==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 03-MAR-00 1C7M . COMPND 2 MOLECULE: PROTEIN (CYTOCHROME C552); . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR P.PRISTOVSEK,C.LUECKE,B.REINCKE,B.LUDWIG,H.RUETERJANS . 100 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 65.0 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 . 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 . 16 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 31.0 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 1 1 0 0 0 0 1 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 . 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 M 0 0 123 0, 0.0 2,-0.3 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 67.5 1.8 -0.5 -0.7 2 2 A A + 0 0 69 91,-0.1 89,-0.1 92,-0.1 85,-0.0 -0.688 360.0 161.3-130.5 79.3 4.1 -3.0 -2.7 3 3 A D > - 0 0 96 -2,-0.3 4,-1.7 84,-0.2 92,-0.2 -0.860 19.8-169.4-104.3 104.7 4.9 -1.2 -6.1 4 4 A P H > S+ 0 0 72 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.833 86.0 55.0 -71.3 -30.0 8.0 -2.8 -7.8 5 5 A A H >> S+ 0 0 86 2,-0.2 4,-0.9 1,-0.2 3,-0.6 0.911 109.7 48.0 -63.3 -41.9 8.4 -0.0 -10.6 6 6 A A H 3> S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.869 105.0 60.9 -62.2 -36.3 8.6 2.6 -7.7 7 7 A G H 3X S+ 0 0 0 -4,-1.7 4,-2.1 84,-0.4 -1,-0.2 0.685 95.0 62.8 -61.4 -20.1 11.2 0.3 -5.9 8 8 A E H X S+ 0 0 8 -4,-1.9 3,-1.5 1,-0.2 4,-0.5 0.920 106.0 57.7 -62.6 -43.7 14.3 3.8 -4.5 11 11 A F H >X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 3,-0.5 0.753 88.0 76.1 -58.7 -22.9 17.0 1.2 -5.5 12 12 A G H 3< S+ 0 0 44 -4,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.800 90.3 56.6 -53.3 -29.8 18.9 4.1 -7.3 13 13 A K H <4 S+ 0 0 130 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.831 116.2 36.0 -63.1 -38.9 19.9 5.1 -3.7 14 14 A C H XX S+ 0 0 23 -3,-0.5 4,-2.2 -4,-0.5 3,-1.6 0.797 97.2 82.3 -76.7 -37.2 21.5 1.6 -3.2 15 15 A K T 3< S+ 0 0 95 -4,-2.3 -3,-0.1 1,-0.3 -1,-0.1 0.558 78.7 62.9 -74.8 -10.0 22.9 0.8 -6.8 16 16 A A T 34 S+ 0 0 83 -4,-0.4 -1,-0.3 -3,-0.1 10,-0.2 0.861 122.4 26.6 -62.7 -38.4 26.3 2.7 -6.6 17 17 A C T <4 S+ 0 0 55 -3,-1.6 10,-1.4 -4,-0.2 9,-1.1 0.873 127.0 42.9 -85.6 -46.3 27.1 0.1 -3.7 18 18 A H < + 0 0 22 -4,-2.2 -1,-0.2 -7,-0.2 11,-0.1 -0.909 54.5 177.2-115.2 130.2 24.9 -3.0 -4.6 19 19 A K - 0 0 71 -2,-0.4 2,-0.8 5,-0.3 10,-0.1 0.822 22.3-149.1 -99.8 -37.5 24.4 -4.5 -8.2 20 20 A L S S+ 0 0 13 8,-0.2 2,-1.7 1,-0.1 11,-0.3 -0.397 80.6 86.7 85.1 -51.1 22.1 -7.7 -8.2 21 21 A D S S- 0 0 134 -2,-0.8 2,-1.5 1,-0.1 -1,-0.1 -0.408 113.4 -89.0 -87.3 64.8 24.1 -9.1 -11.3 22 22 A G S S+ 0 0 43 -2,-1.7 7,-0.2 1,-0.1 -1,-0.1 0.074 101.2 104.8 68.7 -30.4 27.1 -10.9 -9.5 23 23 A N - 0 0 121 -2,-1.5 2,-0.9 1,-0.2 -1,-0.1 0.755 48.5-177.2 -55.9 -39.2 29.5 -7.9 -9.4 24 24 A D + 0 0 30 1,-0.0 2,-0.8 4,-0.0 3,-0.4 -0.590 11.8 164.6 69.8 -95.7 29.3 -7.0 -5.6 25 25 A G S S- 0 0 63 -2,-0.9 -7,-0.1 1,-0.2 -8,-0.1 -0.774 73.3 -5.2 95.2-102.9 31.6 -3.8 -5.5 26 26 A V S S+ 0 0 104 -9,-1.1 -1,-0.2 -2,-0.8 -8,-0.1 0.891 142.4 22.1 -89.2 -60.8 31.1 -1.8 -2.2 27 27 A G S S- 0 0 10 -10,-1.4 -8,-0.3 -3,-0.4 -1,-0.2 -0.615 98.2 -91.2 -94.5 167.7 28.1 -3.9 -0.8 28 28 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 -8,-0.2 -0.131 49.2 -82.4 -68.2 169.3 27.3 -7.7 -1.8 29 29 A H - 0 0 40 -7,-0.2 15,-0.1 -11,-0.1 -11,-0.0 -0.598 36.1-158.8 -68.2 125.8 24.9 -8.9 -4.7 30 30 A L > + 0 0 28 -2,-0.4 3,-1.6 -6,-0.1 2,-1.3 0.027 33.4 150.6 -97.1 28.5 21.2 -8.7 -3.3 31 31 A N T 3 S- 0 0 46 1,-0.3 69,-0.2 -11,-0.3 66,-0.1 -0.383 87.0 -10.4 -71.0 85.8 19.7 -11.3 -5.9 32 32 A G T 3 S+ 0 0 21 -2,-1.3 -1,-0.3 64,-0.8 65,-0.1 0.909 81.7 155.6 74.6 53.5 16.9 -12.7 -3.7 33 33 A V X + 0 0 12 -3,-1.6 3,-2.0 63,-0.3 2,-0.7 0.755 50.6 91.9 -70.8 -27.5 18.0 -11.1 -0.3 34 34 A V T 3 S+ 0 0 28 62,-0.3 24,-0.2 1,-0.3 3,-0.1 -0.602 105.2 12.8 -71.2 106.8 14.3 -11.4 1.0 35 35 A G T 3 S+ 0 0 52 22,-2.8 2,-0.3 -2,-0.7 -1,-0.3 0.507 104.2 119.6 90.2 8.0 14.5 -14.9 2.7 36 36 A R S < S- 0 0 55 -3,-2.0 21,-3.2 21,-0.4 -1,-0.3 -0.749 70.2 -96.8 -93.5 152.4 18.4 -15.1 2.6 37 37 A T - 0 0 57 -2,-0.3 3,-0.4 19,-0.3 2,-0.4 -0.214 41.8 -99.4 -54.4 153.1 20.6 -15.5 5.8 38 38 A V S S+ 0 0 3 16,-2.3 16,-0.3 1,-0.2 -1,-0.1 -0.668 118.4 23.5 -77.2 127.5 22.3 -12.4 7.3 39 39 A A S S+ 0 0 20 -2,-0.4 -1,-0.2 14,-0.1 -2,-0.1 0.964 89.6 151.8 63.7 64.7 25.9 -12.6 5.9 40 40 A G + 0 0 13 -3,-0.4 2,-0.4 -4,-0.1 -3,-0.1 -0.186 27.9 91.6-126.7 46.6 24.8 -14.7 2.9 41 41 A V > - 0 0 11 3,-0.2 3,-1.4 -11,-0.0 2,-0.9 -0.911 66.1-140.9-134.5 106.9 27.1 -14.2 -0.2 42 42 A D T 3 S+ 0 0 182 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.526 93.4 36.4 -72.9 100.5 30.0 -16.8 -0.3 43 43 A G T 3 S+ 0 0 84 -2,-0.9 -1,-0.2 1,-0.4 2,-0.2 -0.090 90.5 100.4 142.0 -47.7 32.8 -14.5 -1.6 44 44 A F S < S- 0 0 52 -3,-1.4 2,-1.0 1,-0.1 -1,-0.4 -0.544 72.9-123.2 -76.8 139.5 32.1 -11.0 0.1 45 45 A N - 0 0 138 -2,-0.2 2,-0.1 -3,-0.1 -1,-0.1 -0.682 38.9-165.6 -82.3 99.4 34.1 -9.9 3.3 46 46 A Y - 0 0 38 -2,-1.0 2,-0.1 1,-0.1 30,-0.0 -0.450 18.8-103.5 -87.1 158.9 31.3 -9.3 5.9 47 47 A S > - 0 0 10 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.362 32.9-108.8 -72.6 156.3 31.4 -7.4 9.4 48 48 A D H > S+ 0 0 143 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 116.8 45.1 -54.9 -51.5 31.5 -9.3 12.8 49 49 A P H > S+ 0 0 34 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.785 