==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 25-JAN-05 1YNR . COMPND 2 MOLECULE: CYTOCHROME C-552; . SOURCE 2 ORGANISM_SCIENTIFIC: HYDROGENOBACTER THERMOPHILUS; . AUTHOR C.TRAVAGLINI-ALLOCATELLI,S.GIANNI,V.K.DUBEY,A.BORGIA,A.DI MA . 318 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 65.1 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 . 8 2.5 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 . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 2 4 0 0 4 4 0 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 . 4 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 N > 0 0 81 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-179.1 44.3 29.5 82.9 2 2 A E H > + 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.900 360.0 50.6 -67.4 -39.9 45.0 33.3 82.7 3 3 A Q H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 110.7 50.6 -66.8 -34.6 41.7 34.4 84.4 4 4 A L H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 6,-0.2 0.929 110.1 49.7 -65.1 -47.9 42.4 32.0 87.3 5 5 A A H X>S+ 0 0 1 -4,-2.2 5,-2.0 2,-0.2 4,-0.6 0.921 113.3 46.4 -56.1 -45.6 45.9 33.4 87.7 6 6 A K H ><5S+ 0 0 22 -4,-2.4 3,-0.9 3,-0.2 164,-0.2 0.926 112.3 50.6 -62.4 -46.1 44.6 37.0 87.7 7 7 A Q H 3<5S+ 0 0 54 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.885 107.9 52.0 -59.3 -43.4 41.8 36.1 90.2 8 8 A K H 3<5S- 0 0 25 -4,-2.4 -1,-0.2 -5,-0.2 55,-0.2 0.586 119.2-110.9 -71.1 -12.4 44.2 34.4 92.6 9 9 A G T X<5S+ 0 0 11 -3,-0.9 3,-1.8 -4,-0.6 4,-0.4 0.522 75.3 136.3 92.5 10.4 46.4 37.6 92.5 10 10 A C G >>< + 0 0 24 -5,-2.0 4,-1.5 1,-0.3 3,-1.5 0.848 66.1 62.5 -57.8 -37.3 49.3 36.0 90.7 11 11 A M G 34 S+ 0 0 8 -6,-0.5 -1,-0.3 1,-0.3 -5,-0.1 0.525 81.4 80.2 -69.0 -4.3 49.7 39.1 88.4 12 12 A A G <4 S+ 0 0 35 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.863 117.2 13.9 -62.4 -31.9 50.5 41.3 91.4 13 13 A C T <4 S+ 0 0 48 -3,-1.5 9,-2.7 -4,-0.4 8,-0.7 0.538 124.8 58.8-120.4 -16.5 54.0 39.8 91.0 14 14 A H < - 0 0 28 -4,-1.5 2,-0.3 7,-0.2 10,-0.1 -0.947 50.6-174.5-124.4 144.8 54.1 38.1 87.6 15 15 A D - 0 0 53 3,-0.7 10,-2.5 -2,-0.4 11,-0.3 -0.884 37.1-115.1-125.4 159.2 53.6 39.3 84.0 16 16 A L S S- 0 0 60 -2,-0.3 10,-2.2 8,-0.2 11,-0.2 0.860 108.8 -1.0 -56.3 -40.8 53.6 37.2 80.8 17 17 A K S S+ 0 0 122 8,-0.1 7,-0.2 9,-0.1 2,-0.1 0.674 113.8 83.3-126.1 -36.4 56.7 38.8 79.5 18 18 A A S S- 0 0 29 5,-0.1 2,-0.8 1,-0.1 -3,-0.7 -0.429 74.8-122.1 -76.4 150.4 58.0 41.5 81.9 19 19 A K + 0 0 119 -2,-0.1 -5,-0.1 -5,-0.1 -1,-0.1 -0.837 47.6 155.0 -92.1 104.9 60.2 40.8 85.0 20 20 A K S S- 0 0 28 2,-1.3 -6,-0.1 -2,-0.8 230,-0.1 0.378 71.5 -44.7 -98.5-122.3 58.2 