==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 25-JUN-98 7HBI . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR W.E.ROYER JUNIOR . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 86.9 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 1 2 0 0 0 2 0 0 0 2 3 3 0 0 1 1 0 0 0 0 0 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 2 A S > 0 0 93 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 152.6 38.4 -21.5 23.4 2 3 A V H > + 0 0 11 141,-0.3 4,-3.1 1,-0.2 5,-0.2 0.910 360.0 57.2 -60.1 -43.0 36.3 -18.3 23.9 3 4 A Y H > S+ 0 0 125 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.838 108.6 44.4 -62.8 -34.5 33.4 -20.3 25.5 4 5 A D H > S+ 0 0 114 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.925 113.3 50.2 -74.1 -42.1 35.6 -21.8 28.2 5 6 A A H >< S+ 0 0 21 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.939 110.9 51.2 -61.6 -40.0 37.3 -18.4 28.9 6 7 A A H >< S+ 0 0 8 -4,-3.1 3,-2.0 1,-0.3 -1,-0.2 0.894 102.4 59.6 -62.9 -36.8 33.8 -16.9 29.1 7 8 A A H 3< S+ 0 0 78 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.728 92.0 70.3 -66.4 -19.9 32.7 -19.7 31.6 8 9 A Q T << S+ 0 0 108 -3,-1.0 2,-1.5 -4,-1.0 -1,-0.3 0.553 72.6 95.2 -71.9 -7.6 35.5 -18.4 33.9 9 10 A L < - 0 0 13 -3,-2.0 -1,-0.1 -4,-0.2 2,-0.1 -0.674 63.6-179.0 -91.5 89.4 33.5 -15.2 34.6 10 11 A T > - 0 0 60 -2,-1.5 4,-2.9 1,-0.1 5,-0.2 -0.294 43.9 -89.2 -80.8 171.0 31.8 -16.2 37.7 11 12 A A H > S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.858 127.2 46.3 -47.1 -45.3 29.3 -14.3 39.9 12 13 A D H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 112.5 49.4 -70.8 -38.9 32.0 -12.7 42.0 13 14 A V H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.947 110.9 50.6 -64.8 -45.4 34.1 -11.7 39.0 14 15 A K H X S+ 0 0 55 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.889 110.3 50.3 -58.6 -39.5 31.1 -10.2 37.3 15 16 A K H X S+ 0 0 119 -4,-1.9 4,-2.9 -5,-0.2 -1,-0.2 0.922 110.7 48.1 -65.9 -44.7 30.3 -8.2 40.4 16 17 A D H X S+ 0 0 28 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.892 112.1 50.2 -66.0 -37.0 33.9 -6.9 40.7 17 18 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.949 114.2 43.9 -63.3 -49.1 33.9 -5.9 37.0 18 19 A R H X S+ 0 0 81 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.921 113.1 51.2 -64.4 -43.5 30.6 -4.0 37.3 19 20 A D H X S+ 0 0 68 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.894 115.5 40.2 -65.5 -41.6 31.5 -2.3 40.6 20 21 A S H >X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 3,-0.7 0.870 111.8 57.5 -74.2 -33.5 34.8 -1.0 39.3 21 22 A W H 3X S+ 0 0 13 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.892 95.4 64.9 -63.2 -36.4 33.3 -0.1 35.8 22 23 A K H 3< S+ 0 0 167 -4,-2.1 -1,-0.2 -5,-0.2 4,-0.2 0.880 112.7 35.8 -53.5 -36.5 30.8 2.1 37.6 23 24 A V H X< S+ 0 0 50 -4,-0.7 