112.1 53.9 -68.2 -25.3 27.8 -8.4 13.9 50 50 A M H > S+ 0 0 15 25,-0.2 4,-1.2 2,-0.2 3,-0.2 0.942 113.9 41.5 -65.2 -49.4 26.4 -9.3 10.4 51 51 A K H < S+ 0 0 131 -4,-2.3 -3,-0.2 1,-0.2 -1,-0.1 0.909 113.5 53.5 -60.7 -45.4 28.1 -12.8 10.7 52 52 A A H < S+ 0 0 83 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.710 104.0 58.4 -64.6 -21.8 27.0 -13.2 14.4 53 53 A H H < S+ 0 0 82 -4,-1.0 2,-0.3 -3,-0.2 -2,-0.2 0.981 70.6 153.6 -65.6 -62.1 23.3 -12.5 13.4 54 54 A G < + 0 0 19 -4,-1.2 -16,-2.3 -16,-0.3 -1,-0.1 -0.512 31.1 95.9 68.4-127.6 22.8 -15.4 10.9 55 55 A G S S- 0 0 58 -2,-0.3 2,-0.3 -18,-0.2 -1,-0.1 -0.172 85.9 -56.3 59.2-122.6 19.0 -16.4 10.7 56 56 A D - 0 0 88 -19,-0.2 2,-1.3 -3,-0.1 -19,-0.3 -0.970 28.6-119.7-154.7 151.8 17.2 -14.6 7.8 57 57 A W - 0 0 14 -21,-3.2 -22,-2.8 -24,-0.3 -21,-0.4 -0.668 44.2-174.9 -81.1 87.3 16.4 -11.2 6.2 58 58 A T > - 0 0 61 -2,-1.3 2,-2.3 -24,-0.2 4,-2.3 -0.416 42.8-100.2 -72.7 157.9 12.5 -11.4 6.4 59 59 A P T 4 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -25,-0.0 -0.205 126.4 43.4 -71.6 54.9 10.2 -8.6 4.8 60 60 A E T > S+ 0 0 155 -2,-2.3 4,-1.0 0, 0.0 5,-0.2 0.175 109.6 49.9-169.6 -59.9 9.9 -7.2 8.4 61 61 A A H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.937 115.4 47.8 -56.3 -46.8 13.5 -7.4 9.7 62 62 A L H X S+ 0 0 9 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.837 102.0 65.7 -57.3 -36.9 14.5 -5.6 6.4 63 63 A Q H 4 S+ 0 0 31 -5,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.819 114.5 28.4 -60.3 -34.3 11.7 -2.9 7.0 64 64 A E H >X S+ 0 0 111 -4,-1.0 4,-2.8 -3,-0.5 3,-0.7 0.782 119.1 56.5 -94.7 -32.7 13.4 -1.5 10.2 65 65 A F H 3< S+ 0 0 12 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.901 104.1 55.0 -58.0 -42.3 17.1 -2.4 9.0 66 66 A L T 3< S+ 0 0 24 -4,-3.0 17,-2.7 -5,-0.2 -1,-0.2 0.644 116.9 36.9 -67.3 -11.6 16.5 -0.3 5.8 67 67 A T T <4 S+ 0 0 29 -3,-0.7 -2,-0.2 15,-0.3 -1,-0.2 0.742 137.1 16.0-103.1 -37.2 15.5 2.8 8.0 68 68 A N >X + 0 0 100 -4,-2.8 4,-1.4 1,-0.1 3,-1.0 -0.667 67.0 173.6-131.5 82.6 18.1 2.3 11.0 69 69 A P H 3> S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.902 84.0 50.4 -52.8 -44.8 20.9 -0.3 9.7 70 70 A K H 34 S+ 0 0 144 1,-0.2 5,-0.1 2,-0.2 -5,-0.1 0.608 104.3 59.1 -70.5 -15.9 22.9 0.3 13.0 71 71 A A H <4 S+ 0 0 71 -3,-1.0 3,-0.3 -7,-0.2 -1,-0.2 0.892 117.4 29.9 -74.1 -44.0 19.8 -0.4 15.2 72 72 A V H < S+ 0 0 47 -4,-1.4 2,-0.7 1,-0.3 -2,-0.2 0.927 135.8 29.5 -79.8 -50.9 19.2 -4.0 13.8 73 73 A V S >< S- 0 0 2 -4,-2.6 3,-1.2 -5,-0.2 2,-0.5 -0.822 86.9-151.8-108.2 91.4 23.0 -4.8 13.0 74 74 A K T 3 S+ 0 0 166 -2,-0.7 -4,-0.1 -3,-0.3 -3,-0.1 -0.475 82.4 15.0 -70.0 109.5 24.9 -2.7 15.7 75 75 A G T 3 S+ 0 