42.1 87.9 21 21 A V S S+ 0 0 38 -8,-0.7 -7,-0.2 228,-0.2 36,-0.1 0.939 133.0 32.1 -77.8 -47.5 58.7 40.7 91.5 22 22 A G S S- 0 0 13 -9,-2.7 -2,-1.3 1,-0.2 -7,-0.3 -0.508 107.1 -73.2 -99.8 172.1 58.7 37.1 90.2 23 23 A P - 0 0 23 0, 0.0 -1,-0.2 0, 0.0 -8,-0.1 -0.229 56.2 -95.1 -60.8 150.2 59.9 35.7 86.8 24 24 A A > - 0 0 0 -7,-0.2 4,-1.9 -10,-0.1 3,-0.4 -0.380 30.9-123.9 -59.9 143.7 57.9 36.3 83.6 25 25 A Y H > S+ 0 0 4 -10,-2.5 4,-2.5 1,-0.2 -9,-0.2 0.910 113.4 55.3 -55.5 -43.0 55.5 33.4 82.9 26 26 A A H > S+ 0 0 0 -10,-2.2 4,-2.1 -11,-0.3 -1,-0.2 0.855 105.8 52.1 -57.8 -35.4 57.1 33.0 79.5 27 27 A D H > S+ 0 0 41 -3,-0.4 4,-2.4 -11,-0.2 -1,-0.2 0.875 108.5 49.4 -71.8 -36.1 60.5 32.7 81.2 28 28 A V H X S+ 0 0 14 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.913 110.3 52.4 -60.8 -45.2 59.2 29.9 83.5 29 29 A A H X S+ 0 0 6 -4,-2.5 4,-0.7 47,-0.2 -2,-0.2 0.921 112.1 45.4 -58.6 -45.5 57.7 28.1 80.4 30 30 A K H >< S+ 0 0 139 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.918 110.5 53.1 -63.9 -47.2 61.1 28.3 78.6 31 31 A K H 3< S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.907 119.6 33.1 -55.7 -43.9 63.1 27.1 81.7 32 32 A Y H >< S+ 0 0 21 -4,-2.1 3,-2.1 -5,-0.1 -1,-0.2 0.362 82.4 139.7-101.1 5.6 61.0 24.0 82.2 33 33 A A T << S+ 0 0 73 -4,-0.7 3,-0.1 -3,-0.7 -3,-0.1 -0.260 77.2 7.4 -52.5 125.8 60.1 23.2 78.6 34 34 A G T 3 S+ 0 0 87 1,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.348 87.7 138.6 87.4 -6.7 60.3 19.4 78.0 35 35 A R X - 0 0 161 -3,-2.1 3,-1.7 1,-0.2 4,-0.3 -0.640 51.2-141.3 -78.1 125.7 60.8 18.4 81.6 36 36 A K T 3 S+ 0 0 212 -2,-0.4 3,-0.4 1,-0.3 -1,-0.2 0.869 98.8 39.2 -54.0 -43.9 58.7 15.3 82.3 37 37 A D T 3> S+ 0 0 87 1,-0.2 4,-2.8 2,-0.1 -1,-0.3 0.153 78.9 116.6 -99.7 21.5 57.7 16.4 85.8 38 38 A A H <> S+ 0 0 7 -3,-1.7 4,-2.9 1,-0.2 5,-0.3 0.881 75.1 50.0 -57.8 -42.7 57.3 20.2 85.1 39 39 A V H > S+ 0 0 37 -3,-0.4 4,-2.9 -4,-0.3 -1,-0.2 0.968 115.7 40.9 -63.9 -50.4 53.5 20.3 86.0 40 40 A D H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.918 116.7 51.0 -65.5 -42.4 53.9 18.5 89.3 41 41 A Y H X S+ 0 0 71 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.932 115.3 40.4 -56.8 -51.9 57.0 20.5 90.1 42 42 A L H X S+ 0 0 12 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.871 109.3 59.5 -71.6 -36.9 55.5 23.9 89.4 43 43 A A H X S+ 0 0 4 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.916 108.3 46.2 -52.0 -45.6 52.2 22.9 91.0 44 44 A G H X S+ 0 0 24 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.921 112.7 49.8 -66.0 -43.0 54.1 22.4 94.3 45 45 A K H X S+ 0 0 84 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.880 