==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING, TRANSPORT PROTEIN 09-JAN-09 2ZXY . COMPND 2 MOLECULE: CYTOCHROME C552; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.OBUCHI,K.KAWAHARA,D.MOTOOKA,S.NAKAMURA,M.YAMANAKA, . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 67.4 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 . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 1 0 0 2 1 0 0 0 1 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 . 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 0 105 0, 0.0 2,-0.7 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 151.7 26.8 21.2 19.6 2 2 A D > - 0 0 97 1,-0.2 4,-2.0 2,-0.0 5,-0.2 -0.872 360.0-175.1-113.6 92.0 28.1 24.7 18.7 3 3 A G H > S+ 0 0 7 -2,-0.7 4,-2.5 75,-0.2 5,-0.2 0.836 84.7 56.3 -59.6 -36.2 25.5 26.7 16.9 4 4 A K H > S+ 0 0 111 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 107.7 47.4 -62.0 -44.6 27.9 29.6 16.3 5 5 A A H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.885 112.0 50.0 -66.0 -38.3 30.4 27.4 14.6 6 6 A I H X S+ 0 0 19 -4,-2.0 4,-2.0 2,-0.2 6,-0.2 0.950 111.4 48.9 -63.3 -48.0 27.8 25.9 12.4 7 7 A F H <>S+ 0 0 18 -4,-2.5 5,-1.5 1,-0.2 6,-0.5 0.904 114.0 46.5 -55.5 -51.3 26.5 29.3 11.4 8 8 A Q H ><5S+ 0 0 116 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.931 114.9 45.2 -52.9 -48.9 30.0 30.5 10.6 9 9 A Q H 3<5S+ 0 0 156 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.694 107.0 55.6 -86.9 -19.4 31.0 27.5 8.6 10 10 A K T 3<5S- 0 0 72 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.480 112.0-118.3 -87.9 -2.0 27.8 27.1 6.5 11 11 A G T X 5 + 0 0 35 -3,-0.9 3,-1.4 -4,-0.4 4,-0.2 0.613 67.8 140.8 83.1 16.7 28.4 30.7 5.4 12 12 A C G >>< + 0 0 32 -5,-1.5 3,-1.4 1,-0.3 4,-0.7 0.732 58.3 69.3 -64.0 -33.3 25.1 32.1 6.8 13 13 A G G 34 S+ 0 0 33 -6,-0.5 -1,-0.3 1,-0.3 -5,-0.1 0.687 78.7 79.6 -64.8 -18.7 26.6 35.4 8.0 14 14 A S G <4 S+ 0 0 94 -3,-1.4 -1,-0.3 1,-0.2 9,-0.2 0.800 113.1 19.2 -57.9 -30.8 27.1 36.6 4.5 15 15 A C T <4 S+ 0 0 40 -3,-1.4 9,-2.0 -4,-0.2 7,-0.4 0.359 122.1 63.7-116.9 -4.8 23.4 37.5 4.3 16 16 A H < - 0 0 31 -4,-0.7 -1,-0.2 7,-0.1 2,-0.1 -0.783 58.7-179.9-132.1 91.3 22.6 37.7 8.1 17 17 A Q - 0 0 96 3,-0.7 10,-2.3 -2,-0.4 11,-0.3 -0.442 37.9-113.5 -83.6 157.6 24.3 40.3 10.2 18 18 A A S S+ 0 0 37 8,-0.2 10,-2.4 1,-0.2 11,-0.2 0.923 103.4 8.5 -58.6 -46.6 23.5 40.4 13.9 19 19 A N S S+ 0 0 111 8,-0.2 2,-0.4 7,-0.1 -1,-0.2 0.216 115.1 70.3-129.2 8.3 21.7 43.8 14.0 20 20 A V S S- 0 0 82 5,-0.1 -3,-0.7 0, 0.0 2,-0.4 -0.999 70.6-128.5-135.2 131.0 21.2 45.0 10.5 21 21 A D + 0 0 79 -2,-0.4 -5,-0.1 4,-0.1 2,-0.1 -0.634 46.1 145.7 -70.3 131.4 18.9 43.8 7.7 22 22 A T S S- 0 0 59 2,-2.8 -7,-0.1 -7,-0.4 -1,-0.1 -0.059 74.7 -21.3-130.4-119.1 20.9 43.2 4.5 23 23 A V S S+ 0 0 89 -9,-0.2 -7,-0.1 -2,-0.1 -8,-0.1 0.966 142.5 20.0 -60.4 -46.0 20.3 40.5 1.9 24 24 A G S S- 0 0 11 -9,-2.0 -2,-2.8 1,-0.1 -7,-0.3 -0.704 106.2 -78.1-113.2 171.4 18.5 38.7 4.6 25 25 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.249 55.3 -95.4 -64.7 153.4 16.9 39.9 7.9 26 26 A S > - 0 0 7 -10,-0.1 4,-2.2 1,-0.1 -8,-0.2 -0.248 28.5-116.8 -60.6 156.9 19.1 40.5 10.9 27 27 A L H > S+ 0 0 5 -10,-2.3 