==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING 04-FEB-09 3G53 . COMPND 2 MOLECULE: GLOBIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR J.E.KNAPP,R.PAHL,J.COHEN,J.C.NICHOLS,K.SCHULTEN,Q.H.GIBSON, . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13712.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 85.9 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 57.9 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 2 1 1 0 0 0 2 0 0 0 2 3 3 0 0 2 0 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 91 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 120.9 38.4 -21.8 23.7 2 3 A V H > + 0 0 12 141,-0.3 4,-2.3 1,-0.2 5,-0.1 0.858 360.0 54.6 -61.8 -33.0 36.6 -18.5 23.9 3 4 A Y H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.882 107.2 47.4 -69.2 -39.3 33.7 -20.3 25.4 4 5 A D H 4 S+ 0 0 117 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.863 112.6 51.2 -69.6 -33.8 35.7 -21.9 28.2 5 6 A A H >< S+ 0 0 18 -4,-2.1 3,-1.6 1,-0.2 4,-0.2 0.914 107.5 51.3 -67.8 -43.2 37.3 -18.5 28.9 6 7 A A H >< S+ 0 0 10 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.821 101.3 63.9 -62.6 -30.6 33.8 -16.9 29.1 7 8 A A T 3< S+ 0 0 69 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.630 89.6 68.6 -68.5 -13.4 32.9 -19.6 31.6 8 9 A Q T < S+ 0 0 114 -3,-1.6 2,-1.8 -4,-0.3 -1,-0.3 0.584 72.5 96.0 -81.7 -11.0 35.5 -18.3 33.9 9 10 A L < + 0 0 14 -3,-1.6 -1,-0.1 -4,-0.2 -3,-0.0 -0.593 63.2 179.5 -82.7 83.0 33.5 -15.1 34.5 10 11 A T > - 0 0 72 -2,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.142 45.2 -90.0 -76.8 176.1 31.8 -16.3 37.7 11 12 A A H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.900 128.2 47.0 -53.8 -46.7 29.2 -14.4 39.8 12 13 A D H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 112.4 49.6 -65.8 -38.7 32.0 -12.8 42.0 13 14 A V H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.914 111.0 49.3 -67.0 -43.1 34.1 -11.9 38.9 14 15 A K H X S+ 0 0 58 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.886 109.4 52.5 -64.2 -38.0 31.1 -10.2 37.2 15 16 A K H X S+ 0 0 111 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.923 109.7 48.0 -64.6 -43.7 30.2 -8.3 40.3 16 17 A D H X S+ 0 0 24 -4,-1.9 4,-2.0 2,-0.2 5,-0.3 0.867 110.9 51.8 -65.4 -35.4 33.8 -6.9 40.6 17 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.944 113.9 43.2 -65.7 -46.5 33.8 -5.9 36.9 18 19 A R H X S+ 0 0 81 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.923 113.2 51.0 -64.9 -47.0 30.5 -4.0 37.3 19 20 A D H X S+ 0 0 54 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.913 116.2 40.2 -58.6 -46.3 31.4 -2.3 40.6 20 21 A S H >X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 3,-1.2 0.898 111.2 57.8 -71.8 -39.5 34.7 -1.0 39.3 21 22 A W H 3X S+ 0 0 19 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.836 94.2 66.5 -59.9 -31.9 33.2 -0.1 35.8 22 23 A K H 3< S+ 0 0 163 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.858 112.0 35.4 -56.9 -32.8 30.7 2.1 37.5 23 24 A V H X< S+ 0 0 59 -3,-1.2 3,-1.1 -4,-0.6 4,-0.3 0.940 123.2 38.0 -86.4 -55.8 33.6 4.3 38.5 24 25 A I H >< S+ 0 0 19 -4,-2.3 3,-1.0 1,-0.2 7,-0.2 0.841 113.7 56.6 -68.5 -31.6 36.1 4.1 35.6 25 26 A G T 3< S+ 0 0 4 -4,-2.5 3,-0.5 -5,-0.3 -1,-0.2 0.569 88.9 77.2 -76.3 -7.2 33.4 4.1 33.0 26 27 A S T < S+ 0 0 97 -3,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.692 101.5 38.5 -75.0 -19.8 32.0 7.4 34.3 27 28 A D <> + 0 0 76 -3,-1.0 4,-2.7 -4,-0.3 5,-0.4 -0.652 68.3 164.4-131.3 75.8 34.9 9.3 32.6 28 29 A K H > S+ 0 0 38 -3,-0.5 4,-1.7 -2,-0.3 5,-0.3 0.869 76.3 47.0 -62.0 -40.8 35.5 7.6 29.3 29 30 A K H > S+ 0 0 62 2,-0.2 4,-2.0 3,-0.2 5,-0.2 0.965 117.8 41.6 -67.3 -50.4 37.5 10.4 27.7 30 31 A G H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.948 123.0 36.2 -62.2 -52.6 39.7 10.9 30.7 31 32 A N H X S+ 0 0 9 -4,-2.7 4,-2.3 -7,-0.2 -1,-0.2 0.782 114.1 57.6 -74.1 -27.4 40.3 7.2 31.6 32 33 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.4 -1,-0.2 0.938 110.4 42.7 -67.9 -45.6 40.4 6.1 28.0 33 34 A V H X S+ 0 0 9 -4,-2.0 4,-3.0 -5,-0.3 5,-0.3 0.884 112.6 54.7 -67.0 -36.9 43.3 8.4 27.2 34 35 A A H X S+ 0 0 29 -4,-1.7 4,-2.1 -5,-0.2 5,-0.2 0.927 106.4 52.1 -61.5 -43.9 45.0 7.5 30.5 35 36 A L H X S+ 0 0 12 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.951 114.4 41.9 -56.7 -51.1 44.8 3.8 29.5 36 37 A M H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.904 112.3 51.4 -65.5 -44.9 46.4 4.5 26.1 37 38 A T H X S+ 0 0 49 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.863 111.2 50.2 -62.4 -33.5 49.1 6.9 27.3 38 39 A T H X S+ 0 0 29 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.915 108.5 52.0 -70.0 -42.3 50.1 4.4 29.9 39 40 A L H X S+ 0 0 16 -4,-2.0 4,-2.1 -5,-0.2 7,-0.2 0.941 113.1 44.5 -58.2 -47.7 50.3 1.6 27.3 40 41 A F H < S+ 0 0 11 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.860 115.8 47.0 -66.2 -36.9 52.6 3.7 25.2 41 42 A A H < S+ 0 0 69 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.915 120.0 36.8 -71.8 -43.9 54.7 4.8 28.1 42 43 A D H < S+ 0 0 74 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.719 129.8 31.8 -81.7 -24.2 55.2 1.4 29.6 43 44 A N >< + 0 0 36 -4,-2.1 3,-2.3 -5,-0.3 4,-0.4 -0.539 63.7 168.8-134.8 69.9 55.4 -0.5 26.3 44 45 A Q G > S+ 0 0 151 -3,-0.4 3,-1.3 1,-0.3 4,-0.4 0.740 71.1 73.6 -51.9 -27.9 57.0 1.7 23.8 45 46 A E G 3 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.550 90.7 58.1 -67.9 -6.4 57.4 -1.2 21.4 46 47 A T G X> S+ 0 0 8 -3,-2.3 3,-1.5 -7,-0.2 4,-0.5 0.631 80.1 86.7 -96.2 -16.2 53.6 -1.1 20.7 47 48 A I G X4 S+ 0 0 62 -3,-1.3 3,-1.6 -4,-0.4 -2,-0.1 0.828 76.8 68.5 -52.7 -36.4 53.5 2.5 19.4 48 49 A G G >4 S+ 0 0 55 -4,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.814 