3,-1.4 -3,-0.7 4,-0.4 0.969 124.0 36.8 -83.9 -57.1 33.8 4.3 38.6 24 25 A I H >< S+ 0 0 7 -4,-2.5 3,-1.0 1,-0.3 7,-0.3 0.847 113.4 58.6 -71.1 -24.7 36.2 4.1 35.6 25 26 A G T 3< S+ 0 0 8 -4,-2.8 3,-0.5 -5,-0.3 -1,-0.3 0.624 87.6 76.4 -75.0 -12.5 33.4 4.1 33.0 26 27 A S T < S+ 0 0 98 -3,-1.4 2,-0.4 -5,-0.3 -1,-0.2 0.783 102.6 38.2 -72.4 -23.5 32.1 7.5 34.3 27 28 A D <> + 0 0 79 -3,-1.0 4,-2.5 -4,-0.4 5,-0.5 -0.665 67.5 164.9-128.4 84.7 35.0 9.3 32.5 28 29 A K H > S+ 0 0 33 -3,-0.5 4,-2.2 -2,-0.4 5,-0.3 0.934 77.2 46.8 -63.9 -45.7 35.5 7.5 29.2 29 30 A K H > S+ 0 0 60 3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.963 117.5 42.0 -62.3 -50.0 37.6 10.3 27.7 30 31 A G H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.946 122.6 35.8 -64.6 -52.2 39.8 10.8 30.7 31 32 A N H X S+ 0 0 14 -4,-2.5 4,-2.7 -7,-0.3 -1,-0.2 0.831 115.2 57.2 -74.2 -33.6 40.4 7.1 31.6 32 33 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.5 -2,-0.2 0.942 111.7 41.3 -60.8 -49.3 40.4 6.0 28.0 33 34 A V H X S+ 0 0 9 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.900 113.0 55.8 -67.4 -37.5 43.3 8.4 27.1 34 35 A A H X S+ 0 0 31 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.931 106.9 49.4 -58.6 -46.7 45.0 7.5 30.4 35 36 A L H X S+ 0 0 5 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.940 113.6 46.2 -56.6 -48.3 44.9 3.7 29.5 36 37 A M H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.934 112.4 47.4 -66.4 -46.3 46.4 4.4 26.1 37 38 A T H X S+ 0 0 48 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.901 112.1 51.6 -65.9 -34.4 49.2 6.8 27.2 38 39 A T H X S+ 0 0 31 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.922 109.0 51.6 -66.2 -38.8 50.2 4.3 30.0 39 40 A L H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.959 114.1 43.1 -59.8 -47.9 50.3 1.5 27.4 40 41 A F H < S+ 0 0 9 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.851 115.5 48.4 -68.8 -35.2 52.6 3.6 25.2 41 42 A A H < S+ 0 0 64 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.2 0.901 121.6 33.9 -70.8 -41.5 54.8 4.8 28.1 42 43 A D H < S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.726 129.5 34.8 -86.9 -22.8 55.3 1.3 29.6 43 44 A N >< + 0 0 33 -4,-2.4 3,-2.4 -5,-0.3 4,-0.3 -0.526 65.8 166.4-134.4 68.2 55.3 -0.7 26.3 44 45 A Q G > + 0 0 145 -3,-0.4 3,-1.3 1,-0.3 4,-0.4 0.767 69.5 70.8 -55.2 -31.6 57.0 1.6 23.8 45 46 A E G 3 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.627 91.7 60.3 -63.4 -12.0 57.5 -1.2 21.3 46 47 A T G X S+ 0 0 8 -3,-2.4 3,-1.6 -7,-0.2 4,-0.5 0.694 78.8 86.0 -90.4 -13.7 53.7 -1.2 20.7 47 48 A I G X S+ 0 0 56 -3,-1.3 3,-2.0 -4,-0.3 -1,-0.2 0.840 77.4 67.8 -57.1 -36.4 53.5 2.4 19.4 48 49 A G G > S+ 0 0 59 -4,-0.4 3,-1.2 1,-0.3 -1,-0.3 0.830 92.3 60.4 -52.3 -35.5 54.4 1.3 15.8 49 50 A Y G < S+ 0 0 99 -3,-1.6 3,-0.3 1,-0.3 -1,-0.3 0.755 