==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 14-SEP-94 2GDM . COMPND 2 MOLECULE: LEGHEMOGLOBIN (OXY); . SOURCE 2 ORGANISM_SCIENTIFIC: LUPINUS LUTEUS; . AUTHOR E.H.HARUTYUNYAN,T.N.SAFONOVA,I.P.KURANOVA,A.N.POPOV, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 77.8 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 . 2 1.3 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 0 0 0 0 0 0 0 0 1 0 0 2 1 0 0 0 0 0 0 0 2 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 G 0 0 97 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -85.4 48.5 -31.1 48.9 2 2 A A + 0 0 53 130,-0.0 131,-0.0 2,-0.0 0, 0.0 0.659 360.0 165.4 -58.3-142.4 51.6 -28.9 48.4 3 3 A L - 0 0 13 76,-0.0 2,-0.2 79,-0.0 79,-0.1 0.818 25.1-178.7 88.7 95.9 52.3 -26.3 45.8 4 4 A T > - 0 0 66 1,-0.0 4,-2.1 0, 0.0 5,-0.1 -0.251 46.9 -94.4 -75.1 175.3 55.2 -24.6 47.4 5 5 A E H > S+ 0 0 149 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.891 128.4 51.3 -75.7 -30.7 56.7 -21.7 45.6 6 6 A S H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.852 108.3 52.2 -76.4 -30.8 59.3 -24.0 44.0 7 7 A Q H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.934 111.4 46.5 -63.9 -46.5 56.5 -26.3 42.8 8 8 A A H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 3,-0.5 0.944 109.6 54.5 -58.2 -49.1 54.7 -23.3 41.2 9 9 A A H X S+ 0 0 58 -4,-2.3 4,-2.4 1,-0.3 -1,-0.2 0.873 108.8 49.7 -53.1 -38.4 58.0 -22.1 39.6 10 10 A L H X S+ 0 0 61 -4,-1.8 4,-2.3 2,-0.2 -1,-0.3 0.847 108.5 50.2 -70.3 -41.1 58.4 -25.6 38.0 11 11 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 -3,-0.5 -2,-0.2 0.951 113.8 48.1 -62.1 -45.5 54.9 -25.7 36.6 12 12 A K H X S+ 0 0 84 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.846 111.8 48.2 -62.2 -41.0 55.6 -22.2 35.2 13 13 A S H X S+ 0 0 65 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.926 114.3 45.8 -63.0 -46.3 58.9 -23.2 33.7 14 14 A S H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.875 110.0 54.4 -68.9 -34.8 57.5 -26.3 32.1 15 15 A W H X S+ 0 0 25 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.912 106.5 52.0 -68.2 -41.1 54.5 -24.4 30.7 16 16 A E H X S+ 0 0 90 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.895 110.4 48.4 -57.5 -45.3 56.8 -21.9 29.0 17 17 A E H >< S+ 0 0 59 -4,-1.8 3,-0.9 2,-0.2 4,-0.3 0.939 111.1 50.3 -61.7 -40.7 58.7 -24.7 27.4 18 18 A F H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.3 7,-0.3 0.918 110.4 50.5 -60.1 -49.2 55.4 -26.3 26.3 19 19 A N H >< S+ 0 0 74 -4,-2.6 3,-0.6 1,-0.3 -1,-0.3 0.564 92.9 74.6 -70.8 -13.8 54.3 -22.9 24.8 20 20 A A T << S+ 0 0 84 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.545 110.4 27.9 -71.9 -24.3 57.5 -22.5 22.9 21 21 A N T <> + 0 0 63 -3,-1.5 4,-2.6 -4,-0.3 5,-0.3 -0.351 68.7 160.8-140.9 75.4 56.3 -25.2 20.4 22 22 A I H <> S+ 0 0 34 -3,-0.6 4,-2.4 1,-0.2 5,-0.4 0.863 74.7 53.4 -61.9 -50.0 52.5 -25.1 20.3 23 23 A P H > S+ 0 0 51 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.935 116.5 39.5 -56.8 -42.5 52.2 -26.9 16.9 24 24 A K H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.961 119.7 41.5 -67.9 -61.0 54.4 -29.8 18.1 25 25 A H H X S+ 0 0 23 -4,-2.6 4,-2.4 -7,-0.3 -3,-0.2 0.806 113.1 51.8 -65.4 -28.2 53.2 -30.3 21.7 26 26 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.875 111.6 47.7 -76.8 -36.2 49.4 -29.8 21.1 27 27 A H H X S+ 0 0 35 -4,-1.2 4,-2.0 -5,-0.4 -2,-0.2 0.910 112.1 50.2 -62.5 -48.9 49.5 -32.4 18.4 28 28 A R H X S+ 0 0 75 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.913 107.2 54.9 -56.2 -50.2 51.5 -34.7 20.7 29 29 A F H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.918 109.4 46.1 -48.7 -53.9 48.9 -34.1 23.5 30 30 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.856 108.7 55.7 -63.0 -34.2 45.9 -35.3 21.3 31 31 A I H X S+ 0 0 