==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 13-DEC-09 3L1M . COMPND 2 MOLECULE: SOLUBLE CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.J.RADFORD,F.A.TEZCAN . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 82.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 0 0 0 1 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 86 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.6 16.0 -1.1 20.3 2 2 A D > - 0 0 74 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.131 360.0 -96.4 -71.6 175.3 15.6 0.8 23.6 3 3 A L H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 124.3 52.7 -59.2 -44.1 15.1 4.5 23.8 4 4 A E H > S+ 0 0 153 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 108.4 49.5 -58.1 -48.6 18.8 5.1 24.4 5 5 A D H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 112.5 47.6 -57.3 -48.3 19.9 3.0 21.4 6 6 A N H X S+ 0 0 8 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.920 109.1 53.6 -60.5 -45.2 17.5 4.9 19.1 7 7 A M H X S+ 0 0 53 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.863 107.6 51.4 -58.7 -36.9 18.6 8.3 20.4 8 8 A E H X S+ 0 0 102 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.935 108.1 51.5 -66.3 -43.7 22.2 7.4 19.7 9 9 A T H X S+ 0 0 50 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.949 113.0 46.2 -56.5 -48.7 21.3 6.5 16.1 10 10 A L H X S+ 0 0 19 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.947 115.0 46.1 -57.5 -52.3 19.5 9.8 15.8 11 11 A N H X S+ 0 0 85 -4,-3.0 4,-1.1 1,-0.2 3,-0.4 0.887 115.7 45.3 -60.7 -42.0 22.4 11.8 17.3 12 12 A D H X S+ 0 0 58 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.868 109.5 52.9 -73.6 -36.5 25.1 10.0 15.2 13 13 A N H X S+ 0 0 17 -4,-2.7 4,-1.1 -5,-0.3 -1,-0.2 0.610 101.6 63.3 -75.3 -8.4 23.2 10.2 11.9 14 14 A L H X S+ 0 0 7 -4,-0.8 4,-1.9 -3,-0.4 -1,-0.2 0.914 106.2 41.9 -78.3 -44.5 22.9 13.9 12.4 15 15 A K H X S+ 0 0 112 -4,-1.1 4,-0.9 2,-0.2 5,-0.2 0.922 111.1 57.3 -66.4 -42.0 26.6 14.5 12.3 16 16 A V H >X S+ 0 0 58 -4,-1.9 4,-1.3 1,-0.3 3,-0.7 0.879 109.0 45.9 -53.6 -40.5 26.9 12.0 9.4 17 17 A I H 3< S+ 0 0 0 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.872 107.3 58.7 -71.1 -34.1 24.5 14.3 7.6 18 18 A E H 3< S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.603 114.6 36.4 -70.3 -10.8 26.5 17.2 8.7 19 19 A K H << S+ 0 0 147 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.540 86.6 131.8-114.7 -14.4 29.6 15.8 6.9 20 20 A A < - 0 0 15 -4,-1.3 3,-0.1 -5,-0.2 -3,-0.1 0.038 41.1-162.6 -43.3 144.5 28.0 14.2 3.9 21 21 A D S S+ 0 0 143 1,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.721 71.1 19.5 -98.1 -32.7 29.5 14.8 0.5 22 22 A N S > S- 0 0 62 1,-0.1 4,-1.5 62,-0.1 3,-0.2 -0.824 79.0-101.3-136.6 175.1 26.4 13.8 -1.5 23 23 A A H > S+ 0 0 20 -2,-0.3 4,-2.9 1,-0.2 3,-0.4 0.936 113.4 58.8 -60.9 -53.3 22.7 13.2 -1.6 24 24 A A H > S+ 0 0 58 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.857 106.2 52.0 -48.1 -37.3 22.8 9.3 -1.3 25 25 A Q H > S+ 0 0 69 2,-0.2 4,-1.9 -3,-0.2 -1,-0.3 0.924 110.2 46.6 -68.7 -42.3 24.7 9.8 1.9 26 26 A V H X S+ 0 0 0 -4,-1.5 4,-2.9 -3,-0.4 5,-0.2 0.934 110.9 52.7 -64.8 -44.5 22.1 12.1 3.4 27 27 A K H X S+ 0 0 69 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.914 108.8 49.3 -56.4 -49.1 19.3 9.8 2.3 28 28 A D H X S+ 0 0 98 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.953 113.9 45.8 -54.5 -54.6 20.8 6.7 4.0 29 29 A A H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.939 114.4 47.4 -54.6 -52.7 21.4 8.6 