110.9 49.8 -61.3 -39.0 56.0 25.7 93.8 46 46 A I H < S+ 0 0 22 -4,-3.0 16,-0.5 2,-0.2 -2,-0.2 0.931 117.2 41.0 -66.0 -45.3 52.7 27.5 93.2 47 47 A K H < S+ 0 0 23 -4,-2.4 15,-1.7 -5,-0.2 -2,-0.2 0.916 130.4 25.0 -63.1 -49.1 51.2 25.9 96.4 48 48 A K H < S- 0 0 109 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.636 92.2-147.7 -98.1 -18.7 54.2 26.3 98.7 49 49 A G < - 0 0 6 -4,-2.2 2,-0.3 -5,-0.3 -1,-0.3 -0.378 20.2-171.1 69.4-158.5 56.2 29.1 97.2 50 50 A G B -A 59 0A 36 9,-1.5 9,-3.1 -2,-0.1 2,-0.3 -0.934 13.0-120.1 155.1 179.1 60.0 29.1 97.5 51 51 A S + 0 0 70 -2,-0.3 5,-0.2 7,-0.2 6,-0.1 -0.947 69.4 38.7-147.0 158.3 63.3 30.9 97.0 52 52 A G S S+ 0 0 62 3,-1.7 4,-0.1 -2,-0.3 -1,-0.0 0.313 81.2 94.5 89.1 -9.3 66.6 30.9 95.2 53 53 A V S S+ 0 0 63 2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.904 109.9 5.7 -79.4 -42.4 65.6 29.6 91.7 54 54 A W S S- 0 0 114 1,-0.3 2,-0.3 3,-0.2 -1,-0.1 0.600 135.1 -29.6-115.0 -20.8 65.2 33.1 90.1 55 55 A G - 0 0 23 2,-0.1 -3,-1.7 -32,-0.0 -1,-0.3 -0.948 67.9 -82.8-177.8-171.4 66.4 35.3 92.9 56 56 A S S S+ 0 0 86 -2,-0.3 249,-0.0 -5,-0.2 -1,-0.0 0.580 92.4 95.7 -95.9 -9.7 66.7 35.8 96.6 57 57 A V S S- 0 0 40 -36,-0.1 2,-0.2 -6,-0.1 -5,-0.2 -0.674 75.1-129.3 -82.8 123.8 63.2 37.1 97.3 58 58 A P - 0 0 84 0, 0.0 -7,-0.2 0, 0.0 -2,-0.1 -0.556 7.3-130.7 -77.0 142.8 60.8 34.3 98.4 59 59 A M B -A 50 0A 64 -9,-3.1 -9,-1.5 -2,-0.2 3,-0.1 -0.746 31.0-124.5 -78.6 130.3 57.5 33.7 96.7 60 60 A P - 0 0 78 0, 0.0 -11,-0.1 0, 0.0 -1,-0.0 -0.307 31.7 -92.5 -68.1 159.6 54.9 33.3 99.5 61 61 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -13,-0.2 -0.383 49.7-125.0 -68.7 159.3 52.7 30.2 99.6 62 62 A Q - 0 0 41 -15,-1.7 2,-2.1 -16,-0.5 7,-0.1 -0.816 9.7-119.6-121.2 147.5 49.4 30.5 97.7 63 63 A N S S+ 0 0 27 -2,-0.3 2,-0.3 -55,-0.2 30,-0.2 -0.451 71.2 122.4 -78.7 69.9 45.7 30.1 98.5 64 64 A V - 0 0 2 -2,-2.1 2,-0.1 28,-0.4 -2,-0.1 -0.951 57.9-127.1-133.5 149.8 45.1 27.4 95.9 65 65 A T > - 0 0 17 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.414 38.7-103.2 -79.6 169.1 43.9 23.8 95.8 66 66 A D H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.921 124.2 51.6 -59.3 -44.9 45.9 21.0 94.3 67 67 A A H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 110.9 47.2 -59.2 -42.9 43.6 21.1 91.2 68 68 A E H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 110.6 51.5 -66.3 -42.2 44.1 24.9 90.8 69 69 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.871 110.4 50.0 -62.0 -39.0 47.8 24.6 91.2 70 70 A K H X S+ 0 0 95 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.926 110.7 49.1 -64.8 -46.1 47.9 22.0 