0 47 -2,-0.5 -1,-0.3 1,-0.2 2,-0.2 0.812 86.2 170.9 85.9 40.8 28.3 -1.9 14.1 76 76 A T < - 0 0 12 -3,-1.2 -1,-0.2 2,-0.1 -6,-0.1 -0.531 40.9-135.4 -71.8 142.7 27.6 -2.8 10.3 77 77 A K S S+ 0 0 162 -2,-0.2 2,-0.9 2,-0.1 -1,-0.1 0.368 75.6 113.8 -72.4 7.5 30.1 -1.9 7.5 78 78 A M - 0 0 44 1,-0.1 2,-1.9 2,-0.1 -2,-0.1 -0.713 59.9-154.7 -80.6 105.0 26.9 -0.6 5.5 79 79 A A + 0 0 116 -2,-0.9 2,-0.4 -10,-0.1 -1,-0.1 -0.461 48.9 125.9 -79.7 71.4 27.5 3.2 5.3 80 80 A F - 0 0 60 -2,-1.9 -2,-0.1 1,-0.1 -66,-0.0 -0.995 49.7-157.4-136.9 129.4 23.8 4.1 4.9 81 81 A A - 0 0 100 -2,-0.4 2,-0.1 1,-0.2 -1,-0.1 0.800 54.1 -92.4 -76.7 -32.5 21.6 6.6 7.0 82 82 A G - 0 0 29 -14,-0.1 -15,-0.3 -13,-0.0 -1,-0.2 -0.273 23.9 -92.2 131.1 146.3 18.0 5.1 6.3 83 83 A L - 0 0 4 -17,-2.7 6,-0.1 1,-0.1 -73,-0.0 -0.714 32.6-150.9 -83.0 137.2 14.8 5.2 4.1 84 84 A P + 0 0 86 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.968 68.3 52.0 -81.9 -53.4 12.0 7.6 5.5 85 85 A K S > S- 0 0 120 1,-0.1 4,-1.2 -18,-0.0 3,-0.5 -0.544 73.6-130.3 -85.8 148.1 8.5 6.2 4.5 86 86 A I H > S+ 0 0 68 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.880 112.8 59.5 -58.5 -35.2 7.2 2.6 5.0 87 87 A E H > S+ 0 0 88 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.827 98.1 59.2 -57.2 -36.8 6.3 2.8 1.2 88 88 A D H > S+ 0 0 40 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.974 114.4 33.4 -61.8 -55.8 10.0 3.4 0.3 89 89 A R H X S+ 0 0 20 -4,-1.2 4,-2.9 2,-0.2 5,-0.2 0.923 119.9 51.6 -65.3 -45.0 11.3 0.0 1.9 90 90 A A H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.909 111.9 46.7 -57.4 -44.0 8.0 -2.0 1.0 91 91 A N H X S+ 0 0 16 -4,-2.4 4,-1.9 2,-0.2 -84,-0.4 0.913 115.0 46.8 -62.3 -44.5 8.2 -0.9 -2.7 92 92 A L H X S+ 0 0 6 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.920 111.1 51.3 -60.5 -46.5 12.1 -1.8 -2.8 93 93 A I H X S+ 0 0 5 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.933 110.5 50.0 -56.1 -46.4 11.3 -5.2 -1.0 94 94 A A H X S+ 0 0 21 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.880 111.6 50.2 -55.1 -42.3 8.6 -5.9 -3.8 95 95 A Y H >X S+ 0 0 16 -4,-1.9 4,-3.3 -92,-0.2 3,-0.6 0.989 111.9 43.4 -57.1 -65.9 11.3 -5.0 -6.5 96 96 A L H 3< S+ 0 0 3 -4,-2.4 -64,-0.8 1,-0.2 -63,-0.3 0.463 102.8 66.2 -80.4 5.9 14.2 -7.3 -5.3 97 97 A E H 3< S+ 0 0 103 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.918 122.5 19.2 -63.2 -55.7 11.9 -10.3 -4.7 98 98 A G H << S+ 0 0 65 -4,-1.0 2,-0.9 -3,-0.6 -2,-0.2 0.876 118.1 65.6 -81.8 -43.9 11.3 -10.3 -8.5 99 99 A Q < 0 0 117 -4,-3.3 -67,-0.3 1,-0.2 -1,-0.1 -0.747 360.0 360.0 -87.9 101.4 14.4 -8.3 -9.9 100 100 A Q 0 0 142 -2,-0.9 -1,-0.2 -69,-0.2 -69,-0.1 0.537 360.0 360.0-145.8 360.0 17.4 -10.6 -9.1