==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 23-APR-82 1LH7 . 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) . 8178.0 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 . 2 1.3 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,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -38.0 36.9 48.7 31.3 2 2 A A - 0 0 90 1,-0.2 80,-0.1 5,-0.1 131,-0.0 0.110 360.0 -72.6 68.6 -34.9 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 0.836 59.5-163.9 106.4 74.0 35.9 46.7 26.1 4 4 A T > - 0 0 58 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.365 39.0-102.8 -84.7 165.3 39.3 47.7 24.6 5 5 A E H > S+ 0 0 161 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.814 127.6 50.6 -62.0 -30.3 40.8 46.1 21.7 6 6 A S H > S+ 0 0 63 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.816 106.8 50.2 -78.7 -32.3 42.9 44.5 24.1 7 7 A Q H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.923 111.8 50.8 -67.8 -32.5 40.1 43.2 26.5 8 8 A A H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.849 104.5 55.7 -75.6 -31.2 38.2 41.7 23.5 9 9 A A H X S+ 0 0 58 -4,-1.3 4,-1.6 1,-0.2 -1,-0.3 0.807 104.9 54.6 -70.9 -29.0 41.1 40.0 22.3 10 10 A L H X S+ 0 0 64 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.872 107.7 46.5 -69.7 -45.9 41.2 38.4 25.8 11 11 A V H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.932 113.2 51.9 -60.8 -36.7 37.5 36.9 25.7 12 12 A K H X S+ 0 0 78 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.918 109.0 47.7 -61.6 -48.2 38.1 35.5 22.2 13 13 A S H X S+ 0 0 61 -4,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.849 112.8 48.3 -61.0 -46.1 41.0 33.9 23.2 14 14 A S H X S+ 0 0 3 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.900 109.4 52.8 -68.9 -30.9 39.4 32.4 26.3 15 15 A W H X S+ 0 0 36 -4,-3.2 4,-2.5 2,-0.2 5,-0.2 0.926 104.9 56.4 -68.8 -31.4 36.2 31.1 24.4 16 16 A E H X S+ 0 0 96 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.950 103.6 51.9 -68.1 -42.7 38.3 29.4 22.1 17 17 A E H >< S+ 0 0 61 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.884 109.0 51.7 -59.8 -35.7 39.8 27.6 24.9 18 18 A F H >< S+ 0 0 0 -4,-2.0 3,-2.4 1,-0.2 7,-0.3 0.964 107.3 50.2 -62.2 -44.8 36.2 26.6 26.3 19 19 A N H >< S+ 0 0 79 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.657 88.3 83.4 -72.3 -11.9 34.8 25.0 23.0 20 20 A A T << S+ 0 0 84 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.574 105.5 23.0 -71.1 -16.9 37.8 23.2 22.8 21 21 A N T <> + 0 0 57 -3,-2.4 4,-2.9 -4,-0.2 -1,-0.3 -0.420 66.6 165.0-148.4 68.6 36.1 20.6 25.2 22 22 A I H <> S+ 0 0 35 -3,-0.7 4,-2.6 2,-0.2 5,-0.4 0.901 73.6 51.7 -51.8 -45.2 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 0.925 119.6 40.0 -73.0 -29.7 31.5 17.3 27.0 24 24 A K H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.966 117.0 43.3 -75.7 -51.8 33.8 18.3 29.8 25 25 A H H X S+ 0 0 24 -4,-2.9 4,-2.0 -7,-0.3 -3,-0.2 0.784 116.9 50.5 -64.5 -38.8 33.2 21.9 30.2 26 26 A T H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.802 109.7 46.0 -64.9 -39.3 29.4 21.4 29.9 27 27 A H H X S+ 0 0 45 -4,-1.2 4,-2.1 -5,-0.4 -2,-0.2 0.945 115.8 51.2 -74.1 -34.6 29.0 18.6 32.4 28 28 A R H X S+ 0 0 85 -4,-2.2 4,-1.8 1,-0.3 -2,-0.2 0.838 105.9 53.3 -62.7 -45.1 31.3 20.9 34.7 29 29 A F H X S+ 0 0 7 -4,-2.0 4,-2.0 2,-0.2 3,-0.3 0.916 109.3 48.0 -57.9 -51.0 29.1 23.7 34.1 30 30 A F H X S+ 0 0 9 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.860 111.7 50.6 -59.0 -36.6 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 0.879 110.0 48.9 -71.3 -35.6 27.6 20.3 38.4 32 32 A L H X S+ 0 0 3 -4,-1.8 