==== 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 2LH2 . COMPND 2 MOLECULE: LEGHEMOGLOBIN (AQUO 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) . 8205.0 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 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 86 0, 0.0 2,-0.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -36.9 36.6 49.0 31.6 2 2 A A - 0 0 84 1,-0.2 80,-0.1 5,-0.0 0, 0.0 -0.450 360.0 -84.2 98.0 -62.8 34.8 49.5 28.3 3 3 A L - 0 0 11 -2,-0.6 -1,-0.2 77,-0.0 79,-0.1 0.698 56.3-165.4 110.1 73.0 35.9 46.7 26.1 4 4 A T > - 0 0 55 -3,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.297 39.3-100.2 -78.4 166.6 39.3 47.9 24.6 5 5 A E H > S+ 0 0 157 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.870 129.2 53.3 -59.8 -32.8 40.8 46.3 21.7 6 6 A S H > S+ 0 0 66 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.863 106.1 50.5 -71.7 -39.3 42.9 44.7 24.2 7 7 A Q H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.929 110.6 49.1 -63.5 -40.3 40.0 43.3 26.4 8 8 A A H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.863 105.2 57.8 -70.1 -30.9 38.0 41.7 23.4 9 9 A A H X S+ 0 0 61 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.3 0.824 103.9 53.6 -66.5 -33.1 41.1 40.1 22.4 10 10 A L H X S+ 0 0 62 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.884 109.0 45.8 -68.7 -40.8 41.1 38.6 25.8 11 11 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.944 112.9 50.5 -67.8 -38.7 37.4 37.0 25.6 12 12 A K H X S+ 0 0 80 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.920 110.3 48.9 -66.5 -43.9 37.9 35.6 22.2 13 13 A S H X S+ 0 0 59 -4,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.877 112.5 46.9 -59.6 -49.5 40.9 34.0 23.1 14 14 A S H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.849 111.3 52.2 -67.2 -27.5 39.4 32.5 26.3 15 15 A W H X S+ 0 0 36 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.901 103.1 56.7 -76.8 -32.0 36.2 31.2 24.4 16 16 A E H X S+ 0 0 101 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.958 104.9 53.3 -65.8 -37.8 38.2 29.5 21.9 17 17 A E H >< S+ 0 0 60 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.886 108.2 49.5 -58.2 -42.6 39.7 27.7 24.8 18 18 A F H >< S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 7,-0.3 0.930 108.1 52.1 -60.6 -44.0 36.1 26.6 26.2 19 19 A N H >< S+ 0 0 76 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.716 88.4 80.4 -72.6 -15.3 34.8 25.2 22.9 20 20 A A T << S+ 0 0 85 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.591 106.2 25.7 -66.7 -13.9 37.8 23.3 22.6 21 21 A N T <> + 0 0 58 -3,-2.2 4,-2.8 -4,-0.2 3,-0.3 -0.273 64.4 163.7-151.8 62.7 36.1 20.7 25.1 22 22 A I H <> S+ 0 0 39 -3,-0.8 4,-2.9 2,-0.2 5,-0.5 0.878 74.1 51.6 -44.4 -55.8 32.3 20.7 25.2 23 23 A P H > S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.893 120.4 39.5 -62.8 -30.9 31.4 17.3 27.0 24 24 A K H > S+ 0 0 124 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.964 117.9 41.9 -75.0 -57.2 33.8 18.4 29.9 25 25 A H H X S+ 0 0 23 -4,-2.8 4,-2.1 -7,-0.3 -3,-0.2 0.795 118.1 49.6 -66.1 -33.9 33.2 22.0 30.2 26 26 A T H X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.795 110.3 46.1 -74.5 -35.4 29.3 21.4 29.8 27 27 A H H X S+ 0 0 42 -4,-1.1 4,-2.0 -5,-0.5 -2,-0.2 0.936 116.7 50.6 -71.9 -34.6 28.9 18.6 32.4 28 28 A R H X S+ 0 0 81 -4,-2.3 4,-2.5 1,-0.3 -2,-0.2 0.873 104.3 55.0 -67.3 -43.5 31.2 21.0 34.7 29 29 A F H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.903 109.6 47.0 -54.2 -51.2 29.1 23.8 34.1 30 30 A F H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.823 111.6 50.7 -67.8 -29.9 25.9 21.6 35.3 31 31 A I H X S+ 0 0 45 