==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 10-JUN-99 1QQ3 . COMPND 2 MOLECULE: CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.ARNESANO,L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,P.D.BARKER, . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7385.0 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 . 14 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 67.0 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 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 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 . 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 85 0, 0.0 2,-0.4 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 138.3 -15.2 -1.8 -5.2 2 2 A D > - 0 0 93 1,-0.1 4,-2.0 41,-0.1 38,-0.1 -0.999 360.0-145.0-137.8 130.4 -15.6 0.9 -2.6 3 3 A L H > S+ 0 0 29 -2,-0.4 4,-2.5 2,-0.3 5,-0.2 0.834 103.8 54.9 -59.4 -39.1 -12.9 3.5 -1.7 4 4 A E H > S+ 0 0 150 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.961 112.4 45.3 -64.4 -39.8 -13.9 3.5 1.9 5 5 A D H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 -2,-0.3 0.865 111.5 53.1 -62.0 -37.9 -13.3 -0.2 1.8 6 6 A N H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.920 109.9 48.6 -65.5 -41.4 -10.1 0.3 -0.1 7 7 A M H X S+ 0 0 51 -4,-2.5 4,-1.9 2,-0.3 -2,-0.2 0.890 112.6 44.8 -68.8 -47.5 -8.8 2.7 2.5 8 8 A E H X S+ 0 0 142 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.935 115.0 52.2 -60.3 -41.7 -9.6 0.5 5.5 9 9 A T H X S+ 0 0 38 -4,-2.5 4,-2.2 1,-0.2 -2,-0.3 0.886 106.4 50.9 -65.7 -38.6 -8.1 -2.4 3.5 10 10 A L H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.938 113.5 46.3 -65.6 -38.7 -4.9 -0.5 2.7 11 11 A N H X S+ 0 0 102 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.877 108.6 54.6 -69.5 -37.9 -4.5 0.3 6.5 12 12 A D H X S+ 0 0 110 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.951 114.2 42.1 -58.3 -49.3 -5.3 -3.4 7.5 13 13 A N H X S+ 0 0 14 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.888 110.7 55.2 -67.2 -38.2 -2.5 -4.6 5.3 14 14 A L H X S+ 0 0 13 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.897 109.1 49.7 -64.7 -36.0 -0.1 -1.8 6.3 15 15 A K H X S+ 0 0 128 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.949 110.9 48.1 -63.3 -51.7 -0.6 -2.8 9.9 16 16 A V H < S+ 0 0 65 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.902 110.8 52.7 -56.3 -42.9 0.1 -6.5 9.0 17 17 A I H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.930 109.1 47.4 -62.5 -47.7 3.2 -5.5 7.1 18 18 A E H 3< S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.860 121.6 38.7 -60.5 -35.0 4.7 -3.5 10.0 19 19 A K T 3< S+ 0 0 164 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.366 92.8 130.0 -92.7 -2.6 3.9 -6.4 12.3 20 20 A A < - 0 0 13 -3,-1.2 3,-0.1 -4,-0.5 -3,-0.1 -0.106 33.9-178.9 -68.1 165.7 4.9 -9.1 9.8 21 21 A D + 0 0 134 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.605 63.3 53.3-132.6 -39.6 7.1 -12.0 10.4 22 22 A N S > S- 0 0 89 1,-0.1 4,-2.1 62,-0.1 -1,-0.2 -0.786 73.1-128.4-106.1 155.2 7.4 -14.0 7.2 23 23 A A H > S+ 0 0 29 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.948 112.4 53.6 -58.5 -51.0 8.3 -12.9 3.7 24 24 A A H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.839 