==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 04-MAR-05 2BLH . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR K.NIENHAUS,A.OSTERMANN,G.U.NIENHAUS,F.G.PARAK,M.SCHMIDT . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8844.0 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 . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 1 0 0 0 0 0 0 1 1 1 0 0 2 0 0 0 0 0 0 1 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 0 166 0, 0.0 2,-0.2 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 128.9 27.6 11.9 -11.9 2 2 A L - 0 0 14 77,-0.1 2,-0.1 1,-0.1 128,-0.0 -0.647 360.0-118.6 -92.0 151.9 29.0 15.3 -10.8 3 3 A S > - 0 0 63 -2,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.448 26.8-109.4 -83.6 163.0 30.1 17.9 -13.3 4 4 A E H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.888 121.1 57.6 -58.6 -37.9 33.7 19.2 -13.4 5 5 A G H > S+ 0 0 46 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.875 105.9 48.0 -60.6 -38.8 32.4 22.5 -12.0 6 6 A E H > S+ 0 0 57 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.897 109.6 52.1 -70.1 -40.4 30.9 20.7 -9.0 7 7 A W H X S+ 0 0 16 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.894 105.2 57.4 -62.8 -37.4 34.2 18.8 -8.3 8 8 A Q H X S+ 0 0 98 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.889 105.6 49.1 -60.4 -39.3 36.1 22.1 -8.5 9 9 A L H X S+ 0 0 73 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.891 112.5 49.0 -67.2 -38.8 34.0 23.5 -5.6 10 10 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.944 113.6 43.9 -65.8 -49.7 34.5 20.4 -3.5 11 11 A L H X S+ 0 0 37 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.757 107.0 62.0 -71.0 -22.2 38.3 20.3 -4.0 12 12 A H H X S+ 0 0 93 -4,-1.6 4,-0.6 -5,-0.3 -1,-0.2 0.937 110.5 37.5 -68.7 -45.6 38.7 24.0 -3.4 13 13 A V H >X S+ 0 0 1 -4,-1.4 4,-1.6 1,-0.2 3,-0.6 0.836 112.1 59.2 -75.6 -29.7 37.3 23.9 0.1 14 14 A W H 3X S+ 0 0 10 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.871 97.0 61.9 -66.2 -31.7 39.0 20.5 0.8 15 15 A A H 3< S+ 0 0 53 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.833 104.2 49.1 -60.9 -31.4 42.4 22.3 0.1 16 16 A K H X< S+ 0 0 91 -4,-0.6 3,-1.5 -3,-0.6 4,-0.3 0.878 106.7 54.5 -75.0 -39.9 41.6 24.5 3.0 17 17 A V H >< S+ 0 0 4 -4,-1.6 3,-1.9 1,-0.3 7,-0.3 0.892 99.7 63.1 -59.8 -39.0 40.8 21.6 5.3 18 18 A E G >< S+ 0 0 96 -4,-2.2 3,-0.5 1,-0.3 -1,-0.3 0.588 84.4 75.3 -65.1 -9.3 44.2 20.1 4.4 19 19 A A G < S+ 0 0 92 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.718 117.4 14.1 -73.7 -19.4 46.0 23.1 6.1 20 20 A D G <> + 0 0 69 -3,-1.9 4,-2.0 -4,-0.3 -1,-0.3 -0.465 70.0 164.7-154.2 74.0 45.0 21.5 9.5 21 21 A V H <> S+ 0 0 50 -3,-0.5 4,-2.4 1,-0.2 5,-0.1 0.912 78.4 51.3 -61.6 -43.8 43.9 17.9 9.2 22 22 A A H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 110.3 48.8 -60.9 -45.3 44.3 17.1 12.9 23 23 A G H > S+ 0 0 10 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 112.9 46.3 -62.6 -44.3 42.2 20.1 14.0 24 24 A H H X S+ 0 0 2 -4,-2.0 4,-2.1 -7,-0.3 -1,-0.2 0.884 109.3 56.9 -66.5 -36.9 39.4 19.4 11.6 25 25 A G H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.927 107.5 47.6 -58.9 -45.8 39.4 15.7 12.6 26 26 A Q H X S+ 0 0 40 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.940 110.7 49.4 -60.8 -51.8 38.9 16.6 16.2 27 27 A D H X S+ 0 0 63 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.885 111.8 50.9 -56.3 -41.8 36.0 19.0 15.6 28 28 A I H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.935 112.3 42.0 -65.0 -49.8 34.2 16.5 13.4 29 29 A W H X S+ 0 0 23 