41 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.909 110.2 46.8 -58.0 -47.3 47.9 -38.3 20.0 32 32 A L H X S+ 0 0 4 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.871 107.4 56.5 -68.7 -34.9 48.3 -39.4 23.8 33 33 A V H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.900 110.9 43.9 -58.0 -52.8 44.6 -38.8 24.6 34 34 A L H < S+ 0 0 33 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.671 108.4 57.1 -69.3 -26.5 43.6 -41.2 21.8 35 35 A E H < S+ 0 0 136 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.900 113.6 41.2 -69.0 -32.5 46.2 -43.8 22.8 36 36 A I H < S+ 0 0 72 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.866 138.7 7.8 -76.4 -42.6 44.7 -43.8 26.3 37 37 A A >< - 0 0 26 -4,-2.1 3,-2.3 -5,-0.2 4,-0.3 -0.624 60.3-176.1-145.2 86.7 41.1 -43.7 25.2 38 38 A P G > S+ 0 0 94 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.791 83.5 66.3 -53.6 -33.9 40.5 -44.1 21.4 39 39 A A G > S+ 0 0 82 1,-0.2 3,-0.8 2,-0.1 4,-0.1 0.689 84.1 74.4 -63.2 -20.0 36.7 -43.6 22.0 40 40 A A G X S+ 0 0 7 -3,-2.3 3,-2.3 1,-0.2 4,-0.4 0.695 73.1 85.1 -65.8 -21.5 37.4 -39.9 23.1 41 41 A K G X S+ 0 0 52 -3,-1.3 3,-1.9 -4,-0.3 7,-0.4 0.921 81.1 62.2 -44.8 -44.3 38.0 -39.0 19.4 42 42 A D G < S+ 0 0 106 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.582 92.3 62.6 -66.2 -18.9 34.4 -38.5 18.9 43 43 A L G < S+ 0 0 45 -3,-2.3 2,-0.6 -4,-0.1 -1,-0.3 0.640 89.4 76.8 -78.0 -19.6 34.0 -35.7 21.4 44 44 A F X> - 0 0 36 -3,-1.9 4,-2.7 -4,-0.4 3,-2.5 -0.902 65.8-154.5-104.7 116.6 36.3 -33.2 19.6 45 45 A S T 34 S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.803 95.6 53.9 -55.1 -39.9 35.0 -31.5 16.5 46 46 A F T 34 S+ 0 0 16 1,-0.2 -1,-0.3 3,-0.0 14,-0.1 0.433 117.5 37.1 -78.4 -6.7 38.4 -30.9 14.9 47 47 A L T X4 S+ 0 0 0 -3,-2.5 3,-3.3 -6,-0.3 -2,-0.2 0.702 85.7 104.4-104.9 -51.1 39.2 -34.7 15.2 48 48 A K T 3< S+ 0 0 107 -4,-2.7 3,-0.1 -7,-0.4 -6,-0.1 -0.107 93.6 15.2 -36.6 130.9 35.9 -36.4 14.4 49 49 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.306 98.4 122.4 80.8 -8.0 36.2 -37.8 10.9 50 50 A T < - 0 0 43 -3,-3.3 -1,-0.2 1,-0.1 3,-0.1 -0.404 55.9-147.1 -83.5 164.5 40.0 -37.5 10.6 51 51 A S S S+ 0 0 114 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.896 86.3 12.2 -90.6 -49.6 42.4 -40.3 9.8 52 52 A E S S- 0 0 136 -5,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.791 97.5 -84.8-123.7 162.2 45.2 -38.9 11.8 53 53 A V - 0 0 6 -2,-0.3 -6,-0.1 -3,-0.1 -22,-0.1 -0.613 56.8-111.9 -66.6 124.5 45.4 -36.1 14.4 54 54 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.168 23.5-157.9 -59.4 143.3 45.9 -32.9 12.3 55 55 A Q S S+ 0 0 99 1,-0.1 -28,-0.2 -3,-0.1 -29,-0.1 0.734 85.3 34.1 -96.3 -26.5 49.3 -31.3 12.7 56 56 A N S S+ 0 0 139 -29,-0.0 -1,-0.1 4,-0.0 -32,-0.0 -0.249 78.5 133.7-129.9 48.5 48.6 -27.7 11.6 57 57 A N > - 0 0 41 -3,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.868 41.6-158.0-101.6 117.7 45.0 -27.1 12.8 58 58 A P H > S+ 0 0 98 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.740 92.6 54.6 -68.5 -28.0 44.5 -23.8 14.6 59 59 A E H > S+ 0 0 113 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.944 111.1 44.8 -69.7 -50.9 41.3 -25.0 16.4 60 60 A L H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.919 115.7 49.1 -54.9 -52.9 43.2 -28.0 17.8 61 61 A Q H X S+ 0 0 37 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.913 112.7 44.7 -57.0 -51.7 46.1 -25.7 18.7 62 62 A A H X S+ 0 0 57 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.848 114.1 51.7 -61.6 -38.6 44.1 -23.0 20.4 63 63 A H H X S+ 0 0 67 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.984 114.6 38.8 -62.5 -60.6 42.0 -25.6 22.4 64 64 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.886 113.1 57.5 -60.7 -37.9 44.9 -27.6 23.8 65 65 A G H X S+ 0 0 14 