107.7 50.6 -58.4 -34.9 5.1 -14.6 2.4 25 25 A Q H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 113.1 43.9 -71.7 -44.3 2.9 -12.6 4.9 26 26 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.946 115.0 51.4 -58.3 -46.7 4.4 -9.2 3.9 27 27 A K H X S+ 0 0 68 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.921 111.5 44.3 -60.9 -47.7 4.2 -10.1 0.3 28 28 A D H X S+ 0 0 104 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.903 111.9 53.7 -67.6 -37.6 0.5 -11.2 0.4 29 29 A A H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.888 108.8 49.7 -62.4 -38.0 -0.4 -8.1 2.5 30 30 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.886 109.0 53.0 -67.9 -36.5 1.3 -5.9 -0.2 31 31 A T H X S+ 0 0 56 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.923 108.4 50.1 -65.5 -43.1 -0.7 -7.8 -2.8 32 32 A K H X S+ 0 0 126 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.944 111.8 45.6 -63.7 -47.8 -3.9 -7.0 -1.0 33 33 A M H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.799 111.0 57.0 -64.5 -22.0 -3.2 -3.3 -0.6 34 34 A R H X S+ 0 0 99 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.945 108.6 44.4 -71.0 -44.0 -2.2 -3.4 -4.3 35 35 A A H X S+ 0 0 56 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.931 116.3 46.6 -63.1 -45.8 -5.6 -4.8 -5.3 36 36 A A H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.897 112.5 49.6 -65.5 -40.0 -7.4 -2.3 -3.0 37 37 A A H X S+ 0 0 2 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.839 109.7 53.1 -65.1 -33.7 -5.2 0.6 -4.3 38 38 A L H < S+ 0 0 89 -4,-2.1 3,-0.5 2,-0.2 4,-0.4 0.927 111.8 43.8 -64.3 -45.5 -6.0 -0.5 -7.9 39 39 A D H >X S+ 0 0 50 -4,-2.3 3,-1.7 1,-0.2 4,-0.8 0.901 106.7 61.0 -69.7 -32.0 -9.7 -0.4 -7.1 40 40 A A H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.829 93.3 68.9 -57.3 -33.2 -9.1 2.9 -5.3 41 41 A Q T 3< S+ 0 0 44 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.723 111.7 27.7 -59.7 -29.9 -8.0 4.1 -8.8 42 42 A K T <4 S+ 0 0 165 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.278 98.6 102.6-121.6 5.5 -11.5 3.9 -10.3 43 43 A A S << S- 0 0 19 -4,-0.8 -41,-0.1 -3,-0.6 -3,-0.0 -0.338 75.3-118.2 -71.9 173.8 -13.5 4.5 -7.1 44 44 A T - 0 0 100 -2,-0.1 5,-0.1 3,-0.0 -41,-0.1 -0.922 23.4-157.6-121.3 102.3 -15.0 8.0 -6.7 45 45 A P > - 0 0 10 0, 0.0 3,-0.6 0, 0.0 61,-0.0 -0.607 18.6-136.8 -73.9 144.9 -13.8 9.9 -3.6 46 46 A P G > S+ 0 0 113 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.803 105.4 62.4 -68.4 -26.2 -16.1 12.7 -2.3 47 47 A K G 3 S+ 0 0 124 1,-0.3 59,-0.1 58,-0.2 3,-0.0 0.787 121.0 21.2 -72.1 -29.6 -12.9 14.8 -1.9 48 48 A L G < S+ 0 0 18 -3,-0.6 -1,-0.3 1,-0.1 3,-0.0 -0.542 92.1 122.5-131.4 57.3 -12.2 14.6 -5.7 49 49 A E S < S+ 0 0 125 -3,-1.1 -2,-0.1 -5,-0.1 -1,-0.1 0.955 74.8 34.0 -79.1 -61.5 -15.7 13.8 -6.8 50 50 A D S S+ 0 0 151 -4,-0.3 2,-0.1 -3,-0.0 -1,-0.1 0.012 78.6 137.4 -93.3 21.2 -16.5 16.6 -9.1 51 51 A K - 0 0 44 1,-0.1 4,-0.1 2,-0.1 -3,-0.0 -0.511 64.4 -90.7 -66.7 151.2 -13.2 17.4 -10.8 52 52 A S > - 0 0 69 -2,-0.1 3,-0.8 1,-0.1 6,-0.3 -0.077 28.9-122.5 -54.6 151.9 -13.3 18.0 -14.5 53 53 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.713 109.6 40.4 -71.8 -23.4 -12.9 15.0 -16.9 54 54 A D T 3 S+ 0 0 161 4,-0.0 -2,-0.1 