88.5 71 71 A Q H X S+ 0 0 78 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.894 112.6 47.7 -61.4 -40.6 45.8 24.1 86.1 72 72 A L H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.915 111.9 50.0 -69.2 -39.2 48.0 27.2 86.7 73 73 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.932 111.7 47.9 -60.8 -49.9 51.2 25.1 86.1 74 74 A Q H X S+ 0 0 101 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.899 113.1 48.9 -59.8 -41.5 49.7 23.7 82.9 75 75 A W H >< S+ 0 0 38 -4,-2.3 3,-0.7 -5,-0.2 4,-0.5 0.942 111.3 48.9 -61.7 -51.1 48.7 27.2 81.7 76 76 A I H >< S+ 0 0 17 -4,-2.7 3,-1.7 1,-0.2 -47,-0.2 0.924 108.7 52.6 -55.7 -47.9 52.2 28.7 82.5 77 77 A L H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.703 102.8 61.6 -64.0 -18.8 54.0 25.9 80.7 78 78 A S T << S+ 0 0 74 -4,-0.8 2,-0.4 -3,-0.7 -1,-0.3 0.615 79.4 110.2 -79.9 -13.1 51.8 26.6 77.6 79 79 A I < 0 0 21 -3,-1.7 -49,-0.1 -4,-0.5 -50,-0.1 -0.517 360.0 360.0 -75.6 118.2 53.1 30.2 77.3 80 80 A K 0 0 199 -2,-0.4 -54,-0.1 -51,-0.1 -53,-0.1 -0.515 360.0 360.0 -79.5 360.0 55.3 30.9 74.2 81 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 82 1 B N > 0 0 80 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-179.3 33.9 22.8 103.6 83 2 B E H > + 0 0 70 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.900 360.0 55.6 -65.0 -43.5 36.9 23.1 101.2 84 3 B Q H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.918 110.0 48.0 -51.7 -44.8 35.2 25.9 99.2 85 4 B L H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 6,-0.2 0.872 109.3 52.1 -63.8 -43.1 34.8 27.8 102.5 86 5 B A H <>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 6,-0.5 0.935 113.6 44.8 -56.1 -47.0 38.5 27.2 103.5 87 6 B K H ><5S+ 0 0 35 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.936 111.1 52.8 -63.0 -47.7 39.5 28.6 100.1 88 7 B Q H 3<5S+ 0 0 54 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.846 111.7 46.9 -58.1 -35.5 37.1 31.5 100.4 89 8 B K T 3<5S- 0 0 13 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.348 116.4-110.9 -91.0 6.0 38.6 32.5 103.8 90 9 B G T X 5S+ 0 0 18 -3,-1.5 3,-1.5 -4,-0.3 4,-0.4 0.564 74.8 134.4 83.8 6.1 42.3 32.2 102.7 91 10 B C G >>< + 0 0 15 -5,-2.3 4,-1.5 1,-0.3 3,-1.2 0.814 62.6 64.6 -63.4 -31.3 43.1 29.1 104.7 92 11 B M G 34 S+ 0 0 6 -6,-0.5 -28,-0.4 1,-0.3 -1,-0.3 0.650 83.5 76.2 -71.3 -17.4 44.9 27.4 101.9 93 12 B A G <4 S+ 0 0 28 -3,-1.5 -1,-0.3 -30,-0.2 -2,-0.2 0.911 116.9 17.8 -55.5 -37.2 47.6 30.1 101.8 94 13 B C T <4 S+ 0 0 49 -3,-1.2 9,-2.1 -4,-0.4 8,-2.1 0.615 125.1 56.5-111.4 -12.8 49.0 28.4 104.9 95 14 B H < - 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