==== 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 3G4R . 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) . 13793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 86.2 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 . 69 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 57.6 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 90 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 124.6 38.3 -21.8 23.8 2 3 A V H > + 0 0 11 141,-0.3 4,-2.3 1,-0.2 5,-0.1 0.841 360.0 55.0 -64.3 -31.4 36.5 -18.5 24.0 3 4 A Y H > S+ 0 0 125 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.871 108.8 45.4 -70.6 -36.8 33.5 -20.4 25.4 4 5 A D H 4 S+ 0 0 114 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.868 112.9 52.0 -73.4 -34.2 35.6 -21.9 28.2 5 6 A A H >< S+ 0 0 18 -4,-2.2 3,-1.6 1,-0.2 4,-0.2 0.920 107.2 51.9 -65.9 -43.3 37.2 -18.5 28.9 6 7 A A H >< S+ 0 0 14 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.810 100.5 63.7 -62.4 -30.1 33.7 -16.9 29.2 7 8 A A T 3< S+ 0 0 68 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.636 89.3 69.7 -69.4 -14.0 32.8 -19.6 31.7 8 9 A Q T < S+ 0 0 107 -3,-1.6 2,-1.8 -4,-0.4 -1,-0.3 0.581 72.2 95.1 -79.6 -10.9 35.4 -18.2 34.0 9 10 A L < + 0 0 15 -3,-1.5 -1,-0.1 -4,-0.2 -3,-0.0 -0.597 63.5 178.3 -84.0 82.4 33.4 -15.1 34.6 10 11 A T > - 0 0 69 -2,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.153 46.1 -88.7 -76.8 175.5 31.7 -16.3 37.8 11 12 A A H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.893 127.8 47.8 -52.6 -46.8 29.2 -14.3 39.9 12 13 A D H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 112.3 48.7 -65.0 -40.1 31.9 -12.8 42.0 13 14 A V H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.930 110.8 50.2 -66.2 -45.6 34.0 -11.8 39.0 14 15 A K H X S+ 0 0 59 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.891 109.9 51.8 -60.3 -38.9 31.0 -10.2 37.2 15 16 A K H X S+ 0 0 110 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.924 109.7 48.1 -64.3 -45.0 30.2 -8.2 40.3 16 17 A D H X S+ 0 0 22 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.859 111.3 51.2 -65.2 -34.4 33.7 -6.9 40.6 17 18 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.941 113.7 44.2 -66.4 -46.7 33.7 -5.9 36.9 18 19 A R H X S+ 0 0 82 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.923 113.1 50.3 -63.6 -46.7 30.4 -4.1 37.3 19 20 A D H X S+ 0 0 50 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.894 115.3 41.8 -61.1 -43.1 31.3 -2.3 40.5 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 3,-0.5 0.860 111.8 55.7 -74.2 -34.1 34.6 -1.0 39.2 21 22 A W H 3X S+ 0 0 16 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.842 95.3 66.1 -66.6 -32.8 33.1 -0.1 35.8 22 23 A K H 3< S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.888 