==== 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 1LH2 . 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) . 8207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 77.1 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 . 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 . 1 0.7 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 89 0, 0.0 2,-0.3 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -38.6 36.5 49.1 31.6 2 2 A A - 0 0 82 1,-0.1 80,-0.0 2,-0.1 0, 0.0 -0.493 360.0 -83.1 102.5 -63.4 34.8 49.5 28.3 3 3 A L - 0 0 11 -2,-0.3 -1,-0.1 77,-0.0 79,-0.1 0.665 56.2-166.0 110.4 72.5 35.9 46.8 26.0 4 4 A T > - 0 0 56 1,-0.1 4,-2.7 -3,-0.1 5,-0.3 -0.293 39.0-102.2 -82.6 166.6 39.3 47.9 24.6 5 5 A E H > S+ 0 0 156 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.853 127.9 52.8 -59.5 -34.8 40.7 46.3 21.8 6 6 A S H > S+ 0 0 66 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.880 106.5 51.1 -76.3 -30.4 42.9 44.7 24.2 7 7 A Q H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.933 110.0 49.4 -66.6 -41.0 40.0 43.4 26.4 8 8 A A H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.3 5,-0.2 0.845 105.1 57.6 -70.7 -27.1 38.0 41.8 23.4 9 9 A A H X S+ 0 0 60 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.3 0.788 103.8 54.0 -70.4 -30.5 41.0 40.1 22.3 10 10 A L H X S+ 0 0 63 -4,-1.1 4,-1.9 -3,-0.3 -2,-0.2 0.875 108.5 46.2 -71.7 -39.4 41.1 38.6 25.8 11 11 A V H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.939 113.2 50.7 -66.7 -37.2 37.4 37.1 25.7 12 12 A K H X S+ 0 0 80 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.933 109.7 48.4 -67.8 -45.9 37.9 35.7 22.2 13 13 A S H X S+ 0 0 55 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.3 0.889 112.4 47.7 -57.0 -49.5 40.9 34.1 23.1 14 14 A S H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.883 111.1 53.0 -65.8 -30.7 39.3 32.5 26.3 15 15 A W H X S+ 0 0 35 -4,-3.1 4,-2.5 2,-0.2 5,-0.3 0.896 103.3 54.8 -70.7 -36.2 36.2 31.2 24.4 16 16 A E H X S+ 0 0 100 -4,-2.1 4,-0.8 -5,-0.3 3,-0.2 0.977 105.7 54.0 -65.2 -39.2 38.1 29.5 21.9 17 17 A E H >< S+ 0 0 63 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.919 108.2 49.6 -56.9 -42.7 39.7 27.8 24.8 18 18 A F H >< S+ 0 0 0 -4,-2.2 3,-2.4 1,-0.2 7,-0.3 0.924 108.3 50.8 -57.3 -45.9 36.2 26.6 26.2 19 19 A N H >< S+ 0 0 77 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.670 87.8 82.7 -75.0 -11.8 34.8 25.2 22.9 20 20 A A T << S+ 0 0 82 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.574 105.6 24.4 -70.5 -9.1 37.8 23.3 22.6 21 21 A N T <> + 0 0 58 -3,-2.4 4,-2.8 -4,-0.2 -1,-0.2 -0.329 65.1 165.1-154.2 66.1 36.1 20.7 25.1 22 22 A I H <> S+ 0 0 39 -3,-0.6 4,-2.5 2,-0.2 5,-0.5 0.870 73.5 52.1 -52.0 -46.1 32.4 20.7 25.2 23 23 A P H > S+ 0 0 57 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.942 119.7 39.7 -74.0 -27.7 31.4 17.4 27.0 24 24 A K H > S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.968 117.8 42.2 -71.4 -59.3 33.8 18.4 29.9 25 25 A H H X S+ 0 0 22 -4,-2.8 4,-2.1 -7,-0.3 -1,-0.2 0.766 118.1 50.3 -63.7 -33.8 33.2 22.1 30.2 26 26 A T H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.798 110.0 45.0 -74.1 -35.1 29.4 21.5 29.8 27 27 A H H X S+ 0 0 41 -4,-1.1 4,-2.1 -5,-0.5 -2,-0.2 0.938 117.3 50.7 -74.9 -33.4 28.9 18.7 32.4 28 28 A R H X S+ 0 0 83 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.866 104.3 54.6 -63.4 -49.7 31.2 21.0 34.7 29 29 A F H X S+ 0 0 4 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.894 110.4 47.2 -48.1 -53.5 29.1 23.9 34.1 30 30 A F H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.848 111.3 49.9 -66.1 -34.4 25.9 21.6 