91.4 60.2 -54.3 -34.5 54.4 1.3 15.9 49 50 A Y G <4 S+ 0 0 99 -3,-1.5 3,-0.4 1,-0.3 -1,-0.3 0.760 98.6 59.7 -65.3 -25.8 51.0 -0.3 15.5 50 51 A F G X< + 0 0 48 -3,-1.6 3,-1.5 -4,-0.5 4,-0.3 -0.058 61.4 132.1 -97.6 33.5 49.2 3.0 16.1 51 52 A K G X + 0 0 180 -3,-1.0 3,-1.5 1,-0.3 -1,-0.2 0.810 65.8 63.6 -51.6 -36.9 50.8 4.8 13.1 52 53 A R G 3 S+ 0 0 96 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.794 93.8 61.8 -62.2 -28.9 47.3 6.1 12.0 53 54 A L G < S- 0 0 5 -3,-1.5 12,-0.3 1,-0.2 -1,-0.3 0.541 94.3-149.5 -77.8 -6.0 46.9 8.1 15.2 54 55 A G < + 0 0 52 -3,-1.5 2,-1.3 -4,-0.3 -1,-0.2 -0.511 64.9 10.4 76.7-141.1 50.0 10.3 14.6 55 56 A D > - 0 0 78 -2,-0.2 3,-1.5 1,-0.2 4,-0.1 -0.616 62.9-179.3 -79.6 94.8 52.0 11.7 17.5 56 57 A V G > S+ 0 0 13 -2,-1.3 3,-1.5 1,-0.3 -1,-0.2 0.638 72.1 76.7 -69.1 -14.5 50.5 9.8 20.5 57 58 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.700 81.6 70.2 -69.6 -17.1 52.8 11.6 22.9 58 59 A Q G X S- 0 0 98 -3,-1.5 3,-1.9 1,-0.2 -1,-0.3 0.601 81.9-178.4 -74.5 -12.3 50.5 14.6 22.6 59 60 A G G X + 0 0 9 -3,-1.5 3,-2.1 1,-0.3 7,-0.2 -0.211 64.1 10.6 54.4-127.9 47.9 12.7 24.5 60 61 A M G 3 S+ 0 0 85 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.722 124.4 64.8 -55.4 -25.3 44.6 14.5 25.0 61 62 A A G < S+ 0 0 79 -3,-1.9 2,-0.8 4,-0.0 -1,-0.3 0.684 82.9 87.9 -73.7 -18.6 45.6 17.2 22.5 62 63 A N <> - 0 0 12 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 -0.744 65.1-160.9 -85.8 110.1 45.7 14.6 19.7 63 64 A D H > S+ 0 0 88 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.861 89.9 51.3 -59.8 -39.3 42.2 14.4 18.2 64 65 A K H > S+ 0 0 112 -11,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 111.5 47.8 -67.1 -37.9 42.7 11.0 16.6 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.895 111.7 50.0 -69.2 -39.5 43.9 9.6 19.9 66 67 A R H X S+ 0 0 19 -4,-2.4 4,-2.4 -7,-0.2 5,-0.2 0.932 111.7 47.8 -65.3 -43.7 41.0 11.1 21.8 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.893 114.6 46.7 -62.9 -40.4 38.5 9.7 19.3 68 69 A H H X S+ 0 0 37 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.933 112.5 50.2 -65.2 -47.7 40.1 6.3 19.5 69 70 A S H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.866 110.0 48.4 -61.0 -42.2 40.3 6.3 23.2 70 71 A I H X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.934 112.5 49.8 -64.7 -44.6 36.7 7.2 23.8 71 72 A T H >X S+ 0 0 22 -4,-1.8 4,-1.0 -5,-0.2 3,-0.5 0.877 104.9 57.3 -62.4 -37.9 35.6 4.5 21.3 72 73 A L H >X S+ 0 0 43 -4,-2.3 4,-1.5 1,-0.2 3,-0.8 0.893 102.7 55.6 -60.1 -38.5 37.7 1.9 23.1 73 74 A M H 3X S+ 0 0 4 -4,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.803 102.9 55.1 -65.6 -28.2 35.8 2.7 26.3 74 75 A Y H < S+ 0 0 14 -4,-2.2 3,-0.7 1,-0.2 4,-0.4 0.922 110.9 50.1 -54.7 -48.3 31.5 -6.2 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.6 3,-1.3 1,-0.2 