5,-0.0 -3,-0.0 -0.308 97.8 122.4-122.5 39.5 -9.9 16.6 -18.7 55 55 A S S X> S- 0 0 39 -3,-0.8 4,-1.1 -4,-0.1 3,-0.7 -0.766 74.7-114.5-119.5 162.0 -8.1 18.1 -15.7 56 56 A P T 34 S+ 0 0 108 0, 0.0 -1,-0.0 0, 0.0 -5,-0.0 0.110 111.0 58.6 -75.2 20.7 -4.8 18.1 -13.7 57 57 A E T 3> S+ 0 0 100 -5,-0.2 4,-1.9 -2,-0.1 5,-0.1 0.650 96.5 53.6-118.5 -36.6 -6.6 16.6 -10.7 58 58 A M H <> S+ 0 0 89 -3,-0.7 4,-1.5 -6,-0.3 5,-0.1 0.918 116.3 41.2 -68.8 -39.9 -8.0 13.3 -12.1 59 59 A K H X S+ 0 0 161 -4,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.903 117.1 47.7 -68.7 -41.9 -4.6 12.3 -13.3 60 60 A D H > S+ 0 0 82 -5,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.756 106.2 61.3 -76.2 -23.0 -2.8 13.6 -10.1 61 61 A F H >X S+ 0 0 18 -4,-1.9 3,-1.6 2,-0.2 4,-0.6 0.993 106.1 42.2 -60.9 -66.3 -5.4 11.8 -7.9 62 62 A R H >X S+ 0 0 103 -4,-1.5 4,-1.8 1,-0.3 3,-0.7 0.783 99.6 75.6 -56.7 -25.7 -4.7 8.3 -9.1 63 63 A H H 3X S+ 0 0 82 -4,-1.2 4,-2.7 1,-0.3 5,-0.3 0.894 86.3 63.3 -56.9 -35.2 -1.0 9.2 -8.9 64 64 A G H S+ 0 0 30 -4,-2.5 5,-2.3 1,-0.2 3,-0.4 0.939 111.9 48.8 -62.2 -50.7 12.4 -7.4 -2.1 79 79 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.879 110.0 53.2 -60.0 -37.9 10.1 -9.6 -0.0 80 80 A N H 3<5S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.822 102.3 57.7 -67.9 -32.1 10.5 -12.4 -2.6 81 81 A E T 3<5S- 0 0 130 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.444 128.6-102.4 -71.0 -1.4 14.4 -12.1 -2.2 82 82 A G T < 5S+ 0 0 48 -3,-1.4 2,-2.2 -4,-0.2 3,-0.3 0.490 79.4 141.4 86.9 4.4 13.7 -12.8 1.5 83 83 A K >< + 0 0 95 -5,-2.3 4,-1.9 1,-0.2 -1,-0.2 -0.467 8.7 155.7 -77.0 73.7 14.1 -9.1 2.4 84 84 A V H > S+ 0 0 35 -2,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.907 75.2 51.9 -57.3 -39.0 11.3 -9.1 5.0 85 85 A K H > S+ 0 0 171 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.929 109.6 43.9 -73.3 -45.6 13.2 -6.1 6.5 86 86 A E H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.813 110.7 57.8 -70.9 -25.3 13.4 -4.0 3.4 87 87 A A H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.905 109.7 44.0 -68.9 -37.6 9.8 -4.9 2.6 88 88 A Q H X S+ 0 0 59 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.884 111.8 53.4 -69.8 -36.0 8.8 -3.4 6.0 89 89 A A H >X S+ 0 0 53 -4,-2.3 3,-1.2 1,-0.3 4,-0.7 0.898 103.1 57.1 -69.0 -34.4 11.1 -0.4 5.4 90 90 A A H >X S+ 0 0 14 -4,-2.3 4,-1.8 1,-0.3 3,-1.2 0.861 92.1 70.8 -61.2 -32.2 9.3 0.1 2.1 91 91 A A H 3X S+ 0 0 9 -4,-1.1 4,-2.6 1,-0.3 -1,-0.3 0.835 90.2 61.5 -57.0 -27.2 6.1 0.4 4.1 92 92 A E H < S+ 0 0 52 -4,-2.5 3,-0.9 2,-0.2 4,-0.3 0.982 116.6 35.7 -67.6 -55.6 1.4 13.2 2.0 101 101 A Y H >X S+ 0 0 38 -4,-2.2 4,-3.0 1,-0.2 3,-2.6 0.978 114.9 58.3 -55.9 -52.9 -1.6 12.7 -0.2 102 102 A H H 3< S+ 0 0 66 -4,-2.5 4,-0.3 -5,-0.5 -1,-0.2 0.621 90.1 72.9 -55.5 -15.2 -3.9 12.6 3.0 103 103 A Q T << S- 0 0 161 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.709 126.7 -0.7 -73.8 -16.9 -2.6 16.1 4.0 104 104 A K T <4 S+ 0 0 144 -3,-2.6 -2,-0.2 -4,-0.3 -3,-0.1 0.562 132.9 55.8-130.0 -40.1 -4.7 17.5 1.1 105 105 A Y < 0 0 59 -4,-3.0 -3,-0.2 -5,-0.2 -58,-0.2 0.526 360.0 360.0 -82.3 -17.1 -6.5 14.6 -0.7 106 106 A R 0 0 211 -5,-0.5 -4,-0.2 -4,-0.3 -1,-0.2 0.323 360.0 360.0-132.0 360.0 -8.2 13.2 2.4