0.1 18,-0.3 -3,-0.0 -0.915 123.0 12.9-129.6 108.0 -1.5 13.1 6.7 62 64 A P S S- 0 0 75 0, 0.0 -1,-0.2 0, 0.0 20,-0.1 0.657 116.5-100.0 -77.4 170.5 -0.7 15.8 6.1 63 65 A P - 0 0 59 0, 0.0 -5,-0.2 0, 0.0 3,-0.2 -0.286 27.0-157.7 -54.9 137.5 2.9 15.0 4.9 64 66 A R + 0 0 12 -7,-2.5 -6,-0.2 1,-0.2 -7,-0.1 -0.121 60.9 112.0-107.6 33.6 5.3 15.7 7.8 65 67 A D + 0 0 62 -8,-0.3 2,-0.3 -7,-0.1 -1,-0.2 0.059 64.5 61.5 -96.9 24.2 8.2 16.1 5.3 66 68 A N S > S- 0 0 6 -3,-0.2 4,-2.4 -56,-0.1 3,-0.3 -0.984 89.1-108.2-145.3 152.3 8.8 19.8 5.8 67 69 A I H > S+ 0 0 3 -58,-2.4 4,-2.8 -2,-0.3 5,-0.2 0.861 116.8 50.3 -47.2 -47.0 9.9 22.0 8.7 68 70 A A H > S+ 0 0 48 -58,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.918 111.6 48.1 -61.0 -44.3 6.5 23.6 9.1 69 71 A A H > S+ 0 0 12 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.893 113.4 47.3 -64.5 -40.2 4.7 20.3 9.1 70 72 A L H X S+ 0 0 10 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.911 112.0 49.8 -68.7 -41.3 7.1 18.8 11.6 71 73 A V H X S+ 0 0 17 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.927 111.1 49.9 -62.1 -42.9 6.8 21.9 13.9 72 74 A D H X S+ 0 0 72 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.906 105.9 57.9 -59.7 -44.6 3.0 21.7 13.7 73 75 A Y H < S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.896 107.6 44.6 -54.1 -46.9 3.1 18.0 14.6 74 76 A I H < S+ 0 0 22 -4,-1.8 19,-0.5 1,-0.2 -1,-0.2 0.869 116.6 46.8 -68.4 -35.8 4.9 18.6 17.9 75 77 A K H < S+ 0 0 76 -4,-1.9 19,-0.3 1,-0.2 -2,-0.2 0.845 134.6 14.4 -72.3 -33.0 2.6 21.5 18.7 76 78 A N S < S- 0 0 45 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.522 81.4-159.1-146.0 73.3 -0.4 19.4 17.7 77 79 A P + 0 0 0 0, 0.0 9,-2.0 0, 0.0 10,-0.5 -0.211 15.5 177.2 -55.8 135.7 0.3 15.6 17.4 78 80 A T B -B 85 0B 15 7,-0.3 7,-0.2 8,-0.2 4,-0.1 -0.963 35.2 -88.4-138.8 156.4 -2.2 13.6 15.4 79 81 A T > - 0 0 17 5,-2.5 3,-2.4 -2,-0.3 -18,-0.3 -0.020 52.3 -94.8 -55.5 168.6 -2.4 9.9 14.3 80 82 A Y T 3 S+ 0 0 80 1,-0.3 -19,-1.8 2,-0.1 -1,-0.1 0.906 132.0 52.8 -55.4 -42.3 -0.7 8.9 11.1 81 83 A D T 3 S- 0 0 76 -21,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.372 111.0-133.8 -74.8 8.3 -4.0 9.4 9.2 82 84 A G S < S+ 0 0 22 -3,-2.4 -2,-0.1 -4,-0.1 -1,-0.1 0.670 77.3 102.4 47.0 31.4 -3.9 12.8 10.9 83 85 A F + 0 0 116 1,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.514 65.5 62.2-121.3 -1.2 -7.5 12.8 12.0 84 86 A V S S- 0 0 22 -5,-0.0 -5,-2.5 2,-0.0 2,-0.5 -0.990 79.1-131.9-125.0 123.4 -7.3 12.0 15.7 85 87 A E B +B 78 0B 98 -2,-0.5 -7,-0.3 -7,-0.2 3,-0.3 -0.622 24.1 179.5 -76.4 122.2 -5.5 14.3 18.0 86 88 A I >> + 0 0 7 -9,-2.0 4,-2.4 -2,-0.5 3,-1.0 -0.030 43.2 117.8-115.2 32.6 -3.1 12.4 20.2 87 89 A S T 34 + 0 0 12 -10,-0.5 -1,-0.2 1,-0.3 5,-0.1 0.755 70.0 65.5 -68.8 -24.6 -1.6 15.3 22.2 88 90 A E T 34 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.2 88,-0.2 0.760 120.5 19.9 -66.4 -26.3 -3.0 13.8 25.4 89 91 A L T <4 S+ 0 0 26 -3,-1.0 -2,-0.2 -12,-0.1 -1,-0.2 0.522 116.9 69.4-121.0 -14.2 -0.7 10.8 24.9 90 92 A H S < S- 0 0 28 -4,-2.4 -1,-0.1 -13,-0.1 9,-0.1 -0.900 95.6 -91.3-111.3 140.5 2.0 12.1 22.6 91 93 A P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.174 67.8 131.1 -48.9 132.8 4.7 14.7 23.6 92 94 A S S > S- 0 0 0 -5,-0.1 3,-0.9 7,-0.1 -17,-0.2 -0.929 71.2 -89.0-168.5 177.1 3.5 18.2 22.8 93 95 A L T 3 S+ 0 0 63 -19,-0.5 3,-0.3 -2,-0.3 -18,-0.1 0.698 128.7 48.0 -76.3 -19.1 3.3 21.6 24.5 94 96 A K T 3 S+ 0 0 105 -19,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.244 110.9 55.1-101.1 11.2 -0.2 20.8 25.8 95 97 A S X> + 0 0 0 -3,-0.9 3,-1.2 4,-0.1 4,-0.7 0.261 67.3 113.2-123.4 5.0 1.1 17.5 27.0 96 98 A S T 34 + 0 0 31 -3,-0.3 7,-0.2 1,-0.3 6,-0.2 0.551 62.3 78.4 -58.7 -8.0 4.0 18.8 29.1 97 99 A D T 34 S+ 0 0 101 1,-0.2 -1,-0.3 5,-0.1 -2,-0.1 0.951 109.2 23.1 -66.5 -49.7 2.2 17.5 32.2 98 100 A I T <4 S+ 0 0 23 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.339 125.5 57.9 -98.0 4.5 3.3 13.9 31.6 99 101 A F >< - 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