4,-3.0 1,-0.2 59,-0.2 0.871 117.4 58.1 -61.4 -36.6 19.6 37.8 13.4 28 28 A K H > S+ 0 0 101 -10,-2.4 4,-2.1 -11,-0.3 -1,-0.2 0.930 107.1 46.5 -58.1 -45.2 17.9 40.1 15.9 29 29 A K H > S+ 0 0 96 -11,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.907 114.5 46.5 -66.1 -42.9 14.8 40.3 13.7 30 30 A I H X S+ 0 0 18 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.927 111.2 52.5 -63.8 -43.7 14.7 36.6 13.2 31 31 A A H < S+ 0 0 7 -4,-3.0 -2,-0.2 52,-0.2 -1,-0.2 0.865 110.4 48.3 -60.7 -39.8 15.2 35.9 16.9 32 32 A Q H >< S+ 0 0 142 -4,-2.1 3,-1.2 -5,-0.2 -1,-0.2 0.925 110.3 50.9 -65.7 -44.4 12.3 38.2 17.8 33 33 A A H 3< S+ 0 0 35 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.847 116.1 41.6 -60.6 -37.3 10.0 36.5 15.2 34 34 A Y T >< S+ 0 0 5 -4,-2.1 3,-2.9 -5,-0.1 -1,-0.3 0.267 78.5 141.8-100.9 15.9 10.8 33.1 16.6 35 35 A A T < S+ 0 0 58 -3,-1.2 -3,-0.1 1,-0.3 -4,-0.0 -0.337 84.3 3.3 -60.1 121.5 10.7 34.0 20.3 36 36 A G T 3 S+ 0 0 89 -2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.557 115.2 93.5 75.3 11.0 9.1 31.0 22.0 37 37 A K <> + 0 0 96 -3,-2.9 4,-2.1 1,-0.1 3,-0.2 -0.227 35.4 137.3-126.3 41.3 9.0 29.2 18.7 38 38 A E H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 73.3 54.3 -56.9 -42.8 12.2 27.2 18.7 39 39 A D H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 109.1 48.0 -59.7 -42.4 10.5 24.1 17.4 40 40 A Q H > S+ 0 0 63 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.856 108.8 54.0 -66.9 -35.0 9.1 26.1 14.4 41 41 A L H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.936 109.0 48.8 -64.2 -41.8 12.6 27.6 13.7 42 42 A I H X S+ 0 0 25 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.937 111.1 50.3 -61.7 -43.9 14.0 24.1 13.6 43 43 A K H ><>S+ 0 0 99 -4,-2.3 5,-3.2 1,-0.2 3,-0.5 0.915 109.3 51.5 -58.3 -44.6 11.2 23.1 11.2 44 44 A F H ><5S+ 0 0 29 -4,-2.7 3,-1.9 4,-0.3 -1,-0.2 0.929 106.6 53.6 -57.0 -45.7 12.0 26.1 9.1 45 45 A L H 3<5S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.748 108.3 51.1 -64.4 -21.7 15.7 25.1 9.0 46 46 A K T <<5S- 0 0 64 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.441 121.4-106.5 -89.3 -4.6 14.6 21.6 7.7 47 47 A G T < 5S+ 0 0 50 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.615 92.6 114.6 84.4 23.1 12.4 23.1 5.0 48 48 A E < + 0 0 101 -5,-3.2 -4,-0.3 -6,-0.2 -5,-0.1 0.356 63.8 47.0-109.9 -10.1 9.4 22.1 7.0 49 49 A A S S- 0 0 16 -6,-0.5 -2,-0.1 -5,-0.2 2,-0.1 -0.980 82.9-103.0-139.4 153.5 7.8 25.4 7.8 50 50 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.370 42.1 -93.5 -76.4 156.9 7.0 28.6 5.9 51 51 A A + 0 0 17 1,-0.1 7,-0.1 4,-0.1 0, 0.0 -0.449 41.4 173.9 -62.0 131.9 8.9 31.9 6.0 52 52 A I S S+ 0 0 68 -2,-0.2 -1,-0.1 2,-0.1 6,-0.0 0.469 70.5 51.2-117.1 -7.9 7.4 34.2 8.6 53 53 A V S S+ 0 0 44 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.919 127.6 1.8 -96.3 -54.9 9.9 37.0 8.5 54 54 A D > + 0 0 60 1,-0.1 3,-2.1 -29,-0.0 -1,-0.1 -0.606 62.7 170.1-136.6 72.5 10.3 38.1 4.8 55 55 A P G > S+ 0 0 76 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.773 72.8 72.4 -58.8 -26.1 8.0 36.0 2.7 56 56 A A G 3 S+ 0 0 93 1,-0.3 3,-0.2 2,-0.1 -2,-0.0 0.785 109.2 32.7 -56.2 -29.7 8.7 38.2 -0.3 57 57 A K G X> S+ 0 0 