==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 02-MAR-01 1I6D . COMPND 2 MOLECULE: CYTOCHROME C552; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR B.REINCKE,C.PEREZ,P.PRISTOVSEK,C.LUECKE,C.LUDWIG,F.LOEHR, . 100 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 68.0 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 . 4 4.0 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 . 1 1.0 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 . 1 1.0 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 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 33.0 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+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 0 1 0 1 1 0 0 0 1 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 . 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 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 M 0 0 142 0, 0.0 2,-1.5 0, 0.0 93,-0.2 0.000 360.0 360.0 360.0 90.1 3.2 -2.2 -1.5 2 2 A A + 0 0 81 92,-0.1 89,-0.2 91,-0.1 85,-0.0 -0.552 360.0 150.0 -86.5 80.2 1.0 0.7 -2.9 3 3 A D > - 0 0 80 -2,-1.5 4,-2.4 1,-0.1 92,-0.2 -0.894 30.0-168.0-116.9 103.8 -0.9 -1.1 -5.7 4 4 A P H > S+ 0 0 63 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.829 88.1 55.9 -59.7 -36.0 -4.6 0.2 -6.6 5 5 A A H > S+ 0 0 72 2,-0.2 4,-1.1 1,-0.2 3,-0.0 0.931 113.1 40.7 -63.4 -46.3 -5.5 -2.9 -8.9 6 6 A A H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 111.1 60.4 -61.1 -40.0 -4.7 -5.4 -6.0 7 7 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 84,-0.4 -2,-0.2 0.831 97.8 56.8 -56.1 -36.5 -6.5 -2.8 -3.6 8 8 A E H X S+ 0 0 89 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.919 108.2 48.0 -54.3 -47.3 -9.7 -3.2 -5.6 9 9 A K H >< S+ 0 0 171 -4,-1.1 3,-1.1 2,-0.2 4,-0.2 0.924 112.0 48.0 -59.2 -46.5 -9.5 -7.0 -4.8 10 10 A V H >< S+ 0 0 12 -4,-2.2 3,-1.7 1,-0.2 4,-0.4 0.899 101.6 65.3 -61.7 -39.5 -8.8 -6.2 -1.0 11 11 A F H >X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 3,-0.8 0.679 77.8 87.3 -54.8 -17.1 -11.9 -3.8 -1.2 12 12 A G T << S+ 0 0 32 -3,-1.1 4,-0.4 -4,-0.5 -1,-0.2 0.834 86.9 51.8 -44.0 -38.0 -14.0 -7.0 -1.8 13 13 A K T <4 S+ 0 0 124 -3,-1.7 -1,-0.2 -4,-0.2 4,-0.2 0.773 115.3 41.5 -65.3 -31.9 -14.2 -7.2 2.1 14 14 A C T X> S+ 0 0 19 -3,-0.8 4,-2.6 -4,-0.4 3,-1.4 0.842 95.4 75.5 -85.3 -39.8 -15.5 -3.5 2.2 15 15 A K T 3< S+ 0 0 133 -4,-2.6 -3,-0.1 1,-0.2 -1,-0.1 0.708 85.0 64.2 -54.4 -30.7 -18.0 -3.4 -0.8 16 16 A A T 34 S+ 0 0 93 -4,-0.4 -1,-0.2 1,-0.1 10,-0.2 0.842 122.6 19.5 -59.1 -36.8 -20.9 -5.3 1.0 17 17 A C T <4 S+ 0 0 57 -3,-1.4 10,-2.3 -4,-0.2 9,-0.7 0.788 122.5 57.8 -94.7 -40.5 -21.2 -2.5 3.6 18 18 A H < - 0 0 27 -4,-2.6 2,-0.6 8,-0.2 11,-0.2 -0.841 66.6-150.5-110.7 132.4 -19.5 0.6 1.9 19 19 A K B > -A 23 0A 102 4,-0.6 4,-0.7 8,-0.4 12,-0.5 -0.842 8.8-165.8-110.0 