==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 16-OCT-09 3K9Z . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR N.YEUNG,Y.-W.LIN,Y.-G.GAO,X.ZHAO,B.S.RUSSELL,L.LEI, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 81.0 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 0 1 1 0 0 0 0 0 1 0 1 1 0 0 1 1 0 0 0 0 1 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 V 0 0 163 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 130.1 12.0 31.1 -11.7 2 2 A L - 0 0 14 77,-0.1 2,-0.0 1,-0.1 128,-0.0 -0.668 360.0-114.0 -95.4 145.7 15.8 30.9 -11.9 3 3 A S > - 0 0 58 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.347 30.6-111.9 -69.1 159.7 17.9 31.6 -15.0 4 4 A E H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.851 121.7 54.3 -61.1 -34.0 19.7 28.7 -16.6 5 5 A G H > S+ 0 0 36 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.865 107.2 49.8 -63.6 -41.6 22.9 30.4 -15.4 6 6 A E H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.956 110.4 49.1 -66.7 -47.8 21.6 30.6 -11.9 7 7 A W H X S+ 0 0 17 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.907 108.2 55.1 -55.8 -38.9 20.7 27.0 -11.8 8 8 A Q H X S+ 0 0 114 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.914 109.0 47.0 -64.7 -35.4 24.2 26.1 -13.2 9 9 A L H X S+ 0 0 59 -4,-1.8 4,-2.5 -3,-0.2 5,-0.3 0.853 110.0 54.2 -69.8 -39.4 25.8 28.0 -10.3 10 10 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.978 114.2 39.2 -57.6 -54.0 23.6 26.3 -7.8 11 11 A L H X S+ 0 0 51 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.729 111.3 60.6 -75.9 -14.2 24.5 22.9 -8.9 12 12 A H H X S+ 0 0 81 -4,-1.3 4,-1.1 -5,-0.3 3,-0.4 0.963 110.9 38.6 -69.7 -52.6 28.1 23.9 -9.4 13 13 A V H X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 3,-0.5 0.891 113.0 57.0 -65.4 -37.4 28.5 24.8 -5.7 14 14 A W H X S+ 0 0 7 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.822 98.0 60.2 -64.2 -31.2 26.4 21.9 -4.6 15 15 A A H < S+ 0 0 59 -4,-1.2 4,-0.3 -3,-0.4 -1,-0.2 0.875 103.8 53.4 -62.1 -33.4 28.7 19.5 -6.4 16 16 A K H >< S+ 0 0 67 -4,-1.1 3,-1.3 -3,-0.5 -1,-0.2 0.884 105.5 53.5 -60.7 -43.3 31.3 20.9 -4.1 17 17 A V H >< S+ 0 0 1 -4,-1.5 3,-2.0 1,-0.3 7,-0.3 0.837 97.7 63.4 -59.7 -39.0 29.0 20.1 -1.2 18 18 A E T 3< S+ 0 0 84 -4,-1.7 3,-0.5 1,-0.3 -1,-0.3 0.536 83.0 78.5 -71.3 -9.8 28.7 16.4 -2.3 19 19 A A T < S+ 0 0 87 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.546 120.3 5.4 -72.7 -9.2 32.4 16.0 -1.7 20 20 A D <> + 0 0 65 -3,-2.0 4,-2.8 -4,-0.1 5,-0.3 -0.152 69.5 166.1-170.3 67.4 31.5 15.8 2.0 21 21 A V H > S+ 0 0 32 -3,-0.5 4,-3.0 1,-0.2 5,-0.2 0.907 82.6 50.4 -52.0 -49.3 27.7 15.8 2.6 22 22 A A