==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 23-FEB-07 2JHO . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.ARCOVITO,M.BENFATTO,M.CIANCI,S.S.HASNAIN,K.NIENHAUS, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 79.7 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 . 96 62.7 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 2 0 0 0 0 0 0 0 1 1 1 0 0 2 0 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 0 162 0, 0.0 2,-0.2 0, 0.0 133,-0.1 0.000 360.0 360.0 360.0 148.6 -6.6 5.2 30.0 2 2 A L - 0 0 9 1,-0.1 2,-0.1 131,-0.1 128,-0.0 -0.508 360.0-120.4 -73.6 149.5 -7.7 7.0 26.8 3 3 A S > - 0 0 58 -2,-0.2 4,-3.2 1,-0.1 5,-0.3 -0.437 25.1-109.9 -78.0 161.2 -11.0 8.7 26.6 4 4 A E H > S+ 0 0 122 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.889 122.0 55.2 -59.4 -33.0 -13.6 7.7 24.1 5 5 A G H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 109.3 48.0 -63.7 -37.2 -13.0 11.1 22.4 6 6 A E H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.903 110.1 50.6 -73.7 -39.9 -9.3 10.2 22.2 7 7 A W H X S+ 0 0 14 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.889 106.2 56.0 -59.5 -44.4 -10.0 6.7 20.9 8 8 A Q H X S+ 0 0 142 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.925 109.2 48.0 -50.4 -44.0 -12.3 8.2 18.2 9 9 A L H X S+ 0 0 48 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.931 110.8 50.5 -62.4 -45.0 -9.3 10.3 17.1 10 10 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 114.3 42.9 -56.2 -50.1 -7.0 7.3 17.1 11 11 A L H X S+ 0 0 48 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.797 108.3 56.9 -78.6 -28.5 -9.2 5.2 14.9 12 12 A H H X S+ 0 0 102 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.951 113.1 43.6 -56.4 -48.0 -10.2 8.0 12.5 13 13 A V H >X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 3,-1.2 0.938 111.1 55.5 -64.4 -47.2 -6.4 8.4 11.8 14 14 A W H 3X S+ 0 0 6 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.858 99.1 58.7 -56.7 -39.1 -6.1 4.6 11.7 15 15 A A H 3< S+ 0 0 54 -4,-1.9 4,-0.4 1,-0.2 -1,-0.3 0.804 101.9 57.6 -59.4 -35.4 -8.7 4.3 9.0 16 16 A K H X< S+ 0 0 56 -3,-1.2 3,-1.4 -4,-0.9 4,-0.5 0.906 103.4 51.1 -52.5 -51.4 -6.4 6.6 7.0 17 17 A V H >< S+ 0 0 2 -4,-1.4 3,-1.8 1,-0.3 7,-0.3 0.899 101.8 63.1 -56.9 -40.4 -3.5 4.2 7.3 18 18 A E G >< S+ 0 0 86 -4,-1.9 3,-0.6 1,-0.3 -1,-0.3 0.731 86.3 71.6 -64.9 -14.3 -5.8 1.4 6.1 19 19 A A G < S+ 0 0 92 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.784 124.0 8.1 -68.8 -23.4 -6.2 3.2 2.7 20 20 A D G <> S+ 0 0 70 -3,-1.8 4,-2.3 -4,-0.5 -1,-0.3 -0.447 73.9 164.3-157.2 75.6 -2.6 2.2 1.9 21 21 A V H <> S+ 0 0 37 -3,-0.6 4,-3.0 1,-0.2 5,-0.2 0.926 79.3 49.1 -67.3 -45.1 -1.4 -0.1 4.6 22 22 A A H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.920 111.9 48.7 -64.1 -39.5 1.6 -1.3 2.6 23 23 A G H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 113.8 46.5 -63.9 -43.0 2.7 2.2 1.7 24 24 A H H X S+ 0 0 2 -4,-2.3 4,-2.5 -7,-0.3 -2,-0.2 0.929 112.8 50.2 -66.3 -44.2 2.4 3.3 5.4 25 25 A G H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.889 109.8 50.5 -60.8 -46.8 4.3 0.2 6.5 26 26 A Q H X S+ 0 0 37 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.916 112.8 45.0 -50.7 -54.6 7.1 0.8 4.1 27 27 A D H X S+ 0 0 40 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.873 114.4 50.0 -64.9 -38.4 7.5 4.5 5.1 28 28 A I H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.933 112.5 45.0 -66.5 -52.5 7.4 3.6 8.8 29 29 A L H X S+ 0 0 4 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.928 115.2 48.2 -57.1 -46.1 10.0 0.8 8.7 30 30 A I H X S+ 0 0 7 