==== 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 1I6E . 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) . 5907.0 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 . 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 . 13 13.0 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 . 32 32.0 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 0 152 0, 0.0 2,-0.4 0, 0.0 90,-0.3 0.000 360.0 360.0 360.0 121.1 1.7 0.7 0.3 2 2 A A + 0 0 73 88,-0.1 89,-0.2 89,-0.1 86,-0.1 -0.638 360.0 155.1-119.5 73.6 5.1 -0.4 -1.1 3 3 A D > - 0 0 84 -2,-0.4 4,-1.8 84,-0.2 92,-0.3 -0.880 32.4-157.7-102.0 119.7 4.6 -0.7 -5.0 4 4 A P H > S+ 0 0 64 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.810 92.5 57.1 -68.7 -28.8 7.8 -0.3 -7.3 5 5 A A H >> S+ 0 0 78 2,-0.2 4,-0.9 1,-0.2 3,-0.5 0.959 111.1 42.5 -63.4 -50.3 5.7 0.7 -10.5 6 6 A A H 3> S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.844 108.8 61.9 -60.0 -33.5 4.1 3.7 -8.6 7 7 A G H 3X S+ 0 0 0 -4,-1.8 4,-2.5 84,-0.4 -2,-0.2 0.810 96.3 59.3 -58.5 -31.6 7.6 4.4 -7.2 8 8 A E H < S+ 0 0 4 -4,-1.8 3,-1.4 1,-0.2 4,-0.5 0.905 103.9 60.3 -62.9 -41.6 7.4 9.3 -7.7 11 11 A F H >X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 3,-1.1 0.770 86.3 76.6 -58.3 -24.8 11.1 9.0 -8.9 12 12 A G T 3< S+ 0 0 41 -4,-0.8 4,-0.5 -3,-0.4 -1,-0.2 0.804 88.3 58.7 -52.2 -29.7 10.2 11.6 -11.8 13 13 A K T <4 S+ 0 0 114 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.808 113.2 38.7 -59.5 -35.8 10.4 14.3 -9.0 14 14 A C T X> S+ 0 0 22 -3,-1.1 4,-2.7 -4,-0.5 3,-1.4 0.785 95.1 85.8 -81.8 -33.6 14.1 13.1 -8.5 15 15 A K T 3< S+ 0 0 115 -4,-2.1 -2,-0.1 1,-0.2 -3,-0.1 0.721 80.7 59.3 -46.7 -41.8 15.1 12.5 -12.3 16 16 A A T 34 S+ 0 0 95 -4,-0.5 10,-0.3 1,-0.1 -1,-0.2 0.838 123.8 22.5 -58.4 -36.0 16.2 16.2 -13.1 17 17 A C T <4 S+ 0 0 58 -3,-1.4 10,-1.7 1,-0.2 9,-1.0 0.820 127.0 43.7 -91.8 -43.8 18.9 16.1 -10.3 18 18 A H B < -A 24 0A 22 -4,-2.7 2,-0.5 8,-0.2 -1,-0.2 -0.914 56.0-169.3-114.0 132.7 19.6 12.3 -9.8 19 19 A K - 0 0 126 4,-0.9 12,-0.3 -2,-0.4 4,-0.1 -0.972 14.3-150.1-117.6 122.7 20.0 9.4 -12.5 20 20 A L S S+ 0 0 9 -2,-0.5 2,-1.7 9,-0.2 11,-1.4 0.885 78.4 72.3 -47.2 -51.8 20.0 5.8 -11.1 21 21 A D S S- 0 0 100 1,-0.2 -1,-0.2 9,-0.1 2,-0.2 -0.473 123.9 -68.0 -92.1 76.8 22.3 4.0 -13.7 22 22 A G S S+ 0 0 40 -2,-1.7 2,-0.6 1,-0.1 7,-0.2 0.135 98.4 121.1 72.9 -21.7 25.9 5.2 -12.9 23 23 A N - 0 0 109 -2,-0.2 -4,-0.9 5,-0.1 2,-0.5 -0.671 45.5-160.8 -91.4 116.6 25.3 8.9 -14.1 24 24 A D B +A 18 0A 67 -2,-0.6 -6,-0.1 -6,-0.1 -4,-0.0 -0.826 24.3 152.7 -97.4 121.8 25.9 11.7 -11.4 25 25 A G S S- 0 0 54 2,-1.8 -7,-0.2 -8,-0.6 -8,-0.1 0.478 74.6 -26.4-112.1-109.9 24.2 15.2 -12.2 26 26 A V S S+ 0 0 114 -9,-1.0 -8,-0.2 -10,-0.3 -9,-0.1 0.906 141.8 27.4 -75.2 -47.8 23.1 17.8 -9.6 27 27 A G S S- 0 0 10 -10,-1.7 -2,-1.8 -13,-0.2 -8,-0.3 -0.649 103.9 -88.2 -97.9 170.8 22.7 14.9 -7.1 28 28 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.158 53.5 -79.5 -69.1 169.0 24.7 11.5 -7.0 29 29 A H - 0 0 37 -7,-0.2 -9,-0.2 -11,-0.1 -5,-0.1 -0.546 39.4-154.7 -70.1 123.6 23.6 8.2 -8.9 30 30 A L > + 0 0 23 -2,-0.3 3,-1.3 -7,-0.2 -10,-0.2 0.337 43.0 134.9 -92.0 11.5 20.8 6.5 -6.8 31 31 A N T 3 S- 0 0 44 -11,-1.4 69,-0.2 -12,-0.3 65,-0.1 -0.362 85.7 -0.9 -57.5 122.7 21.2 2.7 -7.9 32 32 A G T 3 S+ 0 0 21 67,-2.6 -1,-0.2 64,-0.5 68,-0.2 0.839 79.7 148.4 57.8 43.7 21.1 0.6 -4.6 33 33 A V X + 0 0 5 -3,-1.3 3,-1.9 66,-0.3 2,-0.7 0.729 43.4 97.4 -71.7 -23.1 20.7 3.5 -2.0 34 34 A V T 3 S+ 0 0 28 62,-0.4 24,-0.2 1,-0.3 59,-0.0 -0.565 106.1 5.3 -73.8 107.4 18.6 1.3 0.4 35 35 A G T 3 S+ 0 0 46 22,-2.7 -1,-0.3 -2,-0.7 2,-0.2 0.354 102.0 137.8 91.3 -3.8 21.4 0.2 2.9 36 36 A R < - 0 0 44 -3,-1.9 21,-3.1 21,-0.4 -1,-0.3 -0.534 60.4 -98.1 -84.8 143.1 24.1 2.4 1.3 37 37 A T B > -B 56 0B 81 19,-0.3 3,-1.1 -2,-0.2 19,-0.3 -0.194 39.9-103.8 -60.7 137.9 26.7 4.5 3.4 38 38 A V T 3 S+ 0 0 10 17,-2.1 16,-0.2 1,-0.3 -1,-0.1 -0.492 111.7 10.0 -67.1 123.1 25.9 8.3 4.0 39 39 A A T 3 S+ 0 0 30 -2,-0.3 -1,-0.3 -3,-0.1 7,-0.1 0.904 93.7 142.4 62.9 50.0 28.3 10.2 1.6 40 40 A G < + 0 0 42 -3,-1.1 2,-1.1 1,-0.1 -2,-0.1 0.627 28.3 95.5 -99.6 -16.5 29.3 6.8 -0.2 41 41 A V > - 0 0 18 -4,-0.1 3,-1.1 3,-0.1 2,-0.6 -0.664 62.7-152.4 -81.5 97.7 29.7 7.6 -4.0 42 42 A D T 3 S+ 0 0 174 -2,-1.1 3,-0.1 1,-0.2 -2,-0.1 -0.589 87.4 45.5 -71.2 109.0 33.5 8.2 -4.4 43 43 A G T 3 S+ 0 0 79 -2,-0.6 2,-0.5 1,-0.3 -1,-0.2 -0.289 96.9 77.3 137.4 -57.1 33.4 10.5 -7.5 44 44 A F S < S- 0 0 34 -3,-1.1 2,-0.5 -15,-0.1 -1,-0.3 -0.799 77.8-138.4 -82.4 123.4 30.6 12.9 -6.3 45 45 A N - 0 0 116 -2,-0.5 2,-0.1 -3,-0.1 -3,-0.1 -0.725 24.9-156.9 -80.1 124.9 31.8 15.5 -3.7 46 46 A Y - 0 0 31 -2,-0.5 2,-0.1 1,-0.1 30,-0.0 -0.358 23.3 -83.3 -94.6 173.5 29.1 15.8 -0.9 47 47 A S > - 0 0 29 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.434 39.9-112.5 -71.6 154.4 28.3 18.7 1.7 48 48 A D H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 118.2 45.0 -59.5 -49.7 30.4 18.9 5.1 49 49 A P H > S+ 0 0 49 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.773 113.0 53.6 -63.3 -24.4 27.3 18.0 7.4 50 50 A M H >> S+ 0 0 11 25,-0.3 4,-0.7 2,-0.2 3,-0.6 0.941 112.2 43.1 -66.9 -49.3 26.5 15.1 4.9 51 51 A K H 3< S+ 0 0 101 -4,-2.7 3,-0.2 1,-0.2 -3,-0.2 0.899 116.6 48.3 -59.2 -43.1 30.1 13.8 5.2 52 52 A A H 3< S+ 0 0 88 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.589 96.5 75.6 -71.2 -12.4 30.1 14.3 9.1 53 53 A H H << S+ 0 0 95 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.1 0.964 76.3 179.9 -65.2 -55.6 26.6 12.5 9.5 54 54 A G < + 0 0 36 -4,-0.7 2,-0.1 -16,-0.2 -15,-0.1 -0.038 29.1 74.7 79.6 177.6 27.8 8.8 9.1 55 55 A G S S- 0 0 52 -17,-0.1 -17,-2.1 -18,-0.1 2,-0.3 -0.410 81.0 -58.8 76.1-154.2 26.0 5.4 9.1 56 56 A D B -B 37 0B 82 -19,-0.3 2,-2.0 -2,-0.1 -19,-0.3 -0.940 40.6-104.2-130.7 154.4 23.8 3.9 6.2 57 57 A W + 0 0 23 -21,-3.1 -22,-2.7 -2,-0.3 -21,-0.4 -0.436 51.0 174.7 -76.6 73.3 20.6 4.9 4.3 58 58 A T > - 0 0 68 -2,-2.0 4,-2.9 -24,-0.2 5,-0.3 -0.316 48.1 -97.8 -70.1 159.6 18.2 2.4 6.0 59 59 A P H > S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.856 127.2 45.4 -57.1 -34.7 14.3 2.6 5.1 60 60 A E H > S+ 0 0 125 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.919 113.1 49.8 -67.8 -45.6 13.5 4.7 8.3 61 61 A A H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 113.9 46.2 -57.6 -43.9 16.6 7.1 7.6 62 62 A L H X S+ 0 0 9 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.929 111.9 51.5 -60.0 -47.4 15.3 7.5 3.9 63 63 A Q H X S+ 0 0 36 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.910 113.8 44.4 -55.7 -44.5 11.7 8.1 5.2 64 64 A E H X S+ 0 0 108 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.971 118.3 42.6 -61.4 -55.6 13.0 10.9 7.7 65 65 A F H < S+ 0 0 11 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.877 115.8 48.2 -61.0 -41.4 15.3 12.5 5.0 66 66 A L H < S+ 0 0 21 -4,-2.9 17,-3.0 -5,-0.2 -1,-0.2 0.753 107.4 57.4 -73.1 -21.7 12.6 12.3 2.1 67 67 A T H < S- 0 0 50 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.942 139.3 -15.2 -63.8 -52.0 10.0 13.8 4.6 68 68 A N X - 0 0 76 -4,-1.9 4,-1.3 14,-0.1 -1,-0.2 -0.774 65.8-173.3-150.1 112.6 12.3 16.9 5.1 69 69 A P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 7,-0.1 0.941 84.7 46.3 -76.0 -47.4 16.1 16.8 3.9 70 70 A K H 4 S+ 0 0 105 10,-0.4 5,-0.3 8,-0.2 6,-0.1 0.755 112.4 52.3 -68.5 -26.5 17.5 20.2 5.2 71 71 A A H 4 S+ 0 0 70 -6,-0.1 3,-0.3 3,-0.1 -1,-0.2 0.882 115.9 40.7 -66.9 -41.5 15.8 19.7 8.7 72 72 A V H < S+ 0 0 61 -4,-1.3 2,-0.8 1,-0.3 -2,-0.2 0.974 128.1 29.8 -71.5 -58.9 17.4 16.1 9.0 73 73 A V S >< S- 0 0 3 -4,-2.7 3,-1.8 -8,-0.1 2,-0.9 -0.869 87.6-147.5-100.7 100.9 21.0 17.0 7.6 74 74 A K T 3 S+ 0 0 178 -2,-0.8 -3,-0.1 -3,-0.3 -4,-0.1 -0.537 86.7 21.2 -74.9 100.7 21.3 20.8 8.6 75 75 A G T 3 S+ 0 0 43 -2,-0.9 2,-0.3 1,-0.3 -1,-0.3 0.579 83.0 148.9 104.5 18.5 23.4 22.1 5.6 