==== 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 2LH5 . COMPND 2 MOLECULE: LEGHEMOGLOBIN (FLUORO 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) . 8204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 76.5 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 . 16 10.5 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 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 81 0, 0.0 2,-0.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -25.2 36.7 48.8 31.5 2 2 A A - 0 0 88 1,-0.2 80,-0.1 5,-0.1 131,-0.0 -0.280 360.0 -80.3 87.4 -54.7 34.7 49.4 28.4 3 3 A L - 0 0 12 -2,-0.8 -1,-0.2 77,-0.0 2,-0.1 0.757 57.1-165.0 107.8 73.0 35.9 46.7 26.1 4 4 A T > - 0 0 58 -3,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.316 38.5-102.7 -77.5 163.0 39.3 47.8 24.6 5 5 A E H > S+ 0 0 154 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.857 128.2 52.9 -60.9 -29.3 40.8 46.2 21.7 6 6 A S H > S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.852 105.7 50.6 -74.5 -38.4 42.9 44.6 24.1 7 7 A Q H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.916 111.0 49.9 -63.8 -38.1 40.0 43.2 26.4 8 8 A A H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.879 104.6 57.4 -68.8 -34.8 38.1 41.7 23.4 9 9 A A H X S+ 0 0 61 -4,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.854 104.5 53.1 -64.4 -36.0 41.1 40.0 22.3 10 10 A L H X S+ 0 0 64 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.847 108.6 46.9 -66.2 -40.3 41.2 38.5 25.8 11 11 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.925 112.3 50.8 -69.2 -36.2 37.5 37.0 25.6 12 12 A K H X S+ 0 0 78 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.924 109.6 49.3 -67.9 -43.4 37.9 35.5 22.2 13 13 A S H X S+ 0 0 60 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.882 112.4 47.1 -60.3 -48.2 41.0 33.9 23.1 14 14 A S H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.849 110.6 52.3 -67.8 -28.1 39.4 32.4 26.3 15 15 A W H X S+ 0 0 36 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.908 104.0 56.5 -76.2 -30.8 36.2 31.1 24.4 16 16 A E H X S+ 0 0 98 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.962 104.5 52.7 -67.3 -38.7 38.2 29.4 22.0 17 17 A E H < S+ 0 0 59 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.885 108.8 50.5 -57.2 -40.4 39.7 27.7 24.8 18 18 A F H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 7,-0.3 0.938 107.8 50.6 -62.1 -46.0 36.1 26.6 26.1 19 19 A N H >< S+ 0 0 76 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.705 89.3 81.4 -70.6 -15.7 34.9 25.1 22.8 20 20 A A T 3< S+ 0 0 85 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.610 106.1 24.4 -65.9 -15.9 37.9 23.2 22.7 21 21 A N T <> + 0 0 57 -3,-2.2 4,-2.8 -4,-0.2 3,-0.3 -0.292 64.9 164.2-150.5 61.8 36.2 20.7 25.2 22 22 A I H <> S+ 0 0 38 -3,-0.8 4,-3.0 2,-0.2 5,-0.5 0.876 74.4 51.6 -42.5 -58.9 32.4 20.6 25.2 23 23 A P H > S+ 0 0 60 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.883 120.7 39.6 -58.2 -33.7 31.5 17.2 27.0 24 24 A K H > S+ 0 0 121 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.946 118.2 41.4 -74.4 -55.5 33.9 18.4 29.9 25 25 A H H X S+ 0 0 23 -4,-2.8 4,-2.3 -7,-0.3 -3,-0.2 0.842 118.1 49.5 -68.4 -35.3 33.2 22.0 30.2 26 26 A T H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.830 110.3 46.6 -72.9 -35.2 29.4 21.4 29.8 27 27 A H H X S+ 0 0 42 -4,-1.2 4,-2.0 -5,-0.5 -2,-0.2 0.947 116.4 50.3 -71.0 -35.6 29.0 18.6 32.4 28 28 A R H X S+ 0 0 81 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.865 104.8 54.3 -66.4 -44.0 31.2 21.0 34.7 29 29 A F H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 3,-0.4 0.931 109.6 48.0 -55.4 -51.3 29.1 23.8 34.1 30 30 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.3 -2,-0.2 0.817 111.4 50.4 -63.7 -30.6 25.9 21.6 35.3 31 31 A I H X S+ 0 0 45 -4,-2.0 4,-2.0 2,-0.2 -1,-0.3 0.905 109.1 50.5 -70.6 -39.5 27.6 20.4 38.3 32 32 A L H X S+ 0 0 3 -4,-2.2 4,-1.5 -3,-0.4 -2,-0.2 0.851 111.3 51.6 -67.6 -34.9 28.6 24.1 39.3 33 33 A V H X S+ 0 0 4 -4,-2.0 4,-2.9 2,-0.2 3,-0.4 0.945 109.3 45.3 -62.2 -51.4 25.1 24.9 38.8 34 34 A L H < S+ 0 0 36 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.763 114.0 55.2 -69.6 -22.0 23.7 22.0 41.1 35 35 A E H < S+ 0 0 121 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.808 111.5 39.3 -75.6 -36.6 26.4 23.2 43.7 36 36 A I H < S+ 0 0 65 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.908 141.8 8.1 -79.7 -40.3 25.4 26.6 43.8 37 37 A A >< - 0 0 27 -4,-2.9 3,-1.9 -5,-0.1 -1,-0.2 -0.774 59.4-176.5-146.8 87.9 21.6 25.4 43.7 38 38 A P G > S+ 0 0 97 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.816 82.2 66.1 -48.6 -35.7 20.5 21.6 44.0 39 39 A A G > S+ 0 0 80 1,-0.3 3,-1.0 2,-0.1 4,-0.2 0.713 80.6 82.4 -63.0 -22.3 16.8 22.2 43.5 40 40 A A G X S+ 0 0 6 -3,-1.9 3,-1.5 1,-0.2 4,-0.4 0.622 72.1 81.5 -59.4 -18.3 17.6 23.3 39.9 41 41 A K G X S+ 0 0 39 -3,-1.8 3,-1.7 1,-0.3 6,-0.3 0.894 77.0 62.1 -58.9 -41.6 17.7 19.7 38.9 42 42 A D G < S+ 0 0 109 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.638 96.5 69.0 -58.8 -19.2 13.8 19.0 38.5 43 43 A L G < S+ 0 0 48 -3,-1.5 2,-0.6 -4,-0.2 -1,-0.3 0.664 83.2 72.0 -72.1 -32.3 14.0 21.7 35.7 44 44 A F X> - 0 0 44 -3,-1.7 4,-2.4 -4,-0.4 3,-2.3 -0.827 69.3-150.7 -98.3 117.6 15.9 19.9 33.2 45 45 A S T 34 S+ 0 0 61 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.841 103.5 51.2 -53.3 -35.9 14.0 16.9 31.3 46 46 A F T 34 S+ 0 0 18 1,-0.2 -1,-0.3 -3,-0.1 14,-0.1 0.435 112.1 44.1 -84.5 -3.3 17.2 15.3 30.9 47 47 A L T X4 S+ 0 0 0 -3,-2.3 3,-1.3 -6,-0.3 -2,-0.2 0.648 91.8 100.6-105.0 -30.4 18.0 15.6 34.6 48 48 A K T 3< S+ 0 0 121 -4,-2.4 3,-0.1 1,-0.2 -6,-0.1 -0.405 90.1 13.6 -58.4 124.4 14.5 14.5 36.0 49 49 A G T 3 S+ 0 0 85 1,-0.5 -1,-0.2 -2,-0.2 2,-0.1 0.077 108.6 105.2 93.9 -16.0 14.1 10.9 37.2 50 50 A T < - 0 0 49 -3,-1.3 -1,-0.5 1,-0.1 3,-0.1 -0.213 60.6-155.3 -79.2 175.4 17.9 10.7 37.2 51 51 A S S S+ 0 0 116 1,-0.4 2,-0.2 -3,-0.1 -1,-0.1 0.683 77.3 32.7-113.7 -48.2 20.0 10.8 40.3 52 52 A E S S- 0 0 144 1,-0.0 -1,-0.4 0, 0.0 3,-0.1 -0.756 97.5 -89.0-105.0 155.1 23.4 12.1 38.9 53 53 A V - 0 0 12 -2,-0.2 -6,-0.1 1,-0.1 -22,-0.0 -0.561 49.0-119.4 -66.1 113.2 24.1 14.6 36.1 54 54 A P - 0 0 30 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.130 20.6-158.3 -52.7 142.8 24.4 12.5 32.9 55 55 A Q S S+ 0 0 105 1,-0.1 -28,-0.1 -3,-0.1 -29,-0.1 0.781 83.3 34.3-101.2 -25.9 27.8 12.8 31.3 56 56 A N S S+ 0 0 133 -29,-0.0 -1,-0.1 4,-0.0 3,-0.1 -0.337 76.2 132.5-128.8 48.6 27.1 11.7 27.7 57 57 A N > - 0 0 41 -3,-0.2 4,-2.2 1,-0.2 5,-0.1 -0.894 43.6-156.5-103.7 120.2 23.7 13.0 27.1 58 58 A P H > S+ 0 0 93 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.738 94.9 59.2 -69.5 -26.9 23.5 14.8 23.8 59 59 A E H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 -2,-0.0 0.949 106.9 46.6 -65.4 -49.7 20.7 16.7 24.9 60 60 A L H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.904 114.3 47.4 -54.0 -44.4 22.7 18.1 27.8 61 61 A Q H X S+ 0 0 40 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.917 110.8 49.1 -69.8 -38.9 25.8 19.0 25.7 62 62 A A H X S+ 0 0 60 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.914 111.4 51.6 -67.9 -42.9 24.0 20.7 23.0 63 63 A H H X S+ 0 0 67 -4,-2.5 4,-1.5 -5,-0.2 3,-0.4 0.952 111.8 42.8 -53.8 -62.3 22.2 22.6 25.4 64 64 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.898 110.1 58.3 -61.1 -30.7 25.3 24.0 27.5 65 65 A G H X S+ 0 0 13 