4,-1.2 -3,-0.3 -2,-0.2 0.867 111.2 52.0 -76.4 -32.6 28.6 24.0 39.4 33 33 A V H >X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 3,-0.6 0.940 109.6 45.5 -58.8 -49.8 25.1 24.9 38.8 34 34 A L H 3< S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.800 113.3 55.4 -71.2 -25.1 23.7 22.0 41.2 35 35 A E H 3< S+ 0 0 121 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.708 109.7 42.3 -73.0 -30.2 26.5 23.1 43.8 36 36 A I H << S+ 0 0 65 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.875 141.3 2.3 -88.8 -30.5 25.3 26.6 43.8 37 37 A A >< - 0 0 28 -4,-2.2 3,-2.0 -5,-0.2 -1,-0.2 -0.734 57.5-172.5-160.4 95.7 21.6 25.3 43.9 38 38 A P G > S+ 0 0 97 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.809 82.2 69.0 -58.0 -27.7 20.4 21.6 44.0 39 39 A A G > S+ 0 0 81 1,-0.3 3,-1.0 2,-0.1 4,-0.1 0.711 80.2 81.0 -64.0 -22.9 16.7 22.2 43.5 40 40 A A G X S+ 0 0 8 -3,-2.0 3,-2.0 1,-0.2 4,-0.4 0.646 72.7 81.0 -61.7 -15.7 17.5 23.3 40.0 41 41 A K G X S+ 0 0 40 -3,-1.9 3,-1.9 1,-0.3 6,-0.3 0.921 76.8 62.4 -66.1 -36.5 17.6 19.7 39.0 42 42 A D G < S+ 0 0 112 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.613 96.1 71.1 -60.4 -14.2 13.8 19.0 38.6 43 43 A L G < S+ 0 0 43 -3,-2.0 2,-0.6 -4,-0.1 -1,-0.3 0.637 83.0 71.2 -73.1 -29.4 14.0 21.7 35.8 44 44 A F X> - 0 0 54 -3,-1.9 4,-2.4 -4,-0.4 3,-1.8 -0.854 67.5-153.5-103.6 122.9 15.8 19.7 33.4 45 45 A S T 34 S+ 0 0 53 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.806 102.1 52.1 -61.9 -31.2 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 0.429 113.4 40.3 -85.2 -6.7 17.1 15.1 31.0 47 47 A L T X4 S+ 0 0 0 -3,-1.8 3,-1.2 -6,-0.3 2,-0.2 0.586 94.5 97.7-106.6 -29.3 18.1 15.3 34.7 48 48 A K T 3< S+ 0 0 116 -4,-2.4 3,-0.1 1,-0.3 -6,-0.1 -0.457 91.9 18.3 -59.5 123.9 14.6 14.4 36.1 49 49 A G T 3 S+ 0 0 85 1,-0.5 -1,-0.3 -2,-0.2 -3,-0.1 -0.021 110.1 102.0 98.8 -22.0 14.2 10.8 37.1 50 50 A T < - 0 0 48 -3,-1.2 -1,-0.5 1,-0.1 3,-0.1 -0.195 61.3-155.9 -71.5 177.9 17.9 10.6 37.1 51 51 A S S S+ 0 0 115 1,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.683 78.4 32.3-112.4 -49.9 20.0 10.7 40.4 52 52 A E S S- 0 0 138 1,-0.0 -1,-0.4 0, 0.0 3,-0.1 -0.770 98.8 -87.9-100.9 155.1 23.4 12.1 39.0 53 53 A V - 0 0 9 -2,-0.3 -6,-0.1 1,-0.1 -1,-0.0 -0.510 49.1-122.9 -60.2 111.3 24.1 14.6 36.0 54 54 A P - 0 0 30 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.144 19.4-155.4 -49.6 143.1 24.3 12.3 33.0 55 55 A Q S S+ 0 0 106 1,-0.1 -28,-0.1 -3,-0.1 -29,-0.1 0.739 83.5 36.1-106.1 -12.7 27.8 12.8 31.3 56 56 A N S S+ 0 0 130 -29,-0.0 -1,-0.1 4,-0.0 3,-0.1 -0.304 75.3 137.1-135.3 47.8 27.0 11.8 27.7 57 57 A N > - 0 0 40 -3,-0.2 4,-2.0 1,-0.2 5,-0.2 -0.866 44.0-153.4 -95.6 121.6 23.7 13.0 27.2 58 58 A P H > S+ 0 0 97 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.663 95.0 54.8 -64.6 -26.5 23.4 14.6 23.8 59 59 A E H > S+ 0 0 93 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.962 107.1 48.4 -77.5 -42.6 20.7 16.8 24.9 60 60 A L H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.869 114.7 46.1 -53.5 -48.2 22.7 18.1 27.9 61 61 A Q H X S+ 0 0 40 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.916 111.5 48.9 -66.5 -45.1 25.8 18.9 25.7 62 62 A A H X S+ 0 0 54 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.897 114.8 45.9 -66.5 -41.3 24.1 20.5 22.9 63 63 A H H X S+ 0 0 95 -4,-2.9 4,-1.2 -5,-0.2 3,-0.4 0.958 112.2 46.3 -69.0 -51.0 22.2 22.7 25.1 64 64 A A H X S+ 0 0 1 -4,-2.8 4,-1.6 -5,-0.3 -2,-0.2 0.876 110.0 56.6 -58.8 -33.6 25.1 23.9 27.6 65 65 A G H X S+ 0 0 11 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.908 