113.5 33.4 -54.8 -37.7 30.5 2.1 37.5 23 24 A V H X< S+ 0 0 58 -4,-0.7 3,-1.0 -3,-0.5 4,-0.2 0.938 123.9 41.2 -83.0 -53.2 33.4 4.3 38.6 24 25 A I H >< S+ 0 0 12 -4,-2.6 3,-1.5 1,-0.2 7,-0.3 0.903 112.3 54.6 -64.1 -42.5 35.8 4.0 35.7 25 26 A G G >< S+ 0 0 5 -4,-2.8 3,-0.5 1,-0.3 -1,-0.2 0.552 88.9 79.6 -70.3 -6.4 33.2 4.2 33.0 26 27 A S G < S+ 0 0 98 -3,-1.0 -1,-0.3 1,-0.3 2,-0.2 0.642 102.3 35.5 -74.7 -15.6 31.9 7.5 34.4 27 28 A D G <> + 0 0 75 -3,-1.5 4,-2.5 -4,-0.2 5,-0.4 -0.638 68.4 163.8-137.8 76.9 34.7 9.3 32.6 28 29 A K H <> S+ 0 0 34 -3,-0.5 4,-1.9 -2,-0.2 5,-0.3 0.885 76.7 48.0 -63.5 -41.3 35.4 7.5 29.4 29 30 A K H > S+ 0 0 64 2,-0.2 4,-2.0 3,-0.2 5,-0.2 0.960 116.9 41.2 -65.7 -51.2 37.4 10.3 27.8 30 31 A G H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.942 123.3 36.5 -63.6 -50.1 39.7 10.9 30.8 31 32 A N H X S+ 0 0 14 -4,-2.5 4,-2.2 -7,-0.3 -1,-0.2 0.789 114.0 57.2 -75.9 -27.7 40.2 7.2 31.7 32 33 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.4 -2,-0.2 0.931 110.9 42.6 -68.0 -44.2 40.3 6.0 28.1 33 34 A V H X S+ 0 0 9 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.881 112.5 54.8 -68.5 -36.2 43.2 8.4 27.3 34 35 A A H X S+ 0 0 32 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.908 107.4 50.7 -62.6 -40.7 44.9 7.5 30.6 35 36 A L H X S+ 0 0 11 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.935 114.2 43.6 -62.1 -46.4 44.7 3.8 29.6 36 37 A M H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.921 112.5 49.8 -67.6 -45.5 46.3 4.4 26.2 37 38 A T H X S+ 0 0 49 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.846 111.2 51.3 -63.7 -32.0 49.0 6.8 27.3 38 39 A T H X S+ 0 0 29 -4,-1.8 4,-2.6 -5,-0.3 5,-0.3 0.908 108.3 51.7 -70.4 -41.2 50.0 4.3 30.0 39 40 A L H X S+ 0 0 16 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.937 112.9 44.9 -58.8 -47.5 50.2 1.6 27.4 40 41 A F H < S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.825 114.4 49.5 -67.5 -32.3 52.5 3.7 25.2 41 42 A A H < S+ 0 0 65 -4,-1.8 3,-0.4 -5,-0.2 -2,-0.2 0.895 120.2 33.0 -75.1 -41.4 54.6 4.8 28.2 42 43 A D H < S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.626 129.3 36.3 -90.9 -14.8 55.2 1.3 29.7 43 44 A N >< + 0 0 28 -4,-1.8 3,-2.3 -5,-0.3 4,-0.3 -0.490 64.1 165.8-136.2 65.2 55.2 -0.6 26.4 44 45 A Q G > + 0 0 148 -3,-0.4 3,-1.3 1,-0.3 4,-0.4 0.727 69.3 72.8 -52.9 -26.3 56.9 1.7 23.9 45 46 A E G 3 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.551 90.9 58.7 -70.1 -5.4 57.3 -1.2 21.4 46 47 A T G X S+ 0 0 8 -3,-2.3 3,-1.3 -7,-0.2 4,-0.5 0.591 79.7 86.8 -97.3 -12.5 53.5 -1.2 20.7 47 48 A I G X S+ 0 0 60 -3,-1.3 3,-1.6 -4,-0.3 -1,-0.1 0.840 76.6 68.1 -56.2 -35.7 53.5 2.4 19.5 48 49 A G G > S+ 0 0 58 -4,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.826 91.9 60.2 -54.4 -34.5 