115.8 -20.6 2.1 -1.5 20 20 A L T 4 S+ 0 0 30 -2,-0.6 2,-1.9 1,-0.2 -1,-0.1 0.789 77.3 79.9 -66.2 -29.6 -18.1 3.9 -3.9 21 21 A D T 4 S- 0 0 154 1,-0.1 -1,-0.2 9,-0.0 8,-0.0 -0.296 122.6 -84.5 -79.6 58.2 -20.8 5.6 -6.2 22 22 A G T 4 S+ 0 0 48 -2,-1.9 2,-0.3 1,-0.1 -2,-0.1 0.696 91.0 129.3 51.3 30.7 -21.5 8.5 -3.6 23 23 A N B < -A 19 0A 94 -4,-0.7 -4,-0.6 5,-0.1 2,-0.5 -0.868 47.1-150.8-124.4 148.8 -24.1 6.5 -1.4 24 24 A D + 0 0 55 -2,-0.3 -6,-0.1 4,-0.1 5,-0.0 -0.949 38.6 130.5-124.7 110.5 -24.4 5.9 2.4 25 25 A G S S- 0 0 38 2,-1.8 -7,-0.1 -2,-0.5 -1,-0.1 0.463 81.6 -10.8-123.9 -99.4 -26.0 2.5 3.6 26 26 A V S S+ 0 0 108 -9,-0.7 -8,-0.2 1,-0.2 -9,-0.1 0.954 144.1 14.3 -74.5 -56.8 -24.6 0.1 6.2 27 27 A G S S- 0 0 7 -10,-2.3 -2,-1.8 1,-0.1 -8,-0.4 -0.776 99.1 -98.0-101.5 165.3 -21.2 2.0 6.1 28 28 A P - 0 0 14 0, 0.0 2,-0.6 0, 0.0 -9,-0.3 -0.041 53.8 -69.1 -70.5 178.6 -20.7 5.5 4.5 29 29 A H - 0 0 46 -11,-0.2 -9,-0.2 1,-0.1 -5,-0.1 -0.574 37.0-163.7 -74.0 112.7 -19.3 6.4 1.0 30 30 A L > + 0 0 23 -2,-0.6 3,-0.9 -7,-0.1 2,-0.5 0.516 63.1 102.7 -77.8 -0.6 -15.5 5.5 0.7 31 31 A N T 3 S+ 0 0 64 -12,-0.5 69,-0.2 1,-0.2 65,-0.1 -0.722 94.2 17.1 -75.3 118.7 -15.0 7.7 -2.5 32 32 A G T 3 S+ 0 0 23 67,-2.6 -1,-0.2 -2,-0.5 68,-0.2 0.852 89.9 125.4 78.1 38.8 -13.3 10.8 -1.0 33 33 A V X + 0 0 5 -3,-0.9 3,-2.1 66,-0.7 2,-0.4 0.801 39.2 90.8 -93.7 -36.3 -12.1 9.3 2.4 34 34 A V T 3 S+ 0 0 16 62,-0.5 24,-0.2 1,-0.3 -2,-0.0 -0.510 108.1 9.2 -72.3 117.3 -8.3 10.0 2.5 35 35 A G T 3 S+ 0 0 47 22,-2.3 -1,-0.3 -2,-0.4 2,-0.2 0.303 100.0 133.1 88.4 -7.4 -8.0 13.4 4.3 36 36 A R < - 0 0 39 -3,-2.1 21,-2.8 21,-0.3 -1,-0.3 -0.518 63.6 -98.2 -79.0 144.5 -11.8 13.5 5.3 37 37 A T B > -B 56 0B 77 19,-0.3 3,-2.3 -2,-0.2 2,-0.3 -0.193 40.5-100.1 -59.9 143.5 -12.8 14.4 8.9 38 38 A V T 3 S+ 0 0 11 17,-2.2 17,-0.1 1,-0.3 -1,-0.1 -0.554 115.4 6.8 -71.4 122.5 -13.6 11.6 11.4 39 39 A A T 3 S+ 0 0 22 -2,-0.3 2,-1.1 15,-0.1 -1,-0.3 0.561 96.3 143.1 66.5 18.2 -17.5 11.4 11.4 40 40 A G < + 0 0 31 -3,-2.3 2,-0.3 1,-0.1 -3,-0.2 -0.304 29.7 95.8 -93.7 56.0 -17.5 14.0 8.5 41 41 A V > - 0 0 19 -2,-1.1 3,-1.3 3,-0.2 2,-0.9 -0.855 60.9-152.8-133.0 104.5 -20.4 12.9 6.2 42 42 A D T 3 S+ 0 0 177 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.631 89.5 48.0 -74.8 103.0 -23.7 14.9 7.0 43 43 A G T 3 S+ 0 0 76 -2,-0.9 2,-0.4 1,-0.4 -1,-0.2 -0.095 91.2 83.5 145.8 -50.3 -26.1 12.2 5.9 44 44 A F S < S- 0 0 31 -3,-1.3 2,-1.3 -5,-0.1 -1,-0.4 -0.755 79.0-125.3 -86.7 136.9 -24.7 9.0 7.6 45 45 A N - 0 0 141 -2,-0.4 2,-0.1 -3,-0.1 -3,-0.1 -0.620 36.7-165.0 -80.3 90.6 -25.8 8.3 11.3 46 46 A Y - 0 0 37 -2,-1.3 2,-0.1 -5,-0.2 30,-0.0 -0.442 21.1-104.8 -76.6 148.7 -22.3 7.9 13.0 47 47 A S >> - 0 0 28 -2,-0.1 4,-1.6 1,-0.1 3,-0.6 -0.364 29.9-114.1 -66.3 149.2 -21.7 6.4 16.6 48 48 A D H 