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.944 108.7 47.4 -56.2 -49.0 46.9 -24.3 24.5 66 66 A K H X S+ 0 0 140 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.859 108.8 54.7 -60.2 -41.1 44.0 -23.1 26.6 67 67 A V H X S+ 0 0 35 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.951 111.6 42.8 -59.7 -51.7 43.8 -26.4 28.5 68 68 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.880 112.9 53.0 -64.0 -42.2 47.5 -26.2 29.5 69 69 A K H X S+ 0 0 90 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.850 107.7 50.7 -65.8 -36.5 47.3 -22.5 30.4 70 70 A L H X S+ 0 0 50 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.903 110.7 48.7 -69.8 -38.2 44.3 -23.0 32.8 71 71 A V H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.893 113.8 46.9 -68.6 -43.6 46.1 -25.8 34.6 72 72 A Y H X S+ 0 0 29 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.892 112.4 49.5 -59.6 -42.4 49.2 -23.7 34.9 73 73 A E H X S+ 0 0 91 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.888 108.2 54.4 -68.9 -34.3 47.2 -20.7 36.1 74 74 A A H X S+ 0 0 5 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.882 104.9 54.9 -61.5 -41.7 45.5 -23.0 38.6 75 75 A A H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.888 109.7 45.4 -56.6 -50.3 48.9 -24.0 39.9 76 76 A I H X S+ 0 0 52 -4,-1.8 4,-2.7 2,-0.2 3,-0.3 0.910 112.0 51.4 -65.1 -44.3 49.9 -20.3 40.5 77 77 A Q H X>S+ 0 0 65 -4,-2.3 4,-2.9 1,-0.2 5,-0.7 0.901 109.6 49.6 -64.2 -36.1 46.6 -19.5 42.2 78 78 A L H X5S+ 0 0 22 -4,-2.5 4,-0.7 4,-0.2 -1,-0.2 0.848 113.4 48.6 -66.0 -32.0 46.8 -22.5 44.6 79 79 A E H <5S+ 0 0 60 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.912 120.1 34.0 -79.5 -41.7 50.3 -21.4 45.4 80 80 A V H <5S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.1 -3,-0.2 0.889 136.4 17.9 -75.4 -39.2 49.4 -17.7 46.1 81 81 A T H <5S- 0 0 77 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.1 0.512 94.1-121.6-110.6 -26.9 45.9 -18.0 47.6 82 82 A G S < - 0 0 73 -2,-0.9 4,-1.7 1,-0.0 3,-0.3 -0.243 54.9 -87.3-106.8-169.1 34.6 -17.7 38.7 88 88 A A H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.894 123.5 61.7 -71.2 -33.1 32.2 -17.2 35.8 89 89 A T H > S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.834 107.8 40.5 -59.2 -39.8 34.8 -18.6 33.4 90 90 A L H > S+ 0 0 10 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.717 112.2 57.1 -81.4 -26.3 34.8 -22.0 35.1 91 91 A K H X S+ 0 0 102 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.917 108.3 47.1 -64.8 -44.4 31.1 -21.9 35.6 92 92 A N H X S+ 0 0 106 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.897 109.9 53.7 -64.5 -41.1 30.8 -21.5 31.8 93 93 A L H X S+ 0 0 38 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.814 104.3 56.1 -65.4 -33.1 33.3 -24.4 31.4 94 94 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.926 111.2 42.7 -61.5 -45.3 31.1 -26.6 33.6 95 95 A S H X S+ 0 0 47 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.956 112.9 52.8 -67.0 -48.7 28.1 -25.9 31.2 96 96 A V H X S+ 0 0 56 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.810 109.7 48.2 -44.6 -54.9 30.2 -26.4 28.0 97 97 A H H ><>S+ 0 0 51 -4,-1.9 5,-2.5 2,-0.2 3,-0.7 0.922 110.2 50.3 -65.5 -40.8 31.5 -29.8 29.2 98 98 A V H ><5S+ 0 0 53 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.928 110.2 53.4 -59.2 -43.9 28.1 -31.1 30.1 99 99 A S H 3<5S+ 0 0 100 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.693 107.3 48.7 -57.2 -38.2 26.9 -30.0 26.7 100 100 A K T <<5S- 0 0 136 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.207 121.4-104.1 -90.1 8.2 29.6 -31.9 24.8 101 101 A G T < 5 + 0 0 49 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.706 65.0 156.7 72.6 35.6 28.9 -35.1 26.7 102 102 A V < - 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