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.856 115.1 51.5 -69.3 -31.5 34.3 13.4 15.7 30 30 A I H X S+ 0 0 15 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.911 109.0 50.7 -69.6 -40.5 33.4 15.6 18.7 31 31 A R H X S+ 0 0 95 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.901 112.4 48.2 -61.5 -41.8 30.4 17.0 16.9 32 32 A L H X S+ 0 0 7 -4,-2.0 4,-2.8 1,-0.2 7,-0.2 0.950 111.3 47.2 -64.9 -51.5 29.3 13.5 16.0 33 33 A F H < S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.806 114.9 47.4 -62.5 -30.7 29.6 12.0 19.5 34 34 A K H < S+ 0 0 108 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.876 118.2 39.4 -77.6 -39.3 27.8 15.0 21.0 35 35 A S H < S+ 0 0 46 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.794 132.0 24.6 -80.6 -31.0 24.9 15.0 18.5 36 36 A H >< + 0 0 32 -4,-2.8 3,-2.2 -5,-0.2 4,-0.4 -0.631 66.0 178.4-137.8 76.6 24.6 11.2 18.2 37 37 A P G >> S+ 0 0 81 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.745 75.6 71.5 -48.5 -31.9 25.9 9.6 21.5 38 38 A E G >4 S+ 0 0 82 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.766 87.1 64.2 -61.3 -25.4 25.0 6.1 20.2 39 39 A T G X4 S+ 0 0 5 -3,-2.2 3,-1.4 1,-0.2 -1,-0.3 0.805 91.2 64.7 -69.3 -27.2 27.8 6.2 17.6 40 40 A L G X4 S+ 0 0 18 -3,-1.2 3,-1.7 -4,-0.4 6,-0.3 0.813 88.5 69.2 -64.9 -29.3 30.4 6.3 20.5 41 41 A E G << S+ 0 0 116 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.672 86.8 67.5 -64.0 -17.8 29.4 2.8 21.5 42 42 A K G < S+ 0 0 71 -3,-1.4 2,-0.8 -4,-0.3 -1,-0.3 0.620 88.6 72.0 -79.2 -12.7 30.9 1.4 18.3 43 43 A F X> - 0 0 45 -3,-1.7 4,-2.1 -4,-0.2 3,-1.3 -0.848 55.2-177.1-106.9 98.8 34.4 2.3 19.5 44 44 A D T 34 S+ 0 0 131 -2,-0.8 -1,-0.2 1,-0.3 4,-0.1 0.741 88.1 60.0 -63.8 -17.9 35.5 0.0 22.3 45 45 A R T 34 S+ 0 0 127 1,-0.1 -1,-0.3 -3,-0.1 15,-0.1 0.700 118.9 22.8 -82.3 -20.7 38.7 2.2 22.3 46 46 A F T X4 S+ 0 0 1 -3,-1.3 3,-2.0 -6,-0.3 -2,-0.2 0.457 87.7 104.5-124.1 -4.6 36.8 5.5 23.0 47 47 A K T 3< S+ 0 0 99 -4,-2.1 -3,-0.1 1,-0.3 -2,-0.1 0.594 75.1 64.6 -57.4 -12.2 33.6 4.4 24.8 48 48 A H T 3 S+ 0 0 126 -4,-0.1 -1,-0.3 -8,-0.1 2,-0.2 0.651 71.6 110.6 -86.7 -16.6 34.9 5.5 28.2 49 49 A L < + 0 0 17 -3,-2.0 3,-0.1 1,-0.1 -3,-0.0 -0.426 41.5 179.0 -62.5 126.2 35.2 9.2 27.3 50 50 A K + 0 0 177 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.763 54.5 33.4-101.4 -32.0 32.5 11.0 29.4 51 51 A T S > S- 0 0 65 1,-0.1 4,-1.9 0, 0.0 5,-0.1 -0.813 75.4-113.6-127.3 166.9 32.9 14.7 28.5 52 52 A E H > S+ 0 0 93 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.878 118.4 58.1 -63.1 -35.9 33.9 17.0 25.6 53 53 A A H > S+ 0 0 73 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.909 105.6 47.1 -60.3 -45.0 36.9 18.0 27.7 54 54 A E H > S+ 0 0 86 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.867 112.3 51.1 -65.9 -35.9 38.1 14.3 27.9 55 55 A M H >< S+ 0 0 11 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.922 108.2 51.0 -66.3 -44.5 37.6 13.9 24.1 56 56 A K H 3< S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.777 110.8 49.9 -65.1 -26.5 39.6 17.1 23.3 57 57 A A H 3< S+ 0 0 83 -4,-1.3 2,-0.6 -5,-0.2 -1,-0.2 0.540 83.8 110.4 -90.3 -7.4 42.5 15.8 25.4 58 58 A S S+ 0 0 111 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.873 88.0 54.2 -67.5 -38.5 45.7 11.8 21.8 60 60 A D H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.865 106.1 50.5 -65.5 -38.1 44.4 8.6 20.4 61 61 A L H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 109.3 52.9 -67.5 -36.8 41.1 10.2 19.2 62 62 A K H X S+ 0 0 80 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.928 108.3 50.2 -62.1 -45.6 43.2 12.9 17.5 