100.7 55.8 -68.6 -34.5 27.5 24.7 24.6 66 66 A K H X S+ 0 0 130 -4,-1.2 4,-1.4 -3,-0.4 -1,-0.3 0.739 100.7 61.3 -62.3 -39.4 25.0 27.0 23.1 67 67 A V H X S+ 0 0 52 -4,-1.2 4,-1.7 2,-0.2 3,-0.3 0.965 106.8 41.9 -49.6 -54.6 25.0 28.9 26.4 68 68 A F H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.834 110.7 58.5 -67.2 -29.0 28.8 29.9 26.3 69 69 A K H X S+ 0 0 82 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.819 102.1 52.5 -70.4 -34.9 28.8 30.7 22.6 70 70 A L H X S+ 0 0 31 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.2 0.882 106.3 52.1 -74.2 -38.7 26.3 33.1 23.0 71 71 A V H X S+ 0 0 4 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.885 110.4 49.7 -59.1 -41.7 28.3 35.0 25.8 72 72 A Y H X S+ 0 0 33 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.914 108.4 51.2 -61.1 -42.9 31.5 35.2 23.6 73 73 A E H X S+ 0 0 90 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.884 105.4 56.8 -68.9 -33.4 29.6 36.6 20.7 74 74 A A H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.871 103.3 54.5 -59.5 -40.3 28.2 39.2 23.0 75 75 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.918 110.9 44.6 -65.6 -37.4 31.8 40.4 24.0 76 76 A I H X S+ 0 0 50 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.961 108.5 55.6 -71.0 -42.3 33.0 41.0 20.4 77 77 A Q H X>S+ 0 0 67 -4,-2.3 4,-2.6 -5,-0.2 5,-0.8 0.950 107.5 50.9 -61.8 -34.8 29.9 42.6 19.6 78 78 A L H X5S+ 0 0 16 -4,-2.6 4,-1.5 4,-0.2 -2,-0.2 0.962 111.0 47.4 -67.6 -31.5 30.6 45.0 22.5 79 79 A E H <5S+ 0 0 59 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.951 120.9 36.4 -76.1 -35.7 34.2 45.9 21.4 80 80 A V H <5S+ 0 0 96 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.820 134.0 18.9 -71.4 -57.8 33.3 46.5 17.9 81 81 A T H <5S- 0 0 77 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.597 94.1-121.7 -99.7 -28.7 30.1 48.1 18.0 82 82 A G S < - 0 0 76 -2,-0.6 4,-1.9 1,-0.0 3,-0.4 -0.473 46.4 -80.3-104.1-179.9 17.7 38.9 17.6 88 88 A A H > S+ 0 0 78 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.908 126.5 54.0 -49.2 -38.5 14.9 36.0 16.9 89 89 A T H > S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.910 102.3 51.2 -64.5 -42.7 16.8 33.6 18.7 90 90 A L H > S+ 0 0 10 -3,-0.4 4,-1.6 1,-0.3 -1,-0.2 0.854 109.2 55.9 -68.3 -33.9 17.1 35.5 21.9 91 91 A K H X S+ 0 0 102 -4,-1.9 4,-1.2 2,-0.2 -1,-0.3 0.869 106.6 45.9 -65.4 -28.9 13.5 36.0 21.8 92 92 A N H X S+ 0 0 103 -4,-1.9 4,-2.6 1,-0.2 3,-0.3 0.938 107.3 62.6 -83.1 -29.2 12.6 32.3 21.6 93 93 A L H X S+ 0 0 36 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.865 97.7 53.5 -62.1 -36.6 15.1 31.7 24.3 94 94 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.3 0.887 108.3 52.2 -72.2 -28.1 13.2 33.7 26.5 95 95 A S H X S+ 0 0 52 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.952 107.4 49.3 -67.7 -52.5 9.8 31.5 25.8 96 96 A V H X S+ 0 0 52 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.852 107.3 56.6 -55.3 -35.5 11.2 28.3 26.4 97 97 A H H <>S+ 0 0 58 -4,-1.7 5,-2.4 1,-0.2 4,-0.4 0.937 105.7 50.1 -69.9 -39.2 12.7 29.5 29.8 98 98 A V H ><5S+ 0 0 46 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.2 0.946 109.5 52.1 -61.5 -39.7 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 0.860 107.1 54.1 -66.9 -33.9 7.8 26.9 30.0 100 100 A K T 3<5S- 0 0 114 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.461 121.6-111.1 -80.0 -0.9 10.3 25.2 31.9 101 101 A G T < 5 + 0 0 50 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.2 0.742 60.7 156.8 80.6 26.0 9.6 27.1 35.0 102 102 A V < - 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