==== 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 2LH7 . COMPND 2 MOLECULE: LEGHEMOGLOBIN (NITROSOBENZENE); . 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) . 8193.0 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 . 1 0.7 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 . 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 79 0, 0.0 2,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -42.4 37.0 48.7 31.2 2 2 A A - 0 0 91 1,-0.2 80,-0.1 5,-0.1 131,-0.0 0.032 360.0 -74.4 72.8 -30.2 34.5 49.2 28.4 3 3 A L - 0 0 11 -2,-0.2 -1,-0.2 77,-0.0 2,-0.1 0.850 59.3-163.1 98.4 79.0 35.9 46.6 26.2 4 4 A T > - 0 0 59 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.353 38.9-101.5 -82.1 165.2 39.3 47.7 24.6 5 5 A E H > S+ 0 0 160 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.823 128.6 51.5 -60.2 -29.0 40.8 46.1 21.7 6 6 A S H > S+ 0 0 64 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.833 106.7 49.7 -77.8 -38.9 43.0 44.5 24.1 7 7 A Q H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.910 112.0 50.1 -64.1 -36.0 40.1 43.2 26.5 8 8 A A H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.857 104.8 56.2 -73.5 -31.1 38.2 41.6 23.5 9 9 A A H X S+ 0 0 57 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.3 0.826 104.7 54.3 -69.2 -30.8 41.1 40.0 22.4 10 10 A L H X S+ 0 0 63 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.896 108.4 46.3 -69.8 -40.1 41.2 38.5 25.8 11 11 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.930 112.6 51.4 -66.8 -37.6 37.5 36.9 25.7 12 12 A K H X S+ 0 0 77 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.917 109.4 48.5 -65.1 -45.7 38.0 35.5 22.2 13 13 A S H X S+ 0 0 60 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.864 112.9 47.3 -60.9 -45.2 41.0 33.9 23.2 14 14 A S H X S+ 0 0 2 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.879 110.0 52.8 -71.3 -27.3 39.4 32.4 26.3 15 15 A W H X S+ 0 0 37 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.916 104.1 56.9 -72.9 -32.3 36.2 31.1 24.5 16 16 A E H X S+ 0 0 95 -4,-2.1 4,-0.9 1,-0.3 -2,-0.2 0.945 103.7 52.6 -67.4 -38.1 38.3 29.4 22.1 17 17 A E H < S+ 0 0 59 -4,-1.7 3,-0.4 1,-0.2 -1,-0.3 0.864 108.7 51.0 -60.2 -36.9 39.8 27.6 24.9 18 18 A F H >< S+ 0 0 0 -4,-1.8 3,-2.2 1,-0.2 7,-0.3 0.948 107.6 50.3 -63.8 -46.1 36.2 26.5 26.2 19 19 A N H >< S+ 0 0 79 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.685 89.0 81.9 -70.9 -15.1 34.9 25.1 22.9 20 20 A A T 3< S+ 0 0 84 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.620 106.2 24.3 -67.1 -16.3 37.9 23.2 22.7 21 21 A N T <> + 0 0 58 -3,-2.2 4,-2.9 -4,-0.2 -1,-0.3 -0.351 66.2 163.9-149.7 63.3 36.2 20.6 25.2 22 22 A I H <> S+ 0 0 35 -3,-0.8 4,-3.0 2,-0.2 5,-0.4 0.893 73.7 51.4 -44.3 -56.7 32.4 20.7 25.2 23 23 A P H > S+ 0 0 57 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.898 120.5 39.6 -61.5 -32.4 31.4 17.3 27.0 24 24 A K H > S+ 0 0 121 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.956 117.6 42.8 -76.5 -52.4 33.8 18.3 29.8 25 25 A H H X S+ 0 0 25 -4,-2.9 4,-2.0 -7,-0.3 -3,-0.2 0.819 117.3 49.6 -67.9 -35.9 33.2 21.9 30.2 26 26 A T H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.819 110.2 47.0 -71.0 -36.2 29.4 21.4 29.8 27 27 A H H X S+ 0 0 47 -4,-1.2 4,-2.1 -5,-0.4 -2,-0.2 0.950 115.5 50.4 -69.4 -38.1 29.1 18.6 32.4 28 28 A R H X S+ 0 0 84 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.852 105.6 54.1 -66.4 -38.6 31.3 20.9 34.8 29 29 A F H X S+ 0 0 8 -4,-2.0 4,-2.0 2,-0.2 -1,-0.3 0.911 109.0 48.0 -60.8 -49.5 29.1 23.7 34.2 30 30 A F H X S+ 0 0 9 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.849 111.6 50.3 -62.7 -35.9 25.9 21.5 35.3 31 