3> S+ 0 0 116 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.878 114.2 55.2 -57.2 -43.9 -20.9 8.8 19.5 49 49 A P H 3> S+ 0 0 49 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.807 106.1 53.6 -58.5 -29.8 -17.1 7.5 20.1 50 50 A M H <> S+ 0 0 14 -3,-0.6 4,-1.4 25,-0.3 -2,-0.2 0.919 112.6 43.3 -64.6 -44.4 -16.4 8.3 16.3 51 51 A K H < S+ 0 0 123 -4,-1.6 -3,-0.1 1,-0.2 -1,-0.1 0.922 116.1 47.8 -64.0 -46.0 -17.7 11.9 16.9 52 52 A A H < S+ 0 0 92 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.720 107.1 58.4 -68.0 -23.1 -15.7 12.2 20.3 53 53 A H H < S+ 0 0 102 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.972 84.7 170.3 -65.6 -59.5 -12.5 10.8 18.7 54 54 A G < + 0 0 27 -4,-1.4 2,-0.2 1,-0.1 -15,-0.1 -0.089 18.7 101.4 74.1-174.1 -12.1 13.5 15.9 55 55 A G S S- 0 0 50 -17,-0.1 -17,-2.2 2,-0.1 2,-0.3 -0.560 70.8 -68.7 93.7-162.2 -9.2 14.3 13.4 56 56 A D B -B 37 0B 86 -19,-0.3 2,-1.8 -2,-0.2 -19,-0.3 -0.967 44.7-100.4-133.2 152.7 -8.9 13.4 9.7 57 57 A W + 0 0 23 -21,-2.8 -22,-2.3 -24,-0.3 -21,-0.3 -0.445 51.7 168.8 -80.8 80.9 -8.4 10.0 7.8 58 58 A T > - 0 0 69 -2,-1.8 4,-3.0 -24,-0.2 5,-0.2 -0.448 49.8-103.8 -79.6 159.2 -4.6 10.0 7.0 59 59 A P H > S+ 0 0 63 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.913 124.0 49.4 -50.6 -46.2 -2.7 6.7 5.7 60 60 A E H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.928 114.2 44.3 -55.0 -51.7 -1.2 6.2 9.2 61 61 A A H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.912 114.3 50.6 -60.3 -44.5 -4.7 6.6 11.0 62 62 A L H X S+ 0 0 9 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.921 109.4 49.4 -58.9 -48.1 -6.4 4.3 8.3 63 63 A Q H X S+ 0 0 52 -4,-2.7 4,-0.9 -5,-0.2 -2,-0.2 0.877 114.2 46.2 -62.8 -37.1 -3.7 1.4 8.7 64 64 A E H X S+ 0 0 98 -4,-1.7 4,-1.8 -5,-0.2 3,-0.5 0.971 116.5 44.5 -60.6 -56.5 -4.1 1.5 12.5 65 65 A F H < S+ 0 0 12 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.881 113.6 49.4 -57.9 -42.9 -8.0 1.5 12.2 66 66 A L H < S+ 0 0 18 -4,-3.1 17,-2.8 -5,-0.2 -1,-0.2 0.695 105.7 59.1 -72.6 -16.3 -8.1 -1.3 9.5 67 67 A T H < S- 0 0 61 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.949 138.9 -15.5 -68.0 -53.5 -5.7 -3.4 11.8 68 68 A N X - 0 0 80 -4,-1.8 4,-1.8 14,-0.1 3,-0.2 -0.740 66.6-175.0-147.1 106.4 -8.4 -3.3 14.6 69 69 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 7,-0.1 0.899 85.6 48.9 -73.0 -40.3 -11.3 -0.7 14.3 70 70 A K H 4 S+ 0 0 108 10,-0.4 5,-0.4 2,-0.2 6,-0.1 0.664 112.1 50.9 -73.1 -16.3 -13.1 -1.3 17.7 71 71 A A H 4 S+ 0 0 70 -3,-0.2 3,-0.3 -6,-0.1 -1,-0.2 0.879 116.8 39.3 -75.3 -45.0 -9.7 -1.1 19.5 72 72 A V H < S+ 0 0 56 -4,-1.8 2,-0.8 1,-0.3 -2,-0.2 0.976 128.1 31.8 -68.3 -58.5 -8.8 2.3 17.8 73 73 A V S >< S- 0 0 2 -4,-2.6 3,-1.6 -5,-0.2 2,-0.8 -0.850 93.4-144.2 -99.5 96.8 -12.3 4.0 17.9 74 74 A K T 3 S+ 0 0 183 -2,-0.8 -3,-0.1 -3,-0.3 -4,-0.1 -0.471 83.5 14.2 -73.9 102.1 -13.6 2.3 21.2 75 75 A G T 3 S+ 0 0 46 -2,-0.8 -1,-0.3 -5,-0.4 2,-0.3 0.702 83.7 156.0 94.6 31.5 -17.4 1.7 20.6 76 76 A T < - 0 0 16 -3,-1.6 -1,-0.2 -27,-0.2 -30,-0.0 -0.621 47.7-130.6 -74.1 142.4 -17.7 2.2 16.7 77 77 A K S S+ 0 0 127 -2,-0.3 2,-0.9 2,-0.1 -1,-0.1 0.371 71.8 118.8 -71.7 7.2 -20.6 0.5 14.9 78 78 A M - 0 0 40 1,-0.1 2,-1.7 2,-0.1 -8,-0.2 -0.657 54.1-156.4 -78.3 106.6 -18.2 -1.0 12.2 79 79 A A + 0 0 97 -2,-0.9 2,-0.3 -10,-0.1 -1,-0.1 -0.534 49.0 122.2 -82.7 75.8 -18.4 -4.9 12.5 80 80 A F - 0 0 51 -2,-1.7 -10,-0.4 1,-0.1 -2,-0.1 -0.993 46.8-160.1-139.2 128.4 -14.9 -5.7 11.0 81 81 A A - 0 0 89 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.977 53.4 -74.1 -74.3 -58.4 -12.1 -7.7 12.8 82 82 A G - 0 0 21 -14,-0.2 -15,-0.2 -13,-0.1 -1,-0.2 -0.822 14.3-114.9 169.1 154.0 -8.9 -6.7 10.9 83 83 A L - 0 0 4 -17,-2.8 6,-0.1 -2,-0.2 -15,-0.0 -0.905 35.3-174.0 -97.6 99.7 -6.5 -6.7 7.9 84 84 A P + 0 0 110 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.866 58.0 75.1 -70.7 -35.6 -3.3 -8.4 9.5 85 85 A K > - 0 0 138 1,-0.1 4,-1.7 -18,-0.0 5,-0.1 -0.622 69.7-145.7 -79.0 129.0 -0.8 -8.1 6.6 86 86 A I H > S+ 0 0 81 -2,-0.4 4,-3.0 2,-0.2 5,-0.2 0.871 100.6 62.5 -50.2 -42.0 0.9 -4.6 5.8 87 87 A E H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 105.0 44.8 -52.4 -52.6 0.8 -5.6 2.0 88 88 A D H > S+ 0 0 55 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 114.8 49.1 -59.3 -43.5 -3.1 -5.8 2.0 89 89 A R H X S+ 0 0 33 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.955 113.6 45.4 -60.0 -52.4 -3.4 -2.4 4.0 90 90 A A H X S+ 0 0 23 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.887 113.9 50.6 -57.8 -41.4 -0.9 -0.6 1.6 91 91 A N H X S+ 0 0 25 -4,-2.5 4,-1.8 -5,-0.2 -84,-0.4 0.965 114.6 42.4 -56.1 -56.8 -2.8 -2.1 -1.5 92 92 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.925 113.4 51.5 -60.3 -46.3 -6.3 -0.9 -0.2 93 93 A I H X S+ 0 0 9 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.893 107.8 53.8 -60.4 -39.7 -5.1 2.6 1.0 94 94 A A H X S+ 0 0 8 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.902 110.1 47.3 -55.3 -43.0 -3.5 3.1 -2.6 95 95 A Y H X S+ 0 0 36 -4,-1.8 4,-2.6 -92,-0.2 -2,-0.2 0.902 110.1 51.9 -63.0 -42.1 -7.1 2.3 -4.0 96 96 A L H < S+ 0 0 5 -4,-2.6 -62,-0.5 2,-0.2 -64,-0.3 0.850 108.1 52.3 -60.1 -35.6 -8.6 4.8 -1.4 97 97 A E H < S+ 0 0 96 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.847 111.2 47.0 -65.3 -36.7 -6.0 7.4 -2.8 98 98 A G H < S+ 0 0 55 -4,-1.7 2,-1.0 1,-0.2 -2,-0.2 0.889 111.5 51.3 -62.9 -43.1 -7.3 6.6 -6.4 99 99 A Q < 0 0 60 -4,-2.6 -67,-2.6 -5,-0.1 -66,-0.7 -0.483 360.0 360.0 -88.2 61.3 -11.0 6.9 -5.1 100 100 A Q 0 0 146 -2,-1.0 -69,-0.1 -3,-0.4 -3,-0.1 -0.960 360.0 360.0-124.9 360.0 -10.3 10.4 -3.5