101.7 55.1 -64.1 -23.2 51.0 -0.5 15.5 50 51 A F G X + 0 0 49 -3,-2.0 3,-1.8 -4,-0.5 4,-0.3 0.026 63.8 129.5-104.2 30.1 49.2 2.8 16.1 51 52 A K G X + 0 0 137 -3,-1.2 3,-1.7 1,-0.3 -1,-0.2 0.813 63.8 67.6 -58.1 -29.1 50.8 4.8 13.3 52 53 A R G 3 S+ 0 0 98 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.834 93.1 60.8 -60.7 -29.2 47.4 6.0 12.0 53 54 A L G < S- 0 0 4 -3,-1.8 12,-0.4 1,-0.2 -1,-0.3 0.595 97.0-148.5 -79.1 -4.4 46.9 8.1 15.2 54 55 A G < + 0 0 33 -3,-1.7 2,-1.4 -4,-0.3 -1,-0.2 -0.518 64.7 10.4 76.6-139.8 50.0 10.2 14.5 55 56 A D > - 0 0 89 -2,-0.2 3,-1.6 1,-0.2 4,-0.1 -0.545 61.1-177.9 -84.4 95.3 52.0 11.5 17.5 56 57 A V G > S+ 0 0 9 -2,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.687 71.3 79.4 -66.4 -14.7 50.6 9.7 20.5 57 58 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.811 81.3 69.6 -61.0 -27.4 52.9 11.7 22.9 58 59 A Q G X S- 0 0 108 -3,-1.6 3,-1.4 1,-0.2 -1,-0.3 0.655 82.0-178.0 -67.2 -17.7 50.5 14.5 22.6 59 60 A G G X + 0 0 9 -3,-1.9 3,-2.1 1,-0.3 7,-0.3 -0.264 65.2 9.0 62.0-134.1 47.8 12.6 24.6 60 61 A M G 3 S+ 0 0 82 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.718 125.8 63.8 -49.0 -31.1 44.4 14.3 25.0 61 62 A A G < S+ 0 0 75 -3,-1.4 2,-0.9 1,-0.1 -1,-0.3 0.736 82.9 85.9 -70.2 -25.1 45.5 17.0 22.5 62 63 A N <> - 0 0 11 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 -0.716 68.1-159.1 -84.0 111.6 45.7 14.5 19.7 63 64 A D H > S+ 0 0 86 -2,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.830 88.3 52.4 -62.4 -35.0 42.2 14.3 18.3 64 65 A K H > S+ 0 0 103 -11,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 110.9 47.7 -70.3 -39.5 42.7 10.9 16.7 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.934 112.2 49.7 -66.9 -40.5 44.0 9.4 19.9 66 67 A R H X S+ 0 0 25 -4,-2.5 4,-2.4 -7,-0.3 5,-0.2 0.940 111.8 47.8 -64.1 -45.0 41.0 10.9 21.8 67 68 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.946 114.2 47.5 -58.1 -48.4 38.5 9.5 19.3 68 69 A H H X S+ 0 0 34 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.920 111.8 50.6 -56.6 -48.1 40.2 6.1 19.5 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.898 108.9 49.0 -64.3 -42.6 40.2 6.1 23.3 70 71 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.951 112.7 48.9 -62.0 -47.1 36.5 7.0 23.7 71 72 A V H X S+ 0 0 22 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.905 107.5 55.0 -61.1 -40.1 35.5 4.3 21.3 72 73 A L H >X S+ 0 0 45 -4,-2.5 4,-1.9 1,-0.2 3,-0.6 0.929 106.0 52.5 -58.2 -42.8 37.8 1.7 23.1 73 74 A M H 3X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.836 105.5 53.9 -67.0 -29.9 35.9 2.6 26.4 74 75 A Y H 3X S+ 0 0 12 -4,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.790 103.6 56.5 -72.4 -25.1 32.6 1.9 24.6 75 76 A A H X S+ 0 0 12 -4,-2.4 3,-0.6 1,-0.2 4,-0.6 0.929 110.3 50.1 -56.6 -44.5 31.5 -6.2 27.3 80 81 A I