7.2 30 30 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.835 109.4 54.3 -60.2 -35.6 17.9 10.2 7.2 31 31 A T H X S+ 0 0 82 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.901 109.7 47.1 -66.6 -39.8 16.3 6.8 6.5 32 32 A K H X S+ 0 0 107 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.893 112.1 51.7 -67.9 -38.0 18.1 5.3 9.5 33 33 A M H X S+ 0 0 4 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.934 106.5 52.6 -62.8 -46.7 16.9 8.3 11.5 34 34 A R H X S+ 0 0 85 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.937 110.5 47.7 -53.5 -52.9 13.3 7.9 10.5 35 35 A A H X S+ 0 0 62 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.937 112.3 48.6 -55.0 -52.1 13.2 4.3 11.6 36 36 A A H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.857 109.1 53.6 -60.0 -37.2 14.8 5.0 14.9 37 37 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.920 108.8 48.5 -65.2 -42.7 12.4 7.8 15.7 38 38 A L H X S+ 0 0 62 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.926 113.2 47.4 -62.4 -43.0 9.4 5.6 15.0 39 39 A D H >X S+ 0 0 52 -4,-2.2 3,-0.7 1,-0.2 4,-0.5 0.826 109.8 53.2 -67.8 -32.8 10.8 2.9 17.3 40 40 A A H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.841 94.9 71.1 -69.2 -33.7 11.6 5.4 20.0 41 41 A Q H 3< S+ 0 0 37 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 96.0 53.4 -54.2 -27.0 8.0 6.6 19.8 42 42 A K H << S+ 0 0 163 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.736 90.5 90.2 -83.6 -25.5 7.0 3.3 21.5 43 43 A A S << S- 0 0 27 -3,-1.1 -41,-0.0 -4,-0.5 -3,-0.0 -0.177 72.6-130.2 -68.9 165.5 9.3 3.5 24.5 44 44 A T - 0 0 73 17,-0.0 -41,-0.1 2,-0.0 5,-0.1 -0.979 27.0-125.2-118.7 115.1 8.3 5.1 27.8 45 45 A P > - 0 0 6 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.169 20.9-115.1 -57.1 153.4 11.0 7.5 29.1 46 46 A P G > S+ 0 0 106 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.852 116.7 60.3 -60.5 -31.0 12.3 6.9 32.6 47 47 A K G 3 S+ 0 0 141 58,-0.4 4,-0.2 1,-0.2 59,-0.0 0.292 110.3 41.5 -79.4 13.1 10.7 10.3 33.6 48 48 A L G < S+ 0 0 8 -3,-1.9 -1,-0.2 2,-0.1 7,-0.1 0.178 73.8 110.1-141.0 14.9 7.3 9.0 32.7 49 49 A E S < S+ 0 0 146 -3,-1.1 -2,-0.1 -4,-0.2 -5,-0.0 0.869 87.7 45.1 -59.6 -35.4 7.3 5.4 33.9 50 50 A D S S+ 0 0 156 -4,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.996 90.6 87.3 -68.6 -76.3 4.8 6.5 36.6 51 51 A K S S- 0 0 109 -4,-0.2 4,-0.1 1,-0.1 -3,-0.0 0.153 94.0 -95.6 -28.2 133.2 2.4 8.6 34.5 52 52 A S > - 0 0 69 1,-0.1 3,-2.0 2,-0.1 6,-0.3 -0.098 32.4-109.4 -54.4 155.2 -0.4 6.4 33.1 53 53 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.847 122.0 48.1 -56.8 -35.8 0.0 5.2 29.5 54 54 A D T 3 S+ 0 0 116 4,-0.1 -2,-0.1 5,-0.0 5,-0.1 0.218 87.1 141.4 -90.4 15.3 -2.7 7.5 28.3 55 55 A S <> - 0 0 2 -3,-2.0 4,-2.4 1,-0.1 5,-0.2 -0.243 63.1-124.9 -60.2 142.8 -1.2 10.4 30.2 56 56 A P H > S+ 0 0 104 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.790 114.8 54.6 -58.3 -28.2 -1.2 13.8 28.6 57 57 A E H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.929 107.1 50.1 -70.3 -45.5 2.6 13.8 29.0 58 58 A M H > S+ 0 0 7 -6,-0.3 4,-2.8 1,-0.2 5,-0.3 0.917 108.1 51.1 -58.6 -48.5 2.9 10.5 27.2 59 59 A W H X S+ 0 0 143 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.868 111.7 48.1 -60.2 -34.9 0.8 11.7 24.2 60 60 A D H X S+ 0 0 52 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.867 110.2 53.6 -71.3 -33.6 3.0 14.8 24.0 61 61 A F H X S+ 0 0 7 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.927 114.8 39.0 -64.0 -46.5 6.0 12.5 24.2 