==== 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 2LH3 . COMPND 2 MOLECULE: LEGHEMOGLOBIN (CYANO 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) . 8168.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 78.4 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 . 18 11.8 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 78 0, 0.0 2,-0.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -25.4 36.8 48.8 31.5 2 2 A A - 0 0 82 1,-0.2 80,-0.1 5,-0.1 131,-0.0 -0.263 360.0 -82.0 86.6 -54.4 34.8 49.4 28.3 3 3 A L - 0 0 12 -2,-0.7 -1,-0.2 77,-0.0 2,-0.1 0.783 56.6-165.1 102.9 77.2 36.0 46.7 26.1 4 4 A T > - 0 0 58 -3,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.331 40.3 -99.8 -78.3 164.6 39.4 48.0 24.6 5 5 A E H > S+ 0 0 155 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.861 130.0 53.9 -59.6 -30.7 40.8 46.3 21.7 6 6 A S H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.894 105.6 49.8 -71.0 -42.8 43.0 44.7 24.2 7 7 A Q H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.902 111.5 49.8 -61.8 -36.2 40.0 43.4 26.4 8 8 A A H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.890 105.0 56.8 -70.8 -35.4 38.2 41.8 23.4 9 9 A A H X S+ 0 0 60 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.881 105.1 52.6 -63.1 -38.3 41.2 40.2 22.4 10 10 A L H X S+ 0 0 63 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.882 109.2 47.2 -65.1 -39.6 41.2 38.7 25.8 11 11 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.942 112.2 50.4 -69.0 -36.9 37.5 37.2 25.6 12 12 A K H X S+ 0 0 81 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.929 109.5 50.1 -66.7 -45.5 38.0 35.7 22.1 13 13 A S H X S+ 0 0 59 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.885 112.0 46.3 -57.7 -50.1 41.0 34.1 23.1 14 14 A S H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.843 110.5 54.0 -66.8 -26.8 39.4 32.5 26.3 15 15 A W H X S+ 0 0 36 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.911 103.5 55.0 -75.6 -32.0 36.2 31.3 24.4 16 16 A E H X S+ 0 0 99 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.953 104.5 54.7 -67.5 -38.4 38.2 29.6 21.9 17 17 A E H >< S+ 0 0 62 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.873 107.8 49.4 -56.0 -41.4 39.7 27.9 24.9 18 18 A F H >< S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 7,-0.3 0.923 107.5 52.5 -62.6 -43.8 36.1 26.7 26.1 19 19 A N H >< S+ 0 0 77 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.675 88.9 79.8 -73.1 -12.9 34.9 25.3 22.8 20 20 A A T << S+ 0 0 85 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.635 106.1 25.8 -69.2 -17.1 37.9 23.3 22.7 21 21 A N T <> + 0 0 57 -3,-2.2 4,-3.0 -4,-0.2 3,-0.4 -0.297 64.2 162.2-148.1 62.3 36.2 20.8 25.2 22 22 A I H <> S+ 0 0 40 -3,-0.7 4,-2.9 2,-0.2 5,-0.5 0.878 74.4 51.9 -43.5 -58.1 32.4 20.7 25.2 23 23 A P H > S+ 0 0 61 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.885 121.4 38.0 -58.4 -32.6 31.5 17.3 27.0 24 24 A K H > S+ 0 0 122 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.959 118.6 42.0 -77.6 -56.8 33.8 18.5 29.9 25 25 A H H X S+ 0 0 24 -4,-3.0 4,-2.0 -7,-0.3 -3,-0.2 0.799 117.7 50.3 -66.8 -32.8 33.2 22.1 30.2 26 26 A T H X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.830 110.1 45.6 -75.2 -35.2 29.4 21.5 29.7 27 27 A H H X S+ 0 0 43 -4,-1.1 4,-1.9 -5,-0.5 -2,-0.2 0.941 116.2 51.9 -70.9 -36.4 28.9 18.8 32.3 28 28 A R H X S+ 0 0 81 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.873 103.5 54.6 -66.1 -42.4 31.1 21.1 34.7 29 29 A F H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.920 109.6 47.4 -54.9 -52.8 29.0 23.9 34.1 30 30 A F H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.781 112.0 50.6 -64.6 -27.4 25.8 21.7 35.3 31 31 A I H X S+ 0 0 45 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.940 109.0 49.9 -73.3 -40.5 27.6 20.5 38.3 32 32 A L H X S+ 0 0 6 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.830 112.3 51.6 -66.4 -33.4 28.6 24.2 39.2 33 33 A V H >X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 3,-0.6 0.942 108.8 44.9 -63.6 -53.2 25.0 25.0 38.7 34 34 A L H 3< S+ 0 0 35 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.780 113.3 57.7 -67.9 -21.3 23.6 22.2 41.1 35 35 A E H 3< S+ 0 0 123 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.782 110.0 38.9 -73.1 -35.5 26.4 23.3 43.6 36 36 A I H << S+ 0 0 73 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.871 141.7 7.4 -84.8 -37.1 25.3 26.8 43.8 37 37 A A >< - 0 0 27 -4,-2.6 3,-2.0 -5,-0.1 -1,-0.2 -0.735 58.5-175.2-151.4 88.8 21.5 25.5 43.7 38 38 A P G > S+ 0 0 96 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.826 82.2 67.0 -46.9 -38.6 20.4 21.7 44.0 39 39 A A G > S+ 0 0 80 1,-0.3 3,-0.9 2,-0.1 4,-0.2 0.687 80.5 82.0 -59.4 -22.5 16.7 22.3 43.5 40 40 A A G X S+ 0 0 7 -3,-2.0 3,-1.3 1,-0.2 4,-0.5 0.574 71.9 81.8 -61.9 -15.8 17.5 23.4 39.9 41 41 A K G X S+ 0 0 38 -3,-1.9 3,-1.4 1,-0.3 6,-0.3 0.895 77.4 61.9 -60.1 -41.5 17.6 19.8 38.8 42 42 A D G < S+ 0 0 109 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.639 96.9 68.8 -58.8 -19.6 13.8 19.2 38.4 43 43 A L G < S+ 0 0 44 -3,-1.3 2,-0.5 -4,-0.2 -1,-0.3 0.718 82.7 72.3 -71.4 -36.9 13.9 21.9 35.7 44 44 A F S X> S- 0 0 44 -3,-1.4 4,-2.2 -4,-0.5 3,-2.0 -0.762 70.1-149.0 -93.0 122.0 15.8 20.2 33.1 45 45 A S T 34 S+ 0 0 56 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.829 104.3 51.0 -58.1 -32.5 13.9 17.2 31.1 46 46 A F T 34 S+ 0 0 19 1,-0.2 -1,-0.3 -3,-0.1 14,-0.1 0.450 111.2 46.4 -87.1 -1.8 17.1 15.5 30.8 47 47 A L T X4 S+ 0 0 0 -3,-2.0 3,-1.2 -6,-0.3 -2,-0.2 0.678 88.8 102.0-103.4 -30.8 17.9 15.8 34.5 48 48 A K T 3< S+ 0 0 120 -4,-2.2 3,-0.1 1,-0.2 -6,-0.1 -0.396 90.3 12.0 -59.3 122.9 14.4 14.6 35.9 49 49 A G T 3 S+ 0 0 86 1,-0.5 -1,-0.2 -2,-0.2 -3,-0.1 -0.015 106.2 110.0 98.4 -23.4 14.1 11.1 37.2 50 50 A T < - 0 0 46 -3,-1.2 -1,-0.5 1,-0.1 3,-0.1 -0.191 59.5-154.7 -71.7 165.1 17.8 10.9 37.0 51 51 A S S S+ 0 0 118 1,-0.4 2,-0.2 -3,-0.1 -1,-0.1 0.772 78.2 27.5-104.4 -45.5 19.9 10.7 40.2 52 52 A E S S- 0 0 145 1,-0.0 -1,-0.4 0, 0.0 3,-0.1 -0.772 98.2 -86.4-110.1 157.3 23.2 12.2 38.9 53 53 A V - 0 0 12 -2,-0.2 -6,-0.1 1,-0.1 -22,-0.0 -0.579 50.2-118.6 -67.9 111.0 24.0 14.7 36.0 54 54 A P - 0 0 30 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.122 21.7-159.3 -49.9 139.8 24.3 12.6 32.8 55 55 A Q S S+ 0 0 107 1,-0.1 -28,-0.1 -3,-0.1 -29,-0.1 0.823 83.1 35.0 -98.6 -29.5 27.7 12.9 31.3 56 56 A N S S+ 0 0 131 -29,-0.0 -1,-0.1 4,-0.0 3,-0.1 -0.371 76.8 132.3-124.6 50.1 27.1 11.8 27.7 57 57 A N > - 0 0 41 -3,-0.2 4,-2.1 1,-0.2 5,-0.1 -0.899 44.6-154.9-104.7 124.2 23.7 13.0 27.0 58 58 A P H > S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.755 95.6 58.4 -70.7 -27.7 23.5 14.8 23.7 59 59 A E H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 3,-0.1 0.951 107.2 46.3 -64.0 -53.6 20.6 16.7 24.8 60 60 A L H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.897 114.3 48.1 -51.5 -44.1 22.7 18.2 27.7 61 61 A Q H X S+ 0 0 43 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.916 110.5 48.9 -69.9 -37.7 25.8 19.0 25.6 62 62 A A H X S+ 0 0 60 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.917 111.6 52.3 -69.7 -40.8 24.0 20.7 22.8 63 63 A H H X S+ 0 0 66 -4,-2.6 4,-1.6 -5,-0.2 3,-0.4 0.959 110.3 43.1 -54.7 -64.8 22.2 22.7 25.3 64 64 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.878 110.2 59.2 -59.5 -26.9 25.3 24.1 27.4 65 65 A G H X S+ 0 0 14 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.921 101.5 52.8 -63.6 -44.1 27.3 24.8 24.2 66 66 A K H X S+ 0 0 143 -4,-1.6 4,-1.9 -3,-0.4 -1,-0.3 0.855 103.8 58.4 -61.3 -41.8 24.7 27.0 23.0 67 67 A V H X S+ 0 0 39 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.942 107.8 42.9 -56.1 -48.5 24.8 29.0 26.3 68 68 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.891 109.3 59.2 -70.9 -28.5 28.6 30.0 26.2 69 69 A K H X S+ 0 0 84 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.911 101.1 54.4 -67.3 -39.4 28.5 30.9 22.5 70 70 A L H X S+ 0 0 38 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.886 106.3 50.4 -61.2 -43.1 26.0 33.3 23.1 71 71 A V H X S+ 0 0 2 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.930 111.4 48.8 -65.2 -34.2 28.2 35.2 25.9 72 72 A Y H X S+ 0 0 31 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.923 107.8 52.8 -67.6 -42.5 31.3 35.4 23.7 73 73 A E H X S+ 0 0 93 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.908 105.4 57.3 -64.9 -36.0 29.4 36.8 20.7 74 74 A A H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.897 102.3 52.7 -57.5 -45.1 28.1 39.3 23.0 75 75 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.867 111.2 46.3 -62.0 -34.8 31.7 40.6 24.1 76 76 A I H X S+ 0 0 45 -4,-1.7 4,-2.8 -3,-0.3 5,-0.3 0.950 106.9 55.7 -76.2 -40.8 32.9 41.2 20.5 77 77 A Q H X>S+ 0 0 68 -4,-2.4 4,-2.7 1,-0.2 5,-0.8 0.921 107.3 52.5 -58.2 -38.4 29.9 42.8 19.6 78 78 A L H X5S+ 0 0 16 -4,-2.5 4,-0.9 4,-0.2 -1,-0.2 0.906 110.9 44.7 -60.3 -41.7 30.6 45.2 22.6 79 79 A E H <5S+ 0 0 58 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.933 120.6 39.4 -70.8 -40.6 34.2 46.1 21.5 80 80 A V H <5S+ 0 0 99 -4,-2.8 -2,-0.2 1,-0.1 -1,-0.2 0.897 135.1 16.0 -71.4 -54.6 33.4 46.7 17.8 81 81 A T H <5S- 0 0 80 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.631 94.0-121.1 -99.8 -29.9 30.2 48.3 18.0 82 82 A G S < - 0 0 72 -2,-0.5 4,-2.0 1,-0.0 3,-0.3 -0.521 48.2 -78.8-117.1-171.1 17.5 39.2 17.7 88 88 A A H > S+ 0 0 79 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.869 126.4 53.7 -57.6 -36.8 14.7 36.3 17.0 89 89 A T H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.898 104.8 49.9 -65.5 -45.3 16.7 33.8 18.7 90 90 A L H > S+ 0 0 10 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.853 111.4 52.2 -69.0 -31.1 17.1 35.8 21.9 91 91 A K H X S+ 0 0 103 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.906 107.1 48.5 -69.0 -37.5 13.4 36.3 21.9 92 92 A N H X S+ 0 0 103 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.933 109.4 59.5 -69.0 -32.8 12.5 32.5 21.5 93 93 A L H X S+ 0 0 38 -4,-2.6 4,-2.0 1,-0.3 -2,-0.2 0.900 97.4 54.3 -56.7 -48.5 15.0 32.0 24.3 94 94 A G H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.886 109.4 51.5 -55.9 -38.3 13.1 34.2 26.6 95 95 A S H X S+ 0 0 53 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.915 105.7 50.8 -64.6 -48.2 9.8 31.8 25.9 96 96 A V H X S+ 0 0 57 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.904 105.8 57.9 -65.3 -31.5 11.2 28.6 26.5 97 97 A H H <>S+ 0 0 52 -4,-2.0 5,-2.4 1,-0.2 4,-0.3 0.880 106.5 48.4 -66.7 -38.3 12.6 29.8 29.9 98 98 A V H ><5S+ 0 0 48 -4,-1.5 3,-2.0 -5,-0.2 -1,-0.2 0.961 107.4 54.7 -66.5 -39.9 9.3 30.7 31.0 99 99 A S H 3<5S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.770 108.2 54.7 -57.7 -30.6 7.6 27.2 30.0 100 100 A K T 3<5S- 0 0 102 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.418 119.5-108.3 -91.9 0.3 10.2 25.6 32.0 101 101 A G T < 5 + 0 0 53 -3,-2.0 2,-0.3 -4,-0.3 -3,-0.2 0.694 62.4 155.6 82.4 22.7 9.5 27.4 35.2 102 102 A V < - 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