H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.930 110.8 45.7 -59.1 -53.3 28.3 14.6 6.2 23 23 A G H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.938 115.8 47.3 -58.0 -43.8 30.8 17.3 7.2 24 24 A H H X S+ 0 0 2 -4,-2.8 4,-2.1 -7,-0.3 -1,-0.2 0.940 110.0 54.1 -63.3 -38.2 28.7 20.0 5.6 25 25 A G H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.3 -2,-0.2 0.919 108.7 49.1 -58.6 -45.5 25.6 18.6 7.3 26 26 A Q H X S+ 0 0 27 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.936 111.6 47.4 -58.7 -48.4 27.4 18.8 10.7 27 27 A D H X S+ 0 0 59 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.820 111.3 51.2 -71.8 -28.0 28.6 22.4 10.2 28 28 A I H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.909 111.9 46.3 -69.8 -48.4 25.1 23.6 9.0 29 29 A H H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.889 114.6 48.2 -61.2 -37.2 23.4 22.1 12.0 30 30 A I H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.960 112.9 47.0 -70.7 -47.4 26.0 23.5 14.3 31 31 A R H X S+ 0 0 84 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.916 115.1 48.0 -45.7 -63.1 25.7 27.0 12.7 32 32 A L H X S+ 0 0 6 -4,-2.8 4,-2.1 2,-0.2 7,-0.2 0.878 112.2 47.0 -48.3 -57.0 21.9 26.7 12.9 33 33 A F H < S+ 0 0 9 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.949 113.8 48.5 -55.5 -49.6 21.8 25.6 16.6 34 34 A K H < S+ 0 0 117 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.929 115.1 43.3 -61.9 -41.4 24.3 28.3 17.7 35 35 A S H < S+ 0 0 51 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.889 133.7 16.5 -72.9 -29.9 22.5 31.1 15.9 36 36 A H >X - 0 0 30 -4,-2.1 3,-2.6 -5,-0.2 4,-0.6 -0.682 63.1-176.8-146.0 78.5 19.0 30.0 16.9 37 37 A P H 3> S+ 0 0 72 0, 0.0 4,-1.0 0, 0.0 3,-0.1 0.703 80.4 73.6 -62.6 -18.4 18.9 27.5 19.9 38 38 A E H 3> S+ 0 0 85 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.839 91.6 61.8 -58.6 -29.8 15.1 27.2 19.6 39 39 A T H X> S+ 0 0 4 -3,-2.6 3,-1.5 1,-0.2 4,-0.9 0.938 94.9 57.0 -58.3 -51.0 16.0 25.2 16.5 40 40 A L H >< S+ 0 0 27 -4,-0.6 3,-0.5 1,-0.3 6,-0.3 0.814 97.3 66.2 -54.9 -28.9 17.9 22.6 18.5 41 41 A E H 3< S+ 0 0 83 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.828 95.6 52.9 -66.4 -32.4 14.7 22.0 20.5 42 42 A K H << S+ 0 0 78 -3,-1.5 2,-1.4 -4,-0.7 -1,-0.2 0.747 96.2 74.5 -70.4 -22.7 12.8 20.6 17.6 43 43 A H S XX S+ 0 0 36 -4,-0.9 3,-2.0 -3,-0.5 4,-1.1 -0.612 71.4 179.7 -91.5 74.6 15.7 18.2 17.2 44 44 A D T 34 S+ 0 0 118 -2,-1.4 -1,-0.2 1,-0.3 4,-0.1 0.645 73.6 43.6 -60.8 -30.1 14.7 16.1 20.2 45 45 A R T 34 S+ 0 0 157 1,-0.1 -1,-0.3 -3,-0.1 16,-0.1 0.306 115.8 49.9 -99.8 12.2 17.4 13.5 20.2 46 46 A F T X4 S+ 0 0 8 -3,-2.0 3,-2.0 -6,-0.3 -2,-0.2 0.503 81.8 95.8-118.8 -9.1 20.1 16.1 19.6 47 47 A K T 3< S+ 0 0 89 -4,-1.1 -3,-0.1 1,-0.3 -2,-0.1 0.741 82.6 54.7 -37.2 -38.3 18.8 18.3 22.4 48 48 A H T 3 S+ 0 0 116 -4,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.344 72.8 104.6 -99.2 6.2 21.4 16.7 24.6 49 49 A L < - 0 0 14 -3,-2.0 3,-0.0 1,-0.2 -3,-0.0 -0.807 48.8-174.0 -81.4 128.4 24.7 17.3 22.8 50 50 A K + 0 0 181 -2,-0.5 2,-0.3 1,-0.0 -1,-0.2 0.756 58.3 30.3-100.7 -26.8 26.2 20.2 24.7 51 51 A T S > S- 0 0 71 1,-0.1 4,-3.0 0, 0.0 5,-0.1 -0.795 80.0-111.3-128.1 169.0 29.3 21.1 22.7 52 52 A E H > S+ 0 0 98 -2,-0.3 4,-4.6 2,-0.2 5,-0.2 0.872 118.5 55.5 -73.1 -28.9 30.3 21.0 19.1 53 53 A A H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.963 110.9 45.1 -65.2 -44.8 32.8 18.2 19.7 54 54 A E H 4 S+ 0 0 89 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.918 116.4 47.2 -54.8 -51.2 29.9 16.2 21.2 55 55 A M H >< S+ 0 0 19 -4,-3.0 3,-1.8 1,-0.2 -2,-0.2 0.974 112.3 49.4 -58.0 -53.6 27.8 17.3 18.2 56 56 A K H 3< S+ 0 0 107 -4,-4.6 -2,-0.2 1,-0.3 -1,-0.2 0.905 110.5 49.2 -52.0 -46.2 30.6 16.4 15.7 57 57 A A T 3< S+ 0 0 74 -4,-2.5 2,-0.9 -5,-0.2 -1,-0.3 0.443 84.7 108.2 -80.5 5.0 31.2 12.9 17.2 58 58 A S <> - 0 0 24 -3,-1.8 4,-2.8 -4,-0.4 5,-0.1 -0.724 52.5-163.9 -90.9 113.4 27.6 12.0 17.2 59 59 A E H > S+ 0 0 105 -2,-0.9 4,-3.5 1,-0.2 5,-0.3 0.929 89.8 54.6 -51.5 -53.9 26.8 9.4 14.5 60 60 A D H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.886 110.8 44.1 -45.8 -53.3 23.1 10.0 14.7 61 61 A L H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.949 114.5 52.5 -59.8 -45.8 23.5 13.8 14.2 62 62 A K H X S+ 0 0 75 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.969 112.1 41.6 -55.5 -60.5 25.9 13.0 11.4 63 63 A K H X S+ 0 0 113 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.878 110.0 62.1 -56.1 -38.5 23.7 10.6 9.5 64 64 A H H X S+ 0 0 49 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.955 103.8 46.8 -52.6 -53.7 20.8 13.0 10.2 65 65 A G H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.829 109.1 54.9 -62.5 -30.5 22.4 15.8 8.2 66 66 A V H X S+ 0 0 48 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.960 107.3 49.7 -66.7 -44.1 23.2 13.5 5.3 67 67 A T H X S+ 0 0 102 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.908 115.8 45.2 -56.1 -42.9 19.6 12.5 5.0 68 68 A E H X S+ 0 0 42 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.909 114.4 44.1 -67.9 -46.3 18.7 16.2 5.1 69 69 A L H X S+ 0 0 6 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.849 111.4 55.5 -73.2 -30.9 21.3 17.5 2.6 70 70 A T H X S+ 0 0 79 -4,-2.9 4,-2.3 -5,-0.3 5,-0.2 0.908 109.5 46.3 -66.7 -43.1 20.6 14.6 0.3 71 71 A A H X S+ 0 0 46 