==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 23-APR-82 2LH6 . COMPND 2 MOLECULE: LEGHEMOGLOBIN A (NICOTINATE MET); . SOURCE 2 ORGANISM_SCIENTIFIC: LUPINUS LUTEUS; . AUTHOR B.K.VAINSHTEIN,E.H.HARUTYUNYAN,I.P.KURANOVA,V.V.BORISOV, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 77.1 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 . 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 . 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 . 1 0.7 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 0 0 0 0 0 0 1 0 0 2 1 0 0 0 0 0 0 0 1 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 G 0 0 77 0, 0.0 3,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -41.8 37.4 49.0 31.3 2 2 A A - 0 0 83 1,-0.2 80,-0.1 130,-0.1 131,-0.0 0.089 360.0 -73.9 84.1 -28.9 34.9 49.4 28.4 3 3 A L - 0 0 10 77,-0.0 -1,-0.2 76,-0.0 79,-0.1 0.935 61.9-169.2 87.5 76.9 36.1 46.8 26.1 4 4 A T > - 0 0 59 -3,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.272 44.8 -96.8 -75.9 168.1 39.4 48.3 24.5 5 5 A E H > S+ 0 0 159 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.845 131.8 56.1 -59.5 -31.1 40.9 46.5 21.6 6 6 A S H > S+ 0 0 63 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.916 104.4 49.2 -70.0 -44.4 43.0 45.0 24.2 7 7 A Q H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.902 111.9 48.9 -59.4 -37.0 40.0 43.6 26.4 8 8 A A H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.3 5,-0.2 0.893 104.0 58.3 -75.8 -31.0 38.2 42.0 23.4 9 9 A A H X S+ 0 0 62 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.3 0.821 105.6 52.0 -63.3 -32.5 41.2 40.4 22.3 10 10 A L H X S+ 0 0 62 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.918 109.1 46.8 -71.3 -41.6 41.1 38.9 25.7 11 11 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.946 113.0 49.7 -66.0 -38.8 37.4 37.4 25.5 12 12 A K H X S+ 0 0 84 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.886 109.2 50.8 -67.1 -43.8 37.9 35.9 22.1 13 13 A S H X S+ 0 0 56 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.888 112.1 45.9 -60.3 -46.9 40.9 34.3 23.1 14 14 A S H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.869 110.8 53.5 -69.0 -27.9 39.2 32.8 26.2 15 15 A W H X S+ 0 0 38 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.910 104.0 55.2 -73.5 -33.4 36.0 31.5 24.3 16 16 A E H X S+ 0 0 96 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.940 104.6 54.2 -66.7 -38.5 38.1 29.8 21.9 17 17 A E H >< S+ 0 0 60 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.915 106.3 51.4 -57.9 -42.0 39.5 28.1 24.8 18 18 A F H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 7,-0.3 0.914 106.9 53.2 -58.8 -40.7 35.9 26.9 26.1 19 19 A N H >< S+ 0 0 78 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.670 87.2 79.3 -74.0 -17.2 34.8 25.4 22.7 20 20 A A T << S+ 0 0 86 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.589 107.7 25.3 -65.4 -17.1 37.8 23.5 22.7 21 21 A N T <> + 0 0 56 -3,-1.9 4,-2.9 -4,-0.2 3,-0.5 -0.220 63.8 162.0-149.2 58.0 36.0 21.0 25.2 22 22 A I H <> S+ 0 0 39 -3,-0.7 4,-2.6 2,-0.2 5,-0.4 0.849 74.7 52.1 -43.3 -52.9 32.2 21.1 25.1 23 23 A P H > S+ 0 0 58 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.903 120.9 39.0 -61.1 -32.7 31.2 17.6 27.0 24 24 A K H > S+ 0 0 123 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.940 117.2 43.3 -78.1 -51.3 33.6 18.8 29.9 25 25 A H H X S+ 0 0 25 -4,-2.9 4,-1.8 -7,-0.3 -3,-0.2 0.857 118.4 47.9 -69.4 -35.3 32.9 22.4 30.1 26 26 A T H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.760 110.1 47.9 -75.0 -31.4 29.1 21.8 29.7 27 27 A H H X S+ 0 0 40 -4,-1.0 4,-1.9 -5,-0.4 -1,-0.2 0.944 115.8 49.5 -72.1 -37.5 28.7 19.0 32.3 28 28 A R H X S+ 0 0 81 -4,-2.2 4,-2.6 1,-0.3 -2,-0.2 0.835 103.6 57.6 -66.8 -40.2 30.9 21.3 34.8 29 29 A F H X S+ 0 0 7 -4,-1.8 4,-1.9 2,-0.2 3,-0.3 0.933 108.3 45.4 -56.2 -52.6 28.7 24.1 34.0 30 30 A F H X S+ 0 0 6 -4,-1.6 4,-2.5 1,-0.3 -2,-0.2 0.818 113.4 50.3 -63.3 -33.3 25.5 21.9 35.3 31 31 A I H X S+ 0 0 45 -4,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.923 109.7 49.4 -67.4 -40.8 27.3 20.7 38.3 32 32 A L H X S+ 0 0 3 -4,-2.6 4,-1.3 -3,-0.3 -2,-0.2 0.831 113.1 51.0 -67.7 -33.4 28.4 24.4 39.2 33 33 A V H X S+ 0 0 5 -4,-1.9 4,-2.9 2,-0.2 3,-0.3 0.936 110.1 43.5 -66.6 -50.3 24.8 25.2 38.7 34 34 A L H < S+ 0 0 37 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.747 114.3 56.9 -69.6 -23.8 23.4 22.4 41.1 35 35 A E H < S+ 0 0 123 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.812 112.1 37.7 -72.9 -34.3 26.2 23.4 43.6 36 36 A I H < S+ 0 0 68 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.923 142.0 7.7 -82.9 -45.3 25.1 26.9 43.7 37 37 A A >< - 0 0 25 -4,-2.9 3,-1.7 -5,-0.1 -1,-0.2 -0.796 60.4-177.3-142.9 86.3 21.3 25.8 43.6 38 38 A P G > S+ 0 0 94 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.846 80.6 65.4 -49.1 -40.4 20.1 22.0 43.9 39 39 A A G > S+ 0 0 80 1,-0.3 3,-1.2 2,-0.1 4,-0.2 0.732 81.4 82.4 -57.9 -24.6 16.4 22.4 43.4 40 40 A A G X S+ 0 0 7 -3,-1.7 3,-1.5 1,-0.2 4,-0.4 0.572 71.8 82.6 -58.7 -14.6 17.2 23.7 39.9 41 41 A K G X S+ 0 0 42 -3,-2.2 3,-1.7 1,-0.3 6,-0.3 0.913 77.6 61.0 -57.8 -42.1 17.3 20.0 38.9 42 42 A D G < S+ 0 0 108 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.639 95.1 71.1 -61.5 -16.6 13.5 19.4 38.4 43 43 A L G < S+ 0 0 46 -3,-1.5 2,-0.6 -4,-0.2 -1,-0.3 0.649 84.6 67.2 -72.9 -30.6 13.7 22.1 35.7 44 44 A F S X> S- 0 0 62 -3,-1.7 3,-2.5 -4,-0.4 4,-1.7 -0.897 70.5-150.0-104.3 113.9 15.5 20.3 33.1 45 45 A S T 34 S+ 0 0 55 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.746 102.7 51.6 -47.2 -39.5 13.5 17.1 31.4 46 46 A F T 34 