4,-0.2 0.906 108.3 52.3 -59.3 -42.8 30.1 -5.3 30.5 81 82 A D H 3< S+ 0 0 64 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.717 108.1 53.3 -67.6 -19.6 26.5 -5.1 29.2 82 83 A Q T X< S+ 0 0 22 -4,-1.2 3,-1.0 -3,-0.7 7,-0.5 0.418 76.1 100.9 -95.4 1.3 26.8 -8.6 27.7 83 84 A L T < S+ 0 0 7 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.799 75.2 60.3 -57.1 -31.1 27.9 -10.3 30.8 84 85 A D T 3 S+ 0 0 125 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.843 108.1 45.3 -65.9 -33.8 24.4 -11.7 31.5 85 86 A N X> - 0 0 56 -3,-1.0 4,-2.2 1,-0.1 3,-0.8 -0.888 64.2-167.5-118.6 103.5 24.4 -13.7 28.2 86 87 A P H 3> S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.795 88.7 58.4 -57.1 -31.7 27.6 -15.6 27.3 87 88 A D H 3> S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.870 111.0 41.9 -68.4 -35.1 26.5 -16.2 23.7 88 89 A D H <> S+ 0 0 9 -3,-0.8 4,-1.6 -6,-0.2 5,-0.2 0.840 111.5 54.9 -79.9 -33.7 26.2 -12.5 23.1 89 90 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 -7,-0.5 5,-0.2 0.943 108.9 50.0 -63.0 -44.0 29.4 -11.7 25.0 90 91 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.917 108.0 50.7 -61.6 -44.6 31.2 -14.2 22.7 91 92 A C H X S+ 0 0 5 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.817 113.6 45.0 -67.4 -27.9 29.9 -12.7 19.4 92 93 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.862 112.0 52.2 -81.4 -35.1 30.9 -9.2 20.4 93 94 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.919 109.3 49.9 -64.3 -40.9 34.4 -10.3 21.6 94 95 A E H X S+ 0 0 58 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.821 106.4 56.9 -67.5 -28.5 34.9 -12.1 18.3 95 96 A K H X S+ 0 0 35 -4,-0.9 4,-1.1 -5,-0.2 -1,-0.2 0.944 112.3 40.0 -66.9 -46.4 34.0 -9.0 16.4 96 97 A F H X S+ 0 0 34 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.801 108.8 62.1 -73.2 -26.9 36.6 -6.9 18.2 97 98 A A H >X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 3,-0.7 0.923 101.5 52.4 -63.0 -42.6 39.1 -9.8 17.9 98 99 A V H 3X S+ 0 0 44 -4,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.880 102.1 59.7 -60.2 -38.1 38.9 -9.6 14.2 99 100 A N H 3< S+ 0 0 39 -4,-1.1 -1,-0.3 1,-0.2 4,-0.2 0.817 114.2 37.3 -59.4 -31.3 39.7 -5.8 14.4 100 101 A H H <<>S+ 0 0 64 -4,-1.1 5,-2.4 -3,-0.7 3,-0.4 0.777 109.1 59.6 -93.2 -29.2 43.0 -6.8 16.1 101 102 A I H ><5S+ 0 0 80 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.890 104.3 53.0 -64.9 -36.8 43.8 -9.9 14.1 102 103 A T T 3<5S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.742 106.3 53.9 -68.9 -22.4 43.8 -7.8 10.9 103 104 A R T 3 5S- 0 0 129 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.2 0.317 119.2-112.9 -92.3 5.3 46.3 -5.5 12.7 104 105 A K T < 5 + 0 0 168 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.836 61.7 156.9 66.8 35.4 48.6 -8.4 13.4 105 106 A I < - 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