H >< S+ 0 0 5 -4,-2.4 3,-1.2 1,-0.3 4,-0.3 0.926 109.5 51.6 -62.3 -41.3 30.1 -5.2 30.7 81 82 A D H 3< S+ 0 0 62 -4,-2.3 3,-0.4 1,-0.2 -1,-0.3 0.764 108.9 51.5 -69.4 -21.0 26.6 -5.0 29.3 82 83 A Q H X< S+ 0 0 23 -4,-1.4 3,-1.7 -3,-0.6 7,-0.6 0.463 76.9 100.6 -93.9 -0.0 26.9 -8.5 27.8 83 84 A L T << S+ 0 0 3 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 0.791 75.1 62.1 -57.2 -30.9 28.0 -10.3 31.0 84 85 A D T 3 S+ 0 0 127 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.801 109.3 41.4 -62.0 -31.2 24.5 -11.6 31.5 85 86 A N X> - 0 0 54 -3,-1.7 4,-2.4 1,-0.1 3,-0.9 -0.846 62.9-166.4-128.8 103.7 24.6 -13.6 28.3 86 87 A P H 3> S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.748 89.8 59.6 -56.8 -28.9 27.7 -15.5 27.3 87 88 A D H 3> S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.897 111.1 40.5 -69.9 -35.7 26.4 -16.0 23.7 88 89 A D H <> S+ 0 0 10 -3,-0.9 4,-2.0 2,-0.2 5,-0.2 0.899 113.2 53.5 -78.8 -37.7 26.2 -12.3 23.1 89 90 A L H X S+ 0 0 4 -4,-2.4 4,-2.6 -7,-0.6 5,-0.2 0.942 109.6 50.4 -60.2 -42.4 29.5 -11.6 25.0 90 91 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.919 108.2 50.0 -68.0 -38.2 31.2 -14.1 22.7 91 92 A C H X S+ 0 0 6 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.902 114.6 44.3 -71.3 -30.7 29.9 -12.6 19.4 92 93 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.927 113.4 51.8 -75.2 -37.2 31.0 -9.0 20.4 93 94 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.957 110.1 49.0 -58.0 -49.7 34.4 -10.4 21.6 94 95 A E H X S+ 0 0 64 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.889 107.7 55.0 -60.9 -32.7 34.9 -12.2 18.3 95 96 A K H X S+ 0 0 31 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.975 113.1 41.2 -64.3 -51.0 34.0 -8.9 16.4 96 97 A F H X S+ 0 0 31 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.853 109.3 60.6 -67.3 -28.2 36.7 -7.0 18.2 97 98 A A H >X S+ 0 0 2 -4,-2.6 4,-2.7 -5,-0.2 3,-0.9 0.952 102.4 51.9 -62.1 -43.2 39.1 -9.9 18.0 98 99 A V H 3X S+ 0 0 46 -4,-2.2 4,-2.4 1,-0.3 5,-0.3 0.907 102.8 59.1 -62.6 -39.3 38.9 -9.7 14.1 99 100 A N H 3< S+ 0 0 38 -4,-1.6 4,-0.4 1,-0.2 -1,-0.3 0.838 114.6 36.9 -56.4 -31.2 39.8 -5.9 14.4 100 101 A H H <<>S+ 0 0 61 -4,-1.2 5,-2.3 -3,-0.9 -2,-0.2 0.828 110.1 59.7 -92.0 -30.9 43.0 -6.9 16.1 101 102 A I H ><5S+ 0 0 77 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.935 105.3 50.8 -61.4 -42.1 43.7 -10.1 14.1 102 103 A T T 3<5S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.779 108.0 53.4 -67.4 -25.5 43.8 -7.9 10.9 103 104 A R T 3 5S- 0 0 128 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 0.295 118.0-115.9 -87.7 6.6 46.3 -5.6 12.7 104 105 A K T < 5 + 0 0 172 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.836 59.6 157.5 60.2 39.0 48.5 -8.7 13.4 105 106 A I < - 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