S+ 0 0 13 1,-0.2 -1,-0.3 3,-0.1 14,-0.1 0.461 109.9 47.0 -85.2 -4.8 16.7 15.5 30.9 47 47 A L T X4 S+ 0 0 1 -3,-2.5 3,-1.2 -6,-0.3 -2,-0.2 0.678 92.9 97.1-100.1 -29.8 17.7 15.9 34.5 48 48 A K T 3< S+ 0 0 116 -4,-1.7 3,-0.1 1,-0.2 -6,-0.1 -0.422 90.1 16.0 -65.0 128.6 14.3 14.6 36.0 49 49 A G T 3 S+ 0 0 87 1,-0.5 -1,-0.2 -2,-0.2 2,-0.1 0.037 107.1 108.9 92.4 -18.6 14.0 11.0 37.1 50 50 A T < - 0 0 45 -3,-1.2 -1,-0.5 1,-0.1 3,-0.1 -0.324 60.0-156.8 -79.2 162.0 17.7 11.0 37.0 51 51 A S S S+ 0 0 119 1,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.769 77.7 24.9-104.0 -38.9 19.7 10.8 40.2 52 52 A E S S- 0 0 142 1,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.784 97.6 -84.0-114.5 165.4 23.1 12.4 38.8 53 53 A V - 0 0 10 -2,-0.2 -6,-0.1 1,-0.1 2,-0.1 -0.607 47.6-122.1 -72.8 116.3 23.9 14.8 35.9 54 54 A P - 0 0 30 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.261 19.5-158.1 -52.7 140.3 24.2 12.6 32.7 55 55 A Q S S+ 0 0 106 1,-0.1 -28,-0.1 -3,-0.1 -29,-0.1 0.827 83.6 35.2 -96.3 -29.1 27.7 13.2 31.2 56 56 A N S S+ 0 0 129 -29,-0.0 -1,-0.1 4,-0.0 3,-0.1 -0.356 74.8 131.1-125.8 48.2 27.0 12.1 27.6 57 57 A N > - 0 0 41 -3,-0.2 4,-2.3 1,-0.2 5,-0.2 -0.901 44.1-155.5-104.0 120.5 23.5 13.2 26.9 58 58 A P H > S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.742 95.7 58.7 -69.6 -26.8 23.5 15.1 23.6 59 59 A E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -2,-0.0 0.925 106.5 47.6 -64.1 -50.8 20.5 16.8 24.6 60 60 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.930 113.7 46.9 -55.8 -43.0 22.4 18.3 27.6 61 61 A Q H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.911 110.8 50.3 -67.6 -39.4 25.6 19.4 25.6 62 62 A A H X S+ 0 0 54 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.950 110.8 52.0 -65.6 -45.2 23.8 21.0 22.9 63 63 A H H X S+ 0 0 93 -4,-2.4 4,-1.2 -5,-0.2 3,-0.3 0.924 111.4 41.6 -53.1 -61.1 21.9 22.8 25.4 64 64 A A H X S+ 0 0 1 -4,-2.8 4,-1.7 1,-0.2 3,-0.5 0.955 110.7 58.3 -61.6 -37.3 24.9 24.3 27.5 65 65 A G H X S+ 0 0 13 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.849 99.3 57.3 -56.2 -41.5 27.1 25.2 24.4 66 66 A K H X S+ 0 0 145 -4,-1.6 4,-1.6 -3,-0.3 -1,-0.3 0.853 101.4 56.9 -65.0 -36.1 24.5 27.3 23.1 67 67 A V H X S+ 0 0 58 -4,-1.2 4,-1.6 -3,-0.5 -2,-0.2 0.943 107.5 45.0 -60.8 -46.1 24.5 29.4 26.3 68 68 A F H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.898 108.8 59.1 -68.1 -30.0 28.4 30.3 26.3 69 69 A K H X S+ 0 0 90 -4,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.887 100.4 54.8 -66.3 -38.9 28.2 31.2 22.6 70 70 A L H X S+ 0 0 43 -4,-1.6 4,-1.8 2,-0.2 -1,-0.3 0.877 107.0 49.7 -65.0 -35.1 25.8 33.6 23.2 71 71 A V H X S+ 0 0 3 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.938 111.2 49.0 -72.0 -33.5 28.0 35.4 25.9 72 72 A Y H X S+ 0 0 32 