35.3 31 31 A I H X S+ 0 0 46 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.923 110.9 48.9 -64.7 -44.1 27.6 20.4 38.4 32 32 A L H X S+ 0 0 4 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.842 111.9 53.3 -66.5 -31.6 28.7 24.1 39.4 33 33 A V H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 3,-0.4 0.913 110.1 42.4 -59.6 -55.4 25.1 24.9 38.7 34 34 A L H < S+ 0 0 34 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.795 113.7 56.1 -73.5 -23.7 23.7 22.1 41.2 35 35 A E H < S+ 0 0 123 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.762 110.3 41.6 -70.9 -34.2 26.4 23.1 43.8 36 36 A I H < S+ 0 0 66 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.800 141.5 4.7 -78.0 -42.3 25.3 26.7 43.8 37 37 A A >< - 0 0 28 -4,-2.0 3,-2.0 -5,-0.1 4,-0.3 -0.670 60.6-174.3-153.1 87.7 21.5 25.5 43.8 38 38 A P G > S+ 0 0 95 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.831 81.5 66.7 -50.7 -33.9 20.4 21.8 44.0 39 39 A A G > S+ 0 0 81 1,-0.3 3,-1.1 2,-0.1 4,-0.2 0.680 80.9 83.3 -60.1 -22.4 16.7 22.3 43.5 40 40 A A G X S+ 0 0 5 -3,-2.0 3,-1.7 1,-0.2 4,-0.4 0.709 71.7 81.3 -66.2 -10.7 17.5 23.4 40.0 41 41 A K G X S+ 0 0 38 -3,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.915 76.4 62.6 -61.8 -38.8 17.6 19.9 39.0 42 42 A D G < S+ 0 0 108 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.603 95.0 69.7 -62.5 -13.5 13.8 19.2 38.5 43 43 A L G < S+ 0 0 44 -3,-1.7 2,-0.6 -4,-0.2 -1,-0.3 0.613 82.2 74.4 -76.8 -24.2 13.9 21.8 35.7 44 44 A F X> - 0 0 43 -3,-1.8 4,-2.8 -4,-0.4 3,-2.6 -0.845 67.5-152.5-103.6 110.7 15.8 20.0 33.2 45 45 A S T 34 S+ 0 0 61 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.872 103.9 50.7 -50.0 -35.0 13.9 16.9 31.3 46 46 A F T 34 S+ 0 0 17 1,-0.2 -1,-0.3 -3,-0.1 14,-0.1 0.528 113.6 40.8 -82.6 -12.5 17.1 15.4 30.9 47 47 A L T X4 S+ 0 0 0 -3,-2.6 3,-1.6 -6,-0.2 -2,-0.2 0.679 92.4 100.7 -99.6 -32.2 18.0 15.7 34.6 48 48 A K T 3< S+ 0 0 119 -4,-2.8 3,-0.1 1,-0.3 -6,-0.1 -0.372 91.8 14.5 -51.2 118.5 14.4 14.7 36.0 49 49 A G T 3 S+ 0 0 84 1,-0.5 -1,-0.3 -2,-0.2 2,-0.1 0.032 107.2 106.1 104.9 -23.9 14.2 11.1 37.2 50 50 A T < - 0 0 46 -3,-1.6 -1,-0.5 1,-0.1 3,-0.1 -0.214 59.9-155.6 -72.7 170.6 17.8 10.9 37.1 51 51 A S S S+ 0 0 119 1,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.733 78.0 31.7-109.9 -38.5 19.8 10.9 40.3 52 52 A E S S- 0 0 145 1,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.790 97.5 -89.3-112.7 159.2 23.2 12.2 38.9 53 53 A V - 0 0 9 -2,-0.2 -6,-0.1 1,-0.1 -22,-0.0 -0.595 48.6-123.4 -71.1 114.2 24.1 14.7 36.0 54 54 A P - 0 0 32 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.218 17.9-155.4 -53.3 145.9 24.4 12.5 33.0 55 55 A Q S S+ 0 0 108 1,-0.2 -28,-0.1 -3,-0.1 -29,-0.1 0.769 83.4 35.0-101.3 -19.9 27.8 13.0 31.4 56 56 A N S S+ 0 0 130 -29,-0.0 -1,-0.2 4,-0.0 3,-0.1 -0.322 74.6 131.1-130.6 52.4 27.0 11.9 27.7 57 57 A N > - 0 0 42 -3,-0.2 4,-2.0 1,-0.2 5,-0.1 -0.908 45.5-153.7-107.1 124.5 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 0.718 95.5 61.1 -71.0 -24.9 23.5 14.9 23.8 59 59 A E H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 -2,-0.0 0.944 106.6 44.2 -66.2 -48.4 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 0.918 114.4 49.7 -57.0 -41.4 22.7 18.2 27.8 61 61 A Q H X S+ 0 0 38 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.965 111.3 46.8 -67.6 -43.1 25.8 19.0 25.6 62 62 A A H X S+ 0 0 59 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.872 111.7 53.0 -64.5 -46.0 24.0 20.7 22.9 63 63 A H H X S+ 0 0 66 -4,-2.5 4,-1.3 -5,-0.2 3,-0.2 0.942 111.5 41.9 -50.8 -65.8 22.1 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 