108 -3,-2.1 4,-1.3 1,-0.1 3,-1.2 0.109 80.6 120.8-120.1 26.3 12.1 36.6 -0.5 58 58 A E H <> S+ 0 0 76 -3,-1.5 4,-2.0 1,-0.3 3,-0.2 0.859 73.4 55.5 -54.2 -41.5 11.3 33.1 0.7 59 59 A A H 34 S+ 0 0 78 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.704 102.8 56.3 -73.1 -20.4 12.5 31.5 -2.5 60 60 A I H <4 S+ 0 0 103 -3,-1.2 4,-0.3 1,-0.1 -1,-0.2 0.872 112.6 40.4 -73.4 -42.0 16.0 33.2 -2.2 61 61 A M H >X S+ 0 0 55 -4,-1.3 3,-1.3 -3,-0.2 4,-0.6 0.821 98.2 78.4 -75.2 -33.4 16.6 31.7 1.2 62 62 A K G >< S+ 0 0 134 -4,-2.0 3,-1.9 1,-0.3 4,-0.3 0.863 88.3 53.2 -50.7 -47.8 15.2 28.2 0.6 63 63 A P G >4 S+ 0 0 68 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.812 97.2 67.8 -63.2 -25.9 18.1 26.8 -1.4 64 64 A Q G X4 S+ 0 0 92 -3,-1.3 3,-1.3 -4,-0.3 4,-0.2 0.764 86.5 70.7 -60.6 -23.9 20.5 27.7 1.5 65 65 A L G X< S+ 0 0 8 -3,-1.9 3,-1.8 -4,-0.6 -1,-0.3 0.744 79.7 75.0 -65.7 -22.1 18.6 25.1 3.6 66 66 A T G X S+ 0 0 96 -3,-1.7 3,-1.3 -4,-0.3 -1,-0.2 0.816 85.6 64.7 -63.2 -26.4 20.2 22.3 1.5 67 67 A M G X S+ 0 0 84 -3,-1.3 3,-0.5 -4,-0.3 -1,-0.3 0.675 95.4 58.9 -58.9 -33.8 23.5 23.0 3.4 68 68 A L G X S+ 0 0 13 -3,-1.8 3,-1.6 -4,-0.2 -1,-0.3 0.348 72.8 99.1 -85.9 5.5 22.0 21.9 6.6 69 69 A K G < S+ 0 0 137 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.543 77.9 58.6 -78.9 -2.6 21.0 18.3 5.5 70 70 A G G < S+ 0 0 73 -3,-0.5 2,-0.3 -4,-0.1 -1,-0.3 0.375 88.0 100.7 -97.9 -0.2 24.1 16.8 7.1 71 71 A L < - 0 0 26 -3,-1.6 2,-0.1 1,-0.1 -3,-0.0 -0.692 69.1-128.9 -90.5 142.6 23.1 18.1 10.6 72 72 A S > - 0 0 57 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.327 33.3-104.2 -71.0 168.2 21.5 16.1 13.3 73 73 A D H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.886 124.7 54.2 -63.7 -34.0 18.4 17.4 15.0 74 74 A A H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 108.9 48.1 -65.6 -38.8 20.5 18.4 18.0 75 75 A E H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.906 110.1 51.3 -69.4 -38.7 22.8 20.4 15.7 76 76 A L H X S+ 0 0 5 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.902 109.8 51.1 -62.2 -40.0 19.9 22.1 14.1 77 77 A K H X S+ 0 0 96 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.913 108.4 51.0 -62.8 -42.1 18.6 23.0 17.6 78 78 A A H X S+ 0 0 17 -4,-2.1 4,-2.2 2,-0.2 -75,-0.2 0.906 110.8 48.8 -61.9 -42.2 22.0 24.4 18.5 79 79 A L H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.941 112.1 49.2 -61.6 -44.4 21.9 26.5 15.3 80 80 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.919 110.0 50.9 -60.0 -39.7 18.4 27.7 16.2 81 81 A D H X S+ 0 0 49 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.881 107.4 53.1 -77.0 -25.6 19.5 28.6 19.7 82 82 A F H < S+ 0 0 41 -4,-2.2 3,-0.3 2,-0.2 -1,-0.2 0.942 112.0 45.4 -66.8 -46.5 22.4 30.6 18.4 83 83 A I H >< S+ 0 0 13 -4,-2.3 3,-1.9 1,-0.2 -52,-0.2 0.969 112.1 51.8 -58.6 -49.5 20.0 32.6 16.2 84 84 A L H 3< S+ 0 0 40 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.730 94.3 72.4 -62.5 -23.1 17.6 33.0 19.0 85 85 A S T 3< 0 0 89 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.571 360.0 360.0 -69.6 -10.0 20.3 34.3 21.3 86 86 A H < 0 0 63 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.1 0.253 360.0 360.0 -90.5 360.0 20.3 37.6 19.3