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.932 107.7 53.7 -63.2 -46.5 31.1 35.6 23.6 73 73 A E H X S+ 0 0 89 -4,-2.3 4,-2.1 1,-0.3 3,-0.3 0.912 104.7 55.5 -64.4 -36.7 29.2 37.0 20.8 74 74 A A H X S+ 0 0 5 -4,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.853 102.8 54.8 -58.7 -40.0 28.0 39.6 23.0 75 75 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.890 109.7 46.3 -62.9 -38.8 31.6 40.9 24.1 76 76 A I H X S+ 0 0 44 -4,-1.7 4,-2.6 -3,-0.3 5,-0.3 0.918 107.9 55.8 -73.9 -35.8 32.9 41.4 20.5 77 77 A Q H X>S+ 0 0 65 -4,-2.1 4,-2.7 1,-0.2 6,-0.7 0.927 106.5 50.9 -65.6 -40.6 29.9 43.1 19.7 78 78 A L H X5S+ 0 0 16 -4,-2.5 4,-1.1 4,-0.2 -1,-0.2 0.883 111.5 46.9 -57.0 -41.9 30.5 45.5 22.6 79 79 A E H <5S+ 0 0 59 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.944 119.8 37.0 -68.2 -43.7 34.2 46.3 21.5 80 80 A V H <5S+ 0 0 95 -4,-2.6 -2,-0.2 1,-0.1 -3,-0.2 0.861 135.8 18.3 -77.7 -44.1 33.5 46.9 17.9 81 81 A T H <5S- 0 0 81 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.586 94.4-122.0-105.9 -23.4 30.3 48.5 18.1 82 82 A G S < - 0 0 74 -2,-0.7 4,-1.8 1,-0.0 3,-0.2 -0.316 49.4 -76.3-105.7-167.4 17.5 39.6 17.6 88 88 A A H > S+ 0 0 79 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.906 128.7 53.9 -57.1 -40.8 14.6 36.7 17.0 89 89 A T H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.870 103.2 52.3 -59.3 -47.8 16.6 34.3 18.9 90 90 A L H > S+ 0 0 11 -3,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.847 112.2 48.0 -67.2 -32.2 17.0 36.5 22.0 91 91 A K H X S+ 0 0 98 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.917 106.5 52.4 -73.4 -40.5 13.3 36.9 22.1 92 92 A N H X S+ 0 0 104 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.920 107.7 60.2 -61.3 -34.0 12.2 33.2 21.7 93 93 A L H X S+ 0 0 34 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.878 94.5 56.4 -59.1 -42.6 14.6 32.7 24.5 94 94 A G H X S+ 0 0 0 -4,-1.3 4,-1.5 1,-0.2 -1,-0.3 0.912 109.5 49.6 -59.6 -36.2 12.7 34.8 26.7 95 95 A S H X S+ 0 0 54 -4,-1.5 4,-2.1 -3,-0.3 -2,-0.2 0.894 107.7 49.3 -66.1 -47.4 9.5 32.4 26.0 96 96 A V H X S+ 0 0 52 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.928 105.1 60.4 -67.9 -31.4 10.9 29.2 26.7 97 97 A H H <>S+ 0 0 55 -4,-2.2 5,-2.5 1,-0.2 -2,-0.2 0.888 106.5 46.8 -63.9 -37.0 12.4 30.5 30.0 98 98 A V H ><5S+ 0 0 46 -4,-1.5 3,-1.9 -5,-0.2 -1,-0.2 0.943 107.2 56.5 -68.9 -38.8 9.0 31.3 31.3 99 99 A S H 3<5S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.773 106.1 54.4 -53.6 -40.6 7.4 27.7 30.1 100 100 A K T 3<5S- 0 0 107 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.361 120.9-110.0 -86.7 7.0 9.9 26.0 32.1 101 101 A G T < 5 + 0 0 54 -3,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.719 60.5 161.2 75.5 21.9 9.2 27.9 35.3 102 102 A V < - 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