0.905 110.7 58.1 -55.7 -35.3 25.3 24.1 27.5 65 65 A G H X S+ 0 0 14 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.902 102.2 52.7 -58.6 -45.4 27.3 24.9 24.3 66 66 A K H X S+ 0 0 146 -4,-1.5 4,-1.5 -3,-0.2 -1,-0.3 0.788 104.3 58.9 -61.4 -40.2 24.7 27.1 23.0 67 67 A V H X S+ 0 0 40 -4,-1.3 4,-1.6 2,-0.2 3,-0.2 0.974 108.8 41.0 -57.2 -46.3 24.8 29.0 26.3 68 68 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 -2,-0.2 0.872 111.0 59.4 -73.5 -24.5 28.6 30.0 26.2 69 69 A K H X S+ 0 0 87 -4,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.865 101.2 51.9 -66.0 -47.6 28.5 30.8 22.5 70 70 A L H X S+ 0 0 35 -4,-1.5 4,-1.6 -3,-0.2 -1,-0.2 0.829 107.4 52.9 -61.3 -36.8 26.0 33.3 23.0 71 71 A V H X S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.948 110.5 47.7 -64.8 -41.5 28.1 35.1 25.8 72 72 A Y H X S+ 0 0 27 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.923 107.6 53.7 -63.6 -43.1 31.3 35.4 23.6 73 73 A E H X S+ 0 0 90 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.860 104.1 58.6 -64.2 -32.4 29.5 36.7 20.7 74 74 A A H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.878 101.4 52.8 -59.9 -41.7 28.2 39.3 23.0 75 75 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.889 110.6 47.6 -63.1 -37.0 31.7 40.6 24.0 76 76 A I H X S+ 0 0 45 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.976 107.6 52.7 -71.8 -45.9 32.8 41.1 20.4 77 77 A Q H X>S+ 0 0 68 -4,-2.4 4,-2.6 1,-0.2 6,-0.7 0.911 108.5 53.9 -59.6 -34.4 29.8 42.8 19.4 78 78 A L H X5S+ 0 0 16 -4,-2.5 4,-1.4 4,-0.2 -1,-0.2 0.948 111.0 43.7 -64.5 -35.7 30.5 45.2 22.5 79 79 A E H <5S+ 0 0 58 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.921 121.4 38.8 -75.3 -38.0 34.1 46.1 21.4 80 80 A V H <5S+ 0 0 101 -4,-2.8 -2,-0.2 1,-0.1 -1,-0.2 0.887 136.9 15.5 -71.0 -52.7 33.3 46.6 17.7 81 81 A T H <5S- 0 0 81 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.521 93.6-123.5-100.5 -32.9 30.1 48.2 18.0 82 82 A G S < - 0 0 73 -2,-0.6 4,-2.1 1,-0.0 3,-0.1 -0.474 48.7 -76.9-115.7-169.2 17.3 39.2 17.8 88 88 A A H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.952 125.9 52.0 -56.1 -43.2 14.6 36.2 17.0 89 89 A T H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.880 106.7 48.5 -61.2 -39.2 16.5 33.7 18.8 90 90 A L H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 111.2 55.2 -72.3 -34.3 17.0 35.7 22.0 91 91 A K H X S+ 0 0 111 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.872 108.3 44.8 -59.9 -40.7 13.3 36.3 21.8 92 92 A N H X S+ 0 0 100 -4,-2.3 4,-2.5 1,-0.2 3,-0.2 0.920 108.6 61.5 -74.5 -32.2 12.4 32.6 21.6 93 93 A L H X S+ 0 0 39 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.835 97.2 54.5 -61.3 -40.3 14.9 32.0 24.4 94 94 A G H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.3 0.861 109.6 51.2 -60.7 -39.0 13.0 34.1 26.6 95 95 A S H X S+ 0 0 52 -4,-1.3 4,-2.4 -3,-0.2 -2,-0.2 0.938 107.2 49.0 -62.6 -48.9 9.7 31.8 25.9 96 96 A V H X S+ 0 0 54 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.897 107.4 58.2 -67.9 -26.3 11.1 28.5 26.5 97 97 A H H ><>S+ 0 0 52 -4,-1.8 5,-2.2 1,-0.2 3,-0.5 0.929 106.4 47.2 -65.4 -44.9 12.6 29.8 29.8 98 98 A V H ><5S+ 0 0 49 -4,-1.7 3,-2.2 1,-0.2 -1,-0.2 0.950 107.6 56.3 -62.5 -44.7 9.3 30.7 31.1 99 99 A S H 3<5S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.754 107.5 53.1 -56.6 -27.3 7.6 27.2 30.0 100 100 A K T <<5S- 0 0 118 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.333 121.1-105.2 -96.3 6.8 10.0 25.5 31.9 101 101 A G T < 5 + 0 0 53 -3,-2.2 2,-0.2 -4,-0.3 -3,-0.2 0.726 63.5 153.8 80.9 23.7 9.6 27.2 35.2 102 102 A V < - 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