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.946 110.0 49.4 -68.7 -42.4 27.6 20.4 38.4 32 32 A L H X S+ 0 0 3 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.830 112.0 51.7 -63.6 -38.1 28.6 24.1 39.3 33 33 A V H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 3,-0.4 0.918 109.7 44.7 -61.7 -49.4 25.1 24.9 38.8 34 34 A L H < S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.773 113.4 55.6 -72.7 -23.3 23.7 22.1 41.1 35 35 A E H < S+ 0 0 125 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.782 110.6 40.9 -73.4 -35.3 26.4 23.1 43.7 36 36 A I H < S+ 0 0 65 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.871 141.4 6.0 -81.1 -39.6 25.4 26.6 43.8 37 37 A A >< - 0 0 28 -4,-2.5 3,-1.9 -5,-0.1 -1,-0.2 -0.738 59.8-174.8-150.7 88.0 21.6 25.5 43.8 38 38 A P G > S+ 0 0 97 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.806 82.5 65.8 -49.1 -34.9 20.4 21.7 44.0 39 39 A A G > S+ 0 0 79 1,-0.3 3,-1.1 2,-0.1 4,-0.2 0.722 80.9 82.6 -63.2 -21.8 16.7 22.2 43.5 40 40 A A G X S+ 0 0 7 -3,-1.9 3,-1.6 1,-0.2 4,-0.4 0.646 72.9 81.1 -60.5 -16.7 17.6 23.4 40.0 41 41 A K G X S+ 0 0 38 -3,-1.8 3,-1.6 1,-0.3 6,-0.2 0.886 76.8 62.5 -58.1 -41.7 17.6 19.8 38.9 42 42 A D G < S+ 0 0 109 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.610 95.5 69.8 -61.5 -15.1 13.8 19.2 38.5 43 43 A L G < S+ 0 0 45 -3,-1.6 2,-0.6 -4,-0.2 -1,-0.3 0.645 82.3 72.6 -74.7 -30.6 13.9 21.8 35.7 44 44 A F X> - 0 0 42 -3,-1.6 4,-2.7 -4,-0.4 3,-2.1 -0.844 68.2-151.1 -99.1 115.9 15.8 20.0 33.2 45 45 A S T 34 S+ 0 0 60 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.842 104.7 50.9 -51.7 -35.7 13.9 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 0.541 113.0 42.8 -83.8 -7.3 17.1 15.4 30.9 47 47 A L T X4 S+ 0 0 0 -3,-2.1 3,-1.4 -6,-0.2 -2,-0.2 0.706 92.2 100.5-100.5 -33.9 18.0 15.7 34.6 48 48 A K T 3< S+ 0 0 119 -4,-2.7 3,-0.1 1,-0.2 -6,-0.1 -0.381 91.4 12.5 -56.5 120.8 14.4 14.7 36.0 49 49 A G T 3 S+ 0 0 86 1,-0.5 -1,-0.2 -2,-0.2 2,-0.1 0.025 107.7 106.5 98.1 -21.0 14.1 11.1 37.2 50 50 A T < - 0 0 44 -3,-1.4 -1,-0.5 1,-0.1 3,-0.1 -0.230 60.5-154.7 -76.0 168.9 17.8 10.8 37.1 51 51 A S S S+ 0 0 121 1,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.737 77.3 30.5-109.9 -40.3 19.8 10.8 40.3 52 52 A E S S- 0 0 143 1,-0.0 -1,-0.4 0, 0.0 3,-0.1 -0.786 97.5 -87.7-110.5 159.2 23.3 12.2 38.9 53 53 A V - 0 0 9 -2,-0.3 -6,-0.1 1,-0.1 -22,-0.0 -0.578 48.6-122.3 -68.3 112.4 24.1 14.6 36.0 54 54 A P - 0 0 31 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.210 18.6-156.6 -53.8 143.8 24.4 12.5 32.9 55 55 A Q S S+ 0 0 107 1,-0.1 -28,-0.1 -3,-0.1 -29,-0.1 0.757 83.9 35.2-100.0 -24.4 27.8 12.9 31.3 56 56 A N S S+ 0 0 132 -29,-0.0 -1,-0.1 4,-0.0 3,-0.1 -0.358 75.4 131.8-129.0 48.6 27.0 11.9 27.7 57 57 A N > - 0 0 42 -3,-0.2 4,-2.2 1,-0.2 5,-0.1 -0.907 44.7-154.7-105.3 120.7 23.7 13.0 27.1 58 58 A P H > S+ 0 0 95 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.753 95.7 59.9 -68.3 -27.3 23.5 14.9 23.8 59 59 A E H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -2,-0.0 0.950 106.6 45.7 -63.7 -49.9 20.6 16.7 24.9 60 60 A L H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.907 114.6 48.1 -55.6 -42.3 22.7 18.2 27.8 61 61 A Q H X S+ 0 0 41 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.950 111.1 48.3 -69.6 -41.5 25.8 19.0 25.6 62 62 A A H X S+ 0 0 59 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.901 111.7 52.3 -64.1 -44.7 23.9 20.7 22.9 63 63 A H H X S+ 0 0 65 -4,-2.5 4,-1.4 -5,-0.2 3,-0.3 0.952 111.2 42.1 -53.3 -64.2 22.2 22.7 25.5 64 64 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.897 110.3 59.0 -59.6 -31.9 25.3 24.1 27.5 65 65 A G H X S+ 0 0 14 