62 62 A R H >X S+ 0 0 61 -4,-2.8 4,-0.9 1,-0.2 3,-0.7 0.848 111.8 57.2 -72.2 -35.8 4.8 10.4 21.3 63 63 A H H 3X S+ 0 0 98 -4,-2.4 4,-1.3 -5,-0.3 3,-0.5 0.836 94.4 68.9 -65.3 -30.2 3.5 13.3 19.3 64 64 A G H 3X S+ 0 0 15 -4,-1.6 4,-1.4 1,-0.3 3,-0.3 0.879 98.5 50.7 -54.9 -39.0 7.0 14.8 19.5 65 65 A F H <>S+ 0 0 24 -4,-2.2 5,-1.6 2,-0.2 3,-0.6 0.909 114.2 48.0 -65.5 -44.8 15.0 17.6 -0.6 79 79 A A H ><5S+ 0 0 1 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.907 108.5 56.6 -62.1 -39.1 17.8 15.0 -0.6 80 80 A N H 3<5S+ 0 0 96 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.768 103.8 54.4 -62.8 -24.9 15.7 13.1 -3.2 81 81 A E T <<5S- 0 0 102 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.354 118.5-110.7 -90.4 5.6 15.8 16.3 -5.3 82 82 A G T < 5S+ 0 0 49 -3,-1.9 2,-1.9 1,-0.2 3,-0.2 0.422 76.5 134.9 82.1 -3.2 19.6 16.5 -5.3 83 83 A K >< + 0 0 95 -5,-1.6 4,-1.0 1,-0.2 -1,-0.2 -0.589 22.0 165.5 -82.0 83.4 19.5 19.6 -3.1 84 84 A V H > + 0 0 31 -2,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.848 66.6 54.1 -69.0 -39.2 22.2 18.4 -0.7 85 85 A K H > S+ 0 0 167 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.908 114.8 38.4 -65.6 -44.6 22.9 21.7 1.0 86 86 A E H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.698 110.3 59.4 -83.7 -14.7 19.3 22.5 2.0 87 87 A A H X S+ 0 0 0 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.865 109.8 46.5 -74.4 -33.4 18.7 18.8 2.9 88 88 A Q H X S+ 0 0 27 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.922 111.6 49.3 -70.4 -43.9 21.5 19.4 5.3 89 89 A A H X S+ 0 0 47 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.953 109.9 51.4 -59.5 -48.0 20.1 22.7 6.5 90 90 A A H < S+ 0 0 14 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.872 106.3 57.1 -54.9 -37.5 16.7 20.9 7.0 91 91 A A H >< S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.2 4,-0.3 0.948 106.5 47.2 -58.8 -51.7 18.6 18.3 9.0 92 92 A E H >< S+ 0 0 69 -4,-2.1 3,-3.1 1,-0.3 4,-0.3 0.934 100.5 65.1 -56.0 -50.7 19.9 20.9 11.4 93 93 A Q T >< S+ 0 0 118 -4,-2.4 3,-0.8 1,-0.3 4,-0.5 0.657 87.6 74.7 -47.9 -16.5 16.5 22.5 11.8 94 94 A L T X> S+ 0 0 2 -3,-1.6 4,-2.2 -4,-0.4 3,-0.7 0.788 76.3 75.2 -68.9 -29.2 15.5 19.2 13.4 95 95 A K H <> S+ 0 0 76 -3,-3.1 4,-3.3 -4,-0.3 5,-0.3 0.825 84.3 66.1 -52.7 -33.2 17.5 20.0 16.6 96 96 A T H <> S+ 0 0 104 -3,-0.8 4,-2.5 -4,-0.3 -1,-0.3 0.950 106.3 41.1 -53.6 -50.6 14.7 22.4 17.5 97 97 A T H <> S+ 0 0 20 -3,-0.7 4,-2.4 -4,-0.5 5,-0.3 0.972 113.8 53.5 -62.4 -53.1 12.4 19.4 17.9 98 98 A C H X S+ 0 0 34 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.928 113.2 42.3 -45.2 -60.4 15.1 17.4 19.6 99 99 A N H X S+ 0 0 86 -4,-3.3 4,-2.3 1,-0.2 3,-0.4 0.952 109.5 58.5 -53.5 -55.9 15.7 20.1 22.2 100 100 A A H X S+ 0 0 42 -4,-2.5 4,-0.6 -5,-0.3 -1,-0.2 0.879 111.5 40.2 -40.9 -53.6 12.1 20.8 22.8 101 101 A C H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 5,-0.5 0.834 112.0 58.7 -70.8 -30.0 11.3 17.2 23.8 102 102 A H H X S+ 0 0 45 -4,-1.9 4,-1.8 -3,-0.4 -2,-0.2 0.886 102.7 49.5 -66.5 -41.8 14.5 16.9 25.8 103 103 A Q H < S+ 0 0 167 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.636 117.0 42.5 -76.3 -11.8 13.9 19.8 28.2 104 104 A K H < S+ 0 0 109 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.826 135.1 8.8 -99.1 -40.1 10.4 18.5 29.0 105 105 A Y H < 0 0 31 -4,-2.4 -58,-0.4 -5,-0.1 -3,-0.2 0.595 360.0 360.0-120.6 -12.4 11.0 14.8 29.3 106 106 A R < 0 0 200 -4,-1.8 -4,-0.0 -5,-0.5 0, 0.0 -0.648 360.0 360.0 -84.2 360.0 14.7 14.0 29.2