31 A I H X S+ 0 0 45 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.907 109.6 50.2 -68.4 -37.6 27.6 20.3 38.4 32 32 A L H X S+ 0 0 3 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.859 111.5 50.7 -69.2 -37.6 28.6 24.0 39.3 33 33 A V H >X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 3,-0.5 0.927 109.7 46.0 -61.9 -48.5 25.1 24.9 38.8 34 34 A L H 3< S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.806 113.3 55.4 -70.0 -25.2 23.7 22.0 41.1 35 35 A E H 3< S+ 0 0 121 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.753 110.0 41.7 -72.8 -32.7 26.4 23.1 43.7 36 36 A I H << S+ 0 0 67 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.884 141.1 4.2 -84.5 -36.3 25.3 26.6 43.8 37 37 A A >< - 0 0 27 -4,-2.5 3,-1.9 -5,-0.1 -1,-0.2 -0.750 57.9-173.7-153.9 92.0 21.6 25.4 43.8 38 38 A P G > S+ 0 0 98 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.784 82.8 68.0 -53.1 -31.1 20.4 21.6 44.0 39 39 A A G > S+ 0 0 79 1,-0.3 3,-1.1 2,-0.1 4,-0.2 0.729 80.1 81.5 -63.4 -23.7 16.7 22.2 43.5 40 40 A A G X S+ 0 0 7 -3,-1.9 3,-1.8 1,-0.2 4,-0.4 0.627 73.0 80.9 -57.0 -22.3 17.5 23.3 40.0 41 41 A K G X S+ 0 0 39 -3,-1.8 3,-1.8 1,-0.3 6,-0.3 0.894 77.2 62.6 -57.5 -40.6 17.6 19.6 39.0 42 42 A D G < S+ 0 0 113 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.612 96.1 69.6 -60.3 -15.1 13.8 19.0 38.6 43 43 A L G < S+ 0 0 42 -3,-1.8 2,-0.6 -4,-0.2 -1,-0.3 0.658 83.3 72.2 -73.0 -33.3 14.0 21.6 35.8 44 44 A F X> - 0 0 56 -3,-1.8 4,-2.7 -4,-0.4 3,-1.8 -0.838 66.9-153.4 -98.9 119.1 15.8 19.7 33.4 45 45 A S T 34 S+ 0 0 53 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.800 102.7 50.9 -55.9 -34.3 13.9 16.7 31.5 46 46 A F T 34 S+ 0 0 19 1,-0.2 -1,-0.3 -3,-0.1 14,-0.1 0.460 113.2 42.5 -87.5 -3.8 17.1 15.1 31.0 47 47 A L T X4 S+ 0 0 1 -3,-1.8 3,-1.4 -6,-0.3 -2,-0.2 0.647 93.5 97.4-106.0 -30.7 18.1 15.4 34.7 48 48 A K T 3< S+ 0 0 116 -4,-2.7 3,-0.1 1,-0.3 -6,-0.1 -0.426 91.6 17.4 -60.9 123.8 14.5 14.4 36.1 49 49 A G T 3 S+ 0 0 86 1,-0.5 -1,-0.3 -2,-0.2 2,-0.1 0.023 109.9 102.4 96.3 -18.5 14.2 10.7 37.1 50 50 A T < - 0 0 50 -3,-1.4 -1,-0.5 1,-0.1 3,-0.1 -0.228 61.6-155.3 -76.5 177.5 17.9 10.6 37.2 51 51 A S S S+ 0 0 115 1,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.688 77.7 31.2-113.3 -50.9 20.0 10.7 40.3 52 52 A E S S- 0 0 142 1,-0.0 -1,-0.4 0, 0.0 3,-0.1 -0.759 98.5 -86.7-103.1 155.5 23.4 12.1 39.0 53 53 A V - 0 0 10 -2,-0.3 -6,-0.1 1,-0.1 -1,-0.0 -0.518 49.1-120.9 -62.8 111.9 24.1 14.5 36.0 54 54 A P - 0 0 29 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.158 20.2-157.0 -51.0 143.7 24.3 12.4 32.9 55 55 A Q S S+ 0 0 104 1,-0.1 -28,-0.1 -3,-0.1 -29,-0.1 0.753 84.0 35.3-104.4 -22.0 27.8 12.8 31.3 56 56 A N S S+ 0 0 129 -29,-0.0 -1,-0.1 4,-0.0 3,-0.1 -0.315 76.0 136.5-128.9 45.2 27.0 11.8 27.7 57 57 A N > - 0 0 41 1,-0.2 4,-2.3 -3,-0.2 5,-0.2 -0.858 43.7-154.0 -96.9 119.8 23.7 13.0 27.2 58 58 A P H > S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.721 95.4 55.2 -62.9 -30.2 23.4 14.6 23.8 59 59 A E H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.955 106.9 48.7 -69.5 -50.3 20.7 16.7 24.9 60 60 A L H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.899 114.9 45.7 -49.6 -45.7 22.7 18.2 27.9 61 61 A Q H X S+ 0 0 42 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.919 111.3 49.1 -69.6 -43.5 25.8 18.9 25.7 62 62 A A H X S+ 0 0 53 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.886 115.1 46.3 -64.9 -41.0 24.1 20.5 22.9 63 63 A H H X S+ 0 0 94 -4,-2.6 4,-1.2 -5,-0.2 3,-0.4 0.954 111.6 45.7 -70.1 -52.7 22.3 22.6 25.1 64 64 A A H X S+ 0 0 1 -4,-2.8 4,-1.6 -5,-0.3 -2,-0.2 0.888 109.7 59.1 -59.7 -30.6 25.1 23.9 27.6 65 