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.905 101.5 53.0 -60.5 -44.5 27.3 24.8 24.3 66 66 A K H X S+ 0 0 145 -4,-1.6 4,-1.7 -3,-0.3 -1,-0.3 0.827 103.9 58.4 -61.5 -39.3 24.7 27.1 23.0 67 67 A V H X S+ 0 0 39 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.958 108.7 41.3 -59.2 -48.4 24.9 29.0 26.3 68 68 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.863 110.5 59.8 -69.7 -28.3 28.7 30.0 26.2 69 69 A K H X S+ 0 0 85 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.905 101.5 52.2 -65.9 -43.6 28.5 30.8 22.5 70 70 A L H X S+ 0 0 36 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.854 107.3 51.5 -62.6 -38.4 26.0 33.3 23.0 71 71 A V H X S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.942 110.5 49.4 -67.5 -35.9 28.1 35.1 25.8 72 72 A Y H X S+ 0 0 30 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.926 107.4 53.0 -66.1 -42.1 31.3 35.3 23.7 73 73 A E H X S+ 0 0 88 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.869 104.1 58.8 -65.1 -33.6 29.4 36.7 20.7 74 74 A A H X S+ 0 0 2 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.884 101.5 52.9 -59.5 -41.7 28.2 39.2 23.0 75 75 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.885 110.7 47.5 -63.2 -36.2 31.8 40.5 24.0 76 76 A I H X S+ 0 0 45 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.962 107.7 52.9 -73.1 -44.7 32.8 41.1 20.4 77 77 A Q H X>S+ 0 0 68 -4,-2.4 4,-2.8 1,-0.2 5,-0.8 0.915 108.2 53.6 -59.4 -38.3 29.8 42.8 19.5 78 78 A L H X5S+ 0 0 17 -4,-2.6 4,-0.8 4,-0.2 -1,-0.2 0.887 110.9 44.2 -59.2 -40.8 30.5 45.1 22.5 79 79 A E H <5S+ 0 0 59 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.908 121.5 37.9 -72.7 -39.2 34.2 46.1 21.4 80 80 A V H <5S+ 0 0 102 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.895 136.1 17.2 -75.7 -50.7 33.3 46.6 17.8 81 81 A T H <5S- 0 0 79 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.603 93.4-123.2-101.5 -29.2 30.1 48.1 18.0 82 82 A G S < - 0 0 75 -2,-0.6 4,-2.2 1,-0.0 3,-0.2 -0.502 49.0 -77.5-115.4-170.4 17.3 39.1 17.7 88 88 A A H > S+ 0 0 79 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.899 126.9 53.2 -55.0 -41.7 14.6 36.2 17.0 89 89 A T H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.881 106.1 48.5 -63.2 -44.2 16.6 33.8 18.7 90 90 A L H > S+ 0 0 8 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 111.5 53.8 -68.1 -34.8 17.0 35.7 22.0 91 91 A K H X S+ 0 0 107 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.882 107.7 46.8 -62.3 -39.8 13.3 36.3 21.9 92 92 A N H X S+ 0 0 100 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.906 108.7 60.0 -73.1 -31.9 12.4 32.5 21.6 93 93 A L H X S+ 0 0 38 -4,-2.4 4,-2.1 1,-0.3 -2,-0.2 0.898 96.9 55.6 -60.4 -43.2 14.9 32.0 24.4 94 94 A G H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.3 0.897 109.8 50.0 -56.8 -38.9 13.0 34.1 26.6 95 95 A S H X S+ 0 0 52 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.920 106.9 49.6 -65.3 -50.0 9.7 31.7 25.9 96 96 A V H X S+ 0 0 56 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.894 106.9 58.6 -65.8 -29.0 11.1 28.5 26.5 97 97 A H H <>S+ 0 0 52 -4,-2.1 5,-2.4 1,-0.2 3,-0.5 0.918 106.5 47.3 -64.5 -44.1 12.6 29.7 29.8 98 98 A V H ><5S+ 0 0 48 -4,-1.6 3,-2.1 1,-0.2 -1,-0.2 0.949 107.6 55.5 -62.7 -41.8 9.3 30.6 31.1 99 99 A S H 3<5S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.736 107.5 54.3 -59.0 -28.0 7.6 27.2 30.0 100 100 A K T 3<5S- 0 0 119 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.377 120.2-107.9 -94.7 3.8 10.1 25.5 32.0 101 101 A G T < 5 + 0 0 52 -3,-2.1 2,-0.2 -4,-0.3 -3,-0.2 0.724 62.7 155.5 78.4 26.5 9.6 27.3 35.2 102 102 A V < - 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