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.900 102.2 53.2 -62.6 -41.5 27.3 24.8 24.3 66 66 A K H X S+ 0 0 145 -4,-1.6 4,-1.7 -3,-0.4 -1,-0.3 0.839 103.1 59.0 -63.9 -39.6 24.8 27.0 23.1 67 67 A V H X S+ 0 0 38 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.960 108.8 41.2 -54.9 -50.9 24.9 28.9 26.4 68 68 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.877 110.1 58.5 -69.3 -31.8 28.7 29.9 26.2 69 69 A K H X S+ 0 0 86 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.891 102.7 53.5 -66.6 -37.5 28.6 30.7 22.5 70 70 A L H X S+ 0 0 37 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.905 106.3 51.1 -65.0 -42.1 26.1 33.1 23.1 71 71 A V H X S+ 0 0 4 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.933 111.4 48.8 -62.7 -34.8 28.2 35.0 25.9 72 72 A Y H X S+ 0 0 32 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.923 106.9 53.4 -69.9 -40.5 31.3 35.3 23.7 73 73 A E H X S+ 0 0 92 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.886 104.5 58.0 -64.9 -34.7 29.4 36.6 20.7 74 74 A A H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.875 102.2 52.6 -58.3 -42.8 28.1 39.2 23.0 75 75 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.879 110.8 47.0 -64.7 -34.7 31.7 40.5 24.0 76 76 A I H X S+ 0 0 47 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.948 107.8 54.2 -75.4 -40.2 32.9 41.0 20.4 77 77 A Q H X>S+ 0 0 67 -4,-2.4 4,-3.0 1,-0.2 5,-0.8 0.931 107.4 52.9 -61.1 -40.2 29.8 42.7 19.6 78 78 A L H X5S+ 0 0 16 -4,-2.7 4,-1.0 4,-0.2 -1,-0.2 0.898 111.0 44.8 -57.0 -42.7 30.6 45.1 22.6 79 79 A E H <5S+ 0 0 58 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.914 121.3 37.8 -72.3 -38.0 34.2 46.0 21.4 80 80 A V H <5S+ 0 0 99 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.860 135.3 17.5 -75.5 -49.8 33.3 46.5 17.8 81 81 A T H <5S- 0 0 79 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.632 93.5-121.7-103.1 -30.3 30.1 48.1 18.0 82 82 A G S < - 0 0 74 -2,-0.6 4,-2.0 1,-0.0 3,-0.2 -0.460 48.3 -78.1-114.0-170.3 17.4 39.0 17.7 88 88 A A H > S+ 0 0 78 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.874 126.9 53.7 -58.0 -36.7 14.6 36.1 17.0 89 89 A T H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.900 104.7 49.9 -65.7 -44.3 16.6 33.7 18.8 90 90 A L H > S+ 0 0 11 1,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.864 111.4 52.7 -69.1 -30.5 17.0 35.7 22.0 91 91 A K H X S+ 0 0 106 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.915 107.6 47.2 -68.0 -40.6 13.3 36.2 21.9 92 92 A N H X S+ 0 0 105 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.888 109.0 61.0 -70.3 -29.3 12.4 32.4 21.6 93 93 A L H X S+ 0 0 39 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.890 96.3 54.4 -62.3 -42.9 14.8 31.9 24.3 94 94 A G H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.924 109.5 51.5 -57.9 -40.6 13.0 34.0 26.6 95 95 A S H X S+ 0 0 53 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.916 106.3 50.0 -61.5 -49.4 9.7 31.7 25.9 96 96 A V H X S+ 0 0 54 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.893 106.7 56.8 -65.4 -32.8 11.1 28.4 26.5 97 97 A H H <>S+ 0 0 52 -4,-1.9 5,-2.6 1,-0.2 4,-0.3 0.904 107.0 48.7 -64.0 -43.0 12.6 29.6 29.9 98 98 A V H ><5S+ 0 0 47 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.953 108.2 53.6 -62.8 -40.6 9.3 30.6 31.1 99 99 A S H 3<5S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.781 108.1 54.5 -58.9 -32.9 7.6 27.1 30.1 100 100 A K T 3<5S- 0 0 118 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.390 121.0-107.9 -90.3 3.6 10.1 25.4 31.9 101 101 A G T < 5 + 0 0 52 -3,-2.0 2,-0.3 -4,-0.3 -3,-0.2 0.705 62.8 155.3 78.9 25.4 9.6 27.2 35.2 102 102 A V < - 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