63 63 A K H X S+ 0 0 117 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.890 109.2 51.0 -60.5 -42.5 45.3 10.3 15.6 64 64 A H H X S+ 0 0 45 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.861 103.9 58.4 -66.1 -34.8 42.2 8.4 14.4 65 65 A G H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.884 105.3 50.3 -61.2 -37.8 40.7 11.6 13.1 66 66 A V H X S+ 0 0 45 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.915 109.2 51.1 -65.9 -43.6 43.8 12.1 10.8 67 67 A T H X S+ 0 0 91 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.917 111.9 47.7 -59.9 -44.0 43.5 8.5 9.5 68 68 A V H X S+ 0 0 40 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.933 113.1 45.3 -64.9 -48.2 39.8 9.0 8.7 69 69 A L H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.847 110.5 54.6 -67.6 -31.8 40.2 12.4 6.9 70 70 A T H X S+ 0 0 89 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.924 109.8 47.1 -67.0 -41.7 43.2 11.2 4.9 71 71 A A H X S+ 0 0 47 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.898 114.0 47.2 -66.0 -39.6 41.2 8.2 3.6 72 72 A L H X S+ 0 0 21 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.887 108.9 54.9 -69.1 -38.8 38.2 10.4 2.7 73 73 A G H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.885 104.5 53.8 -61.5 -38.8 40.5 12.9 0.9 74 74 A A H < S+ 0 0 48 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.878 109.5 48.7 -64.3 -36.7 42.0 10.2 -1.3 75 75 A I H ><>S+ 0 0 6 -4,-1.3 3,-1.4 1,-0.2 5,-0.5 0.945 110.1 49.9 -68.3 -48.5 38.5 9.2 -2.4 76 76 A L H ><5S+ 0 0 6 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.865 103.8 59.6 -59.8 -37.2 37.3 12.7 -3.2 77 77 A K T 3<5S+ 0 0 114 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.663 93.3 67.3 -67.8 -14.2 40.5 13.4 -5.3 78 78 A K T X 5S- 0 0 99 -3,-1.4 3,-1.5 -4,-0.4 -1,-0.3 0.596 96.8-141.4 -79.8 -11.6 39.5 10.5 -7.6 79 79 A K T < 5S- 0 0 72 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.877 73.3 -36.1 52.1 45.3 36.5 12.5 -8.8 80 80 A G T 3 + 0 0 6 -2,-1.1 4,-1.9 1,-0.2 3,-0.3 0.111 18.4 120.5-109.9 20.4 37.1 5.4 -6.6 83 83 A E H > S+ 0 0 118 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.897 78.7 47.1 -50.2 -50.9 36.2 1.7 -7.1 84 84 A A H 4 S+ 0 0 66 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.849 111.9 50.6 -63.2 -36.7 39.6 0.5 -5.8 85 85 A E H > S+ 0 0 59 -3,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.817 107.7 53.2 -72.3 -32.0 39.6 2.7 -2.7 86 86 A L H X S+ 0 0 7 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.793 91.8 72.8 -76.5 -28.3 36.1 1.7 -1.6 87 87 A K H X S+ 0 0 123 -4,-1.2 4,-2.2 1,-0.2 5,-0.2 0.932 101.1 39.1 -55.3 -54.5 36.5 -2.1 -1.5 88 88 A P H > S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.863 117.2 51.6 -66.7 -31.1 38.7 -2.4 1.6 89 89 A L H X S+ 0 0 47 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.905 110.3 48.2 -69.6 -42.6 36.8 0.3 3.4 90 90 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 5,-0.3 0.904 111.2 51.2 -65.0 -42.1 33.4 -1.4 2.7 91 91 A Q H X>S+ 0 0 119 -4,-2.2 4,-2.4 -5,-0.2 5,-0.6 0.946 112.3 43.6 -63.3 -48.4 34.7 -4.8 3.8 92 92 A S H X>S+ 0 0 37 -4,-2.1 5,-2.5 1,-0.2 4,-1.5 0.911 116.3 46.7 -65.2 -41.4 36.1 -3.6 7.2 93 93 A H H <5S+ 0 0 57 -4,-2.0 6,-3.0 -5,-0.2 -1,-0.2 0.748 119.3 38.9 -75.2 -22.0 33.1 -1.4 8.1 94 94 A A H <5S+ 0 0 1 -4,-1.6 -2,-0.2 4,-0.2 -1,-0.2 0.858 128.4 28.2 -92.3 -39.0 30.4 -4.0 7.1 95 95 A T H <5S+ 0 0 86 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.838 132.2 22.8 -93.0 -39.7 32.1 -7.2 8.4 96 96 A K T <> - 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