65 A G H X S+ 0 0 13 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.897 99.0 55.5 -64.3 -39.6 27.4 24.7 24.6 66 66 A K H X S+ 0 0 128 -4,-1.2 4,-1.5 -3,-0.4 -1,-0.3 0.778 100.1 61.7 -63.7 -36.1 25.0 27.0 23.1 67 67 A V H X S+ 0 0 51 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.960 106.3 42.3 -54.5 -53.8 25.0 28.9 26.3 68 68 A F H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.854 110.3 58.2 -65.2 -31.4 28.8 29.9 26.3 69 69 A K H X S+ 0 0 82 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.856 102.2 53.6 -68.9 -35.9 28.8 30.7 22.6 70 70 A L H X S+ 0 0 33 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.888 106.0 51.4 -68.1 -40.0 26.3 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 0.913 110.5 49.8 -64.2 -34.8 28.3 35.0 25.8 72 72 A Y H X S+ 0 0 33 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.927 108.0 51.7 -67.5 -41.3 31.4 35.3 23.6 73 73 A E H X S+ 0 0 89 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.887 105.3 57.1 -66.7 -35.3 29.6 36.6 20.7 74 74 A A H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.865 103.2 53.2 -58.3 -40.7 28.2 39.1 23.0 75 75 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.902 110.9 46.0 -66.9 -35.4 31.8 40.4 24.0 76 76 A I H X S+ 0 0 51 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.944 108.3 55.1 -72.5 -41.4 33.0 41.0 20.4 77 77 A Q H X>S+ 0 0 67 -4,-2.4 4,-2.9 1,-0.2 5,-0.8 0.926 107.5 51.3 -60.9 -40.0 29.9 42.6 19.6 78 78 A L H X5S+ 0 0 15 -4,-2.6 4,-1.1 4,-0.2 -1,-0.2 0.905 110.5 47.3 -59.4 -42.0 30.6 45.0 22.6 79 79 A E H <5S+ 0 0 59 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.945 121.1 35.9 -69.4 -39.3 34.2 45.9 21.4 80 80 A V H <5S+ 0 0 98 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.873 134.3 20.0 -74.8 -55.0 33.3 46.6 17.9 81 81 A T H <5S- 0 0 78 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.645 93.6-123.2 -96.9 -28.3 30.1 48.0 18.0 82 82 A G S < - 0 0 75 -2,-0.7 4,-2.0 1,-0.0 3,-0.5 -0.463 46.8 -80.8-107.0-178.7 17.7 38.9 17.6 88 88 A A H > S+ 0 0 77 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.868 126.9 53.6 -48.4 -40.6 14.8 36.0 16.9 89 89 A T H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.903 103.0 51.7 -64.6 -45.7 16.8 33.6 18.7 90 90 A L H > S+ 0 0 11 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.886 110.1 53.4 -66.2 -30.4 17.1 35.5 21.9 91 91 A K H X S+ 0 0 99 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.861 107.0 48.0 -69.5 -32.1 13.5 36.0 21.8 92 92 A N H X S+ 0 0 103 -4,-1.9 4,-2.3 2,-0.2 3,-0.3 0.923 108.2 59.6 -77.2 -31.7 12.6 32.2 21.5 93 93 A L H X S+ 0 0 35 -4,-2.6 4,-2.0 1,-0.3 5,-0.2 0.905 97.4 55.6 -60.9 -40.7 15.0 31.7 24.3 94 94 A G H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.3 0.886 108.7 51.2 -60.5 -35.9 13.1 33.8 26.5 95 95 A S H X S+ 0 0 54 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.938 107.2 48.4 -65.6 -51.9 9.9 31.5 25.8 96 96 A V H X S+ 0 0 54 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.876 107.2 58.5 -61.9 -33.2 11.2 28.2 26.5 97 97 A H H <>S+ 0 0 57 -4,-2.0 5,-2.5 1,-0.2 4,-0.4 0.923 105.8 48.5 -65.1 -42.8 12.7 29.5 29.8 98 98 A V H ><5S+ 0 0 46 -4,-1.7 3,-1.5 -5,-0.2 -1,-0.2 0.940 109.4 52.9 -60.1 -40.2 9.4 30.5 31.0 99 99 A S H 3<5S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.848 107.0 54.4 -64.5 -35.1 7.8 26.9 30.0 100 100 A K T 3<5S- 0 0 111 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.499 121.0-111.7 -82.4 0.1 10.4 25.2 31.9 101 101 A G T < 5 + 0 0 50 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.712 60.3 157.8 79.0 24.9 9.6 27.2 35.0 102 102 A V < - 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