76 76 A T < - 0 0 11 -3,-1.8 -1,-0.3 -7,-0.1 -6,-0.0 -0.637 48.1-137.3 -71.8 137.5 22.8 19.5 2.8 77 77 A K + 0 0 126 -2,-0.3 2,-1.3 2,-0.1 -1,-0.1 0.376 68.4 119.9 -73.5 6.8 22.8 20.9 -0.8 78 78 A M - 0 0 42 1,-0.1 2,-2.0 2,-0.1 -8,-0.2 -0.592 51.1-161.6 -73.3 94.8 19.6 18.7 -1.7 79 79 A A + 0 0 95 -2,-1.3 2,-0.4 -10,-0.1 -1,-0.1 -0.444 43.9 126.1 -78.6 70.8 17.1 21.5 -2.7 80 80 A F - 0 0 64 -2,-2.0 -10,-0.4 1,-0.1 -2,-0.1 -0.997 52.6-148.7-130.5 130.4 13.9 19.4 -2.3 81 81 A A - 0 0 92 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.958 51.2 -96.0 -65.1 -55.0 10.9 20.4 -0.1 82 82 A G - 0 0 23 -14,-0.1 -15,-0.3 -13,-0.1 -1,-0.2 -0.615 11.0-105.9 148.0 155.1 9.6 16.9 1.1 83 83 A L - 0 0 9 -17,-3.0 6,-0.1 -2,-0.2 -15,-0.1 -0.878 31.1-179.1-104.0 98.1 7.2 13.9 0.6 84 84 A P + 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.857 59.1 77.7 -70.0 -33.3 4.5 14.2 3.5 85 85 A K S > S- 0 0 136 1,-0.1 4,-1.4 -18,-0.0 3,-0.1 -0.590 72.7-142.3 -79.0 133.1 2.5 10.9 2.6 86 86 A I H > S+ 0 0 104 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.886 98.1 61.6 -56.2 -44.6 3.9 7.4 3.6 87 87 A E H > S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.906 103.7 48.9 -53.9 -45.8 2.6 5.7 0.3 88 88 A D H > S+ 0 0 37 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.929 117.4 41.6 -57.2 -47.7 4.9 8.1 -1.9 89 89 A R H X S+ 0 0 26 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.945 118.5 45.1 -64.7 -51.0 8.0 7.3 0.3 90 90 A A H X S+ 0 0 19 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.905 114.3 48.2 -60.0 -45.4 7.2 3.5 0.7 91 91 A N H X S+ 0 0 9 -4,-2.8 4,-2.0 -90,-0.3 -84,-0.4 0.944 114.7 47.2 -56.9 -50.2 6.4 3.1 -3.1 92 92 A L H X S+ 0 0 3 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.914 110.3 51.2 -54.9 -48.7 9.7 5.0 -3.9 93 93 A I H X S+ 0 0 8 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.907 108.7 52.5 -59.8 -41.8 11.8 2.8 -1.4 94 94 A A H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.900 110.9 47.4 -55.2 -43.1 10.3 -0.4 -3.1 95 95 A Y H X S+ 0 0 57 -4,-2.0 4,-2.9 -92,-0.3 -2,-0.2 0.913 110.2 51.2 -62.4 -44.7 11.6 1.1 -6.5 96 96 A L H < S+ 0 0 7 -4,-2.6 -64,-0.5 2,-0.2 -62,-0.4 0.775 111.8 48.1 -64.1 -27.9 15.1 1.9 -5.0 97 97 A E H < S+ 0 0 104 -4,-1.9 3,-0.4 -5,-0.2 -2,-0.2 0.877 110.5 52.6 -68.2 -44.3 15.1 -1.8 -3.8 98 98 A G H < S+ 0 0 67 -4,-2.3 2,-1.2 1,-0.3 -2,-0.2 0.952 109.9 49.6 -54.0 -54.4 14.1 -2.9 -7.4 99 99 A Q < 0 0 55 -4,-2.9 -67,-2.6 -5,-0.1 -66,-0.3 -0.648 360.0 360.0 -84.1 81.5 17.0 -0.9 -8.9 100 100 A Q 0 0 152 -2,-1.2 -69,-0.1 -3,-0.4 -3,-0.1 -0.720 360.0 360.0 -90.6 360.0 19.9 -2.2 -6.7