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.930 111.8 48.7 -62.1 -42.0 12.3 2.9 6.5 31 31 A R H X S+ 0 0 101 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.936 113.3 48.8 -65.0 -40.8 12.0 5.9 8.8 32 32 A L H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 7,-0.3 0.943 114.4 45.1 -58.4 -51.5 12.7 3.5 11.8 33 33 A F H < S+ 0 0 2 -4,-2.8 7,-0.3 1,-0.2 -1,-0.2 0.823 118.7 40.7 -68.5 -35.6 15.8 1.9 10.1 34 34 A K H < S+ 0 0 93 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.864 118.9 44.1 -79.2 -40.7 17.3 5.2 8.9 35 35 A S H < S+ 0 0 47 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.800 131.2 23.5 -72.0 -33.2 16.6 7.2 12.1 36 36 A H >X + 0 0 49 -4,-2.4 3,-2.3 -5,-0.3 4,-0.5 -0.702 67.0 180.0-136.8 79.9 17.7 4.4 14.3 37 37 A P H 3> S+ 0 0 84 0, 0.0 4,-1.1 0, 0.0 3,-0.4 0.718 76.0 72.3 -61.9 -22.3 20.1 2.0 12.6 38 38 A E H 3> S+ 0 0 83 1,-0.2 4,-0.5 2,-0.2 -5,-0.1 0.772 93.3 60.3 -59.0 -25.4 20.5 -0.2 15.7 39 39 A T H X4 S+ 0 0 5 -3,-2.3 3,-1.1 -7,-0.3 4,-0.3 0.884 96.2 56.2 -70.7 -39.2 16.9 -1.4 14.9 40 40 A L H >< S+ 0 0 20 -4,-0.5 3,-2.1 -3,-0.4 6,-0.3 0.867 98.4 64.0 -56.8 -39.3 17.7 -2.7 11.5 41 41 A E H 3< S+ 0 0 128 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.777 90.9 65.4 -59.5 -25.9 20.4 -5.0 13.0 42 42 A K T << S+ 0 0 81 -3,-1.1 2,-0.9 -4,-0.5 -1,-0.3 0.689 89.9 76.3 -68.7 -13.9 17.6 -6.8 15.0 43 43 A F X> - 0 0 53 -3,-2.1 4,-2.3 -4,-0.3 3,-1.5 -0.782 52.5-178.8-105.2 95.8 16.2 -8.1 11.7 44 44 A D T 34 S+ 0 0 132 -2,-0.9 4,-0.2 1,-0.2 -1,-0.2 0.838 89.3 60.7 -47.8 -31.5 18.2 -10.9 10.2 45 45 A R T 34 S+ 0 0 108 1,-0.2 -1,-0.2 -3,-0.1 15,-0.1 0.692 119.4 20.8 -69.1 -30.1 15.5 -10.7 7.5 46 46 A F T X4 S+ 0 0 1 -3,-1.5 3,-2.4 -6,-0.3 -2,-0.2 0.480 89.2 101.5-120.7 -9.9 16.4 -7.1 6.5 47 47 A K T 3< S+ 0 0 86 -4,-2.3 -3,-0.1 1,-0.3 -2,-0.1 0.594 72.9 68.8 -65.2 -12.9 19.9 -6.4 7.7 48 48 A H T 3 S+ 0 0 114 -4,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.533 75.2 103.4 -70.7 -15.4 21.4 -6.8 4.2 49 49 A L < + 0 0 9 -3,-2.4 3,-0.1 1,-0.1 -3,-0.1 -0.684 43.6 170.8 -76.9 125.7 19.6 -3.6 3.2 50 50 A K + 0 0 143 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.459 56.2 34.9-113.5 -14.4 22.2 -0.8 3.1 51 51 A T S > S- 0 0 59 1,-0.1 4,-2.1 0, 0.0 3,-0.2 -0.974 78.9-113.1-139.4 161.7 20.5 2.2 1.5 52 52 A E H > S+ 0 0 91 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.911 116.7 58.4 -65.5 -32.9 17.0 3.7 1.5 53 53 A A H > S+ 0 0 71 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.903 106.1 47.9 -60.5 -42.6 16.7 2.8 -2.2 54 54 A E H 4 S+ 0 0 83 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.893 112.1 50.2 -64.3 -43.0 17.3 -0.8 -1.4 55 55 A M H >< S+ 0 0 2 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.942 110.4 48.7 -60.6 -47.5 14.7 -0.6 1.4 56 56 A K H 3< S+ 0 0 93 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.772 111.5 51.8 -64.0 -30.1 12.1 1.0 -0.8 57 57 A A T 3< S+ 0 0 78 -4,-1.7 2,-0.8 -5,-0.3 -1,-0.3 0.464 83.8 106.4 -78.6 -10.7 12.8 -1.7 -3.5 58 58 A S <> - 0 0 18 -3,-1.4 4,-1.5 -4,-0.4 5,-0.1 -0.683 47.2-172.1 -79.9 117.3 12.3 -4.6 -1.1 59 59 A E H > S+ 0 0 141 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.858 88.1 55.7 -72.0 -33.1 9.0 -6.4 -1.7 60 60 A D H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.864 103.7 53.6 -68.6 -36.1 9.6 -8.5 1.4 61 61 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.881 109.0 49.2 -63.8 -42.9 10.0 -5.4 3.6 62 62 A K H X S+ 0 0 75 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.914 110.2 51.2 -61.6 -43.4 6.6 -4.1 2.3 63 63 A K H X S+ 0 0 142 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.912 