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.948 114.6 48.1 -63.5 -44.0 16.9 15.4 0.1 72 72 A L H X S+ 0 0 21 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.938 111.2 49.8 -61.4 -45.9 17.7 19.1 -0.4 73 73 A G H X S+ 0 0 2 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.916 107.4 53.7 -63.8 -39.4 20.3 18.4 -3.1 74 74 A A H X S+ 0 0 53 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.905 109.7 50.1 -59.7 -35.1 17.8 16.1 -5.0 75 75 A I H ><>S+ 0 0 6 -4,-1.7 3,-1.5 -5,-0.2 5,-0.6 0.979 108.1 50.8 -68.7 -50.4 15.3 19.0 -4.9 76 76 A L H ><5S+ 0 0 4 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.877 103.2 61.2 -51.0 -40.9 17.8 21.6 -6.3 77 77 A K H 3<5S+ 0 0 106 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.750 92.7 63.9 -64.4 -21.3 18.7 19.3 -9.2 78 78 A K T X<5S- 0 0 62 -3,-1.5 3,-2.2 -4,-0.7 -1,-0.3 0.574 101.9-137.2 -80.3 -2.5 15.1 19.3 -10.5 79 79 A K T < 5S- 0 0 86 -3,-2.1 -77,-0.1 1,-0.3 -3,-0.1 0.895 72.8 -38.4 51.1 49.9 15.7 23.0 -11.0 80 80 A G T 3 > + 0 0 9 -2,-1.9 4,-2.3 1,-0.1 3,-1.0 0.153 12.2 115.2-131.4 26.5 10.1 19.5 -7.7 83 83 A E H 3> S+ 0 0 107 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.871 78.3 63.2 -68.1 -32.8 6.5 19.0 -6.4 84 84 A A H 34 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.720 117.8 27.3 -65.7 -18.9 6.9 15.2 -6.5 85 85 A E H <> S+ 0 0 104 -3,-1.0 4,-0.5 2,-0.1 -1,-0.2 0.642 114.7 61.3-120.2 -13.3 9.7 15.5 -3.9 86 86 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.1 5,-0.3 0.803 98.5 64.4 -68.2 -33.2 8.6 18.7 -2.2 87 87 A K H X S+ 0 0 100 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.933 99.4 44.3 -64.0 -53.5 5.4 17.0 -1.2 88 88 A P H > S+ 0 0 64 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.763 116.8 50.4 -65.3 -21.5 6.5 14.2 1.2 89 89 A L H X S+ 0 0 36 -4,-0.5 4,-3.0 2,-0.2 5,-0.3 0.914 110.0 44.9 -82.9 -46.3 8.8 16.6 2.9 90 90 A A H X S+ 0 0 0 -4,-2.5 4,-3.7 1,-0.2 5,-0.4 0.901 112.1 57.4 -62.2 -33.7 6.3 19.4 3.5 91 91 A Q H X S+ 0 0 97 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.915 113.1 36.2 -63.0 -46.2 4.0 16.6 4.7 92 92 A S H <>S+ 0 0 24 -4,-1.5 5,-1.5 -5,-0.2 6,-0.5 0.887 122.8 45.6 -77.6 -32.8 6.3 15.3 7.4 93 93 A H H <>S+ 0 0 41 -4,-3.0 6,-1.7 3,-0.2 5,-1.0 0.882 117.7 42.0 -78.7 -35.4 7.6 18.8 8.2 94 94 A A H <5S+ 0 0 17 -4,-3.7 -3,-0.2 -5,-0.3 -2,-0.2 0.972 127.7 28.5 -68.5 -54.2 4.2 20.5 8.3 95 95 A T T <5S+ 0 0 61 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 -0.354 131.9 22.2-112.3 46.5 2.3 17.8 10.1 96 96 A K T 5S+ 0 0 115 -3,-0.5 -3,-0.2 -4,-0.1 -4,-0.1 -0.178 126.4 27.4-159.2 -88.7 5.0 16.1 12.3 97 97 A H T > - 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