110.5 48.9 -56.8 -44.0 5.0 -7.6 3.0 64 64 A H H X S+ 0 0 30 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.889 103.9 60.1 -68.3 -37.8 6.4 -7.4 6.6 65 65 A G H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.895 103.7 52.0 -57.0 -35.5 5.0 -3.8 7.0 66 66 A V H X S+ 0 0 54 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.917 107.6 50.9 -69.0 -37.1 1.6 -5.2 6.4 67 67 A T H X S+ 0 0 88 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.889 114.4 45.6 -62.1 -44.1 2.0 -7.9 9.1 68 68 A V H X S+ 0 0 42 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.947 115.7 41.4 -65.2 -51.9 3.1 -5.3 11.6 69 69 A L H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.824 111.6 58.4 -73.7 -28.4 0.5 -2.6 10.9 70 70 A T H X S+ 0 0 87 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.918 110.6 43.3 -59.7 -44.8 -2.3 -5.4 10.7 71 71 A A H X S+ 0 0 39 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.930 115.9 47.3 -68.9 -41.9 -1.3 -6.5 14.3 72 72 A L H X S+ 0 0 13 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.927 111.0 51.9 -69.5 -40.7 -1.1 -2.9 15.5 73 73 A G H X S+ 0 0 3 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.886 109.6 49.7 -56.0 -47.0 -4.5 -2.0 13.9 74 74 A A H < S+ 0 0 50 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.903 111.1 48.9 -62.3 -36.9 -6.1 -4.9 15.6 75 75 A I H ><>S+ 0 0 5 -4,-2.0 3,-1.4 1,-0.2 5,-0.5 0.939 111.2 50.1 -68.1 -45.0 -4.7 -3.9 19.0 76 76 A L H ><5S+ 0 0 3 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.841 103.6 59.1 -62.6 -33.6 -5.8 -0.3 18.5 77 77 A K T 3<5S+ 0 0 104 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.624 94.6 66.0 -75.8 -8.6 -9.4 -1.4 17.6 78 78 A K T X 5S- 0 0 100 -3,-1.4 3,-2.2 -4,-0.5 -1,-0.3 0.557 99.2-140.7 -87.7 -6.8 -9.6 -3.1 21.0 79 79 A K T < 5S- 0 0 71 -3,-1.7 -3,-0.1 1,-0.3 -2,-0.1 0.891 73.7 -36.6 50.4 51.2 -9.4 0.3 22.6 80 80 A G T 3 + 0 0 5 -2,-1.6 4,-2.3 1,-0.2 3,-0.3 0.087 14.9 124.1-121.9 27.1 -5.8 -6.0 24.2 83 83 A E H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.876 81.2 45.0 -53.4 -44.9 -4.4 -8.5 26.7 84 84 A A H 4 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.820 114.6 48.1 -76.3 -32.0 -4.7 -11.5 24.4 85 85 A E H > S+ 0 0 66 -3,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.829 113.9 47.0 -74.8 -38.3 -3.3 -9.7 21.4 86 86 A L H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.1 5,-0.3 0.825 94.3 75.0 -74.7 -36.6 -0.3 -8.3 23.3 87 87 A K H X S+ 0 0 123 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.923 100.3 39.8 -42.6 -58.1 0.8 -11.6 25.1 88 88 A P H > S+ 0 0 77 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.874 116.7 52.0 -67.0 -29.7 2.4 -13.3 22.1 89 89 A L H X S+ 0 0 44 -4,-0.7 4,-2.6 2,-0.2 5,-0.3 0.892 111.1 45.7 -70.4 -45.8 4.0 -10.1 20.8 90 90 A A H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.930 114.8 50.7 -66.0 -39.7 5.6 -9.2 24.1 91 91 A Q H X S+ 0 0 90 -4,-2.4 4,-2.7 -5,-0.3 5,-0.4 0.928 114.9 39.2 -63.8 -49.3 6.8 -12.8 24.4 92 92 A S H X>S+ 0 0 29 -4,-2.8 5,-3.3 2,-0.2 4,-1.9 0.901 117.2 50.2 -70.8 -40.1 8.4 -13.0 21.0 93 93 A H H <5S+ 0 0 53 -4,-2.6 6,-3.2 -5,-0.2 -2,-0.2 0.889 118.7 37.9 -64.7 -38.6 9.8 -9.5 21.1 94 94 A A H <5S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.944 131.3 23.6 -70.4 -52.4 11.4 -9.9 24.5 95 95 A T H <5S+ 0 0 59 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.743 133.3 24.8 -98.5 -29.8 12.6 -13.5 24.3 96 96 A K T <5S+ 0 0 150 -4,-1.9 -3,-0.2 -5,-0.4 -4,-0.1 0.814 131.3 29.6-101.2 -52.7 13.1 -14.3 20.6 97 97 A H S > - 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