54.3 1.3 15.9 49 50 A Y G < S+ 0 0 98 -3,-1.3 3,-0.3 1,-0.3 -1,-0.3 0.748 99.0 59.0 -65.4 -24.5 50.9 -0.4 15.6 50 51 A F G X + 0 0 48 -3,-1.6 3,-1.8 -4,-0.5 4,-0.4 -0.004 61.9 131.3 -98.1 29.7 49.2 2.9 16.2 51 52 A K G X + 0 0 179 -3,-1.1 3,-1.3 1,-0.3 -1,-0.2 0.783 65.3 64.5 -50.8 -34.0 50.7 4.8 13.2 52 53 A R G 3 S+ 0 0 99 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.807 94.0 60.6 -63.7 -29.0 47.3 6.1 12.1 53 54 A L G < S- 0 0 5 -3,-1.8 12,-0.3 1,-0.2 -1,-0.2 0.578 95.8-148.7 -77.3 -8.8 46.8 8.1 15.3 54 55 A G < + 0 0 51 -3,-1.3 2,-1.3 -4,-0.4 -1,-0.2 -0.559 63.9 9.7 81.0-141.5 49.9 10.2 14.7 55 56 A D > - 0 0 82 -2,-0.2 3,-1.6 1,-0.2 4,-0.1 -0.620 63.2-178.1 -80.7 93.1 51.9 11.6 17.6 56 57 A V G > S+ 0 0 13 -2,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.644 71.8 76.9 -67.0 -15.5 50.5 9.8 20.6 57 58 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.636 80.2 72.5 -70.9 -10.9 52.7 11.6 23.0 58 59 A Q G X S- 0 0 99 -3,-1.6 3,-1.7 1,-0.2 -1,-0.3 0.617 81.8-177.2 -77.0 -12.5 50.4 14.6 22.6 59 60 A G G X + 0 0 10 -3,-1.6 3,-1.8 1,-0.3 -1,-0.2 -0.255 63.5 8.4 56.9-127.6 47.8 12.7 24.6 60 61 A M G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.748 124.9 65.3 -57.9 -27.0 44.5 14.5 25.1 61 62 A A G < S+ 0 0 79 -3,-1.7 2,-0.8 4,-0.1 -1,-0.3 0.681 81.9 88.5 -71.3 -18.9 45.5 17.1 22.6 62 63 A N <> - 0 0 11 -3,-1.8 4,-2.4 1,-0.2 5,-0.2 -0.741 65.2-160.4 -85.0 109.8 45.6 14.5 19.8 63 64 A D H > S+ 0 0 88 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.861 89.9 50.6 -58.8 -40.5 42.1 14.4 18.3 64 65 A K H > S+ 0 0 112 -11,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 111.7 48.2 -66.7 -38.9 42.6 11.0 16.7 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.897 112.1 49.2 -67.4 -39.4 43.9 9.5 19.9 66 67 A R H X S+ 0 0 23 -4,-2.4 4,-2.5 -7,-0.2 5,-0.2 0.930 112.1 47.8 -66.1 -43.8 40.9 11.0 21.9 67 68 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.909 114.8 46.7 -62.2 -42.1 38.4 9.7 19.4 68 69 A H H X S+ 0 0 35 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.916 112.6 49.6 -64.5 -45.4 40.0 6.3 19.5 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.881 110.1 48.7 -64.6 -41.9 40.2 6.3 23.3 70 71 A I H X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 3,-0.3 0.946 112.4 49.9 -63.5 -46.1 36.6 7.2 23.9 71 72 A T H X S+ 0 0 22 -4,-1.9 4,-1.0 -5,-0.2 3,-0.4 0.873 104.8 57.5 -60.9 -38.1 35.5 4.5 21.4 72 73 A L H >X S+ 0 0 43 -4,-2.1 4,-1.5 1,-0.2 3,-0.8 0.902 102.7 55.2 -60.3 -39.0 37.6 1.9 23.1 73 74 A M H 3X S+ 0 0 5 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.820 103.1 55.3 -65.4 -28.5 35.7 2.6 26.4 74 75 A Y H 3X S+ 0 0 11 -4,-1.1 4,-1.8 -3,-0.4 -1,-0.3 0.728 101.6 57.9 -76.3 -19.1 32.5 1.9 24.6 75 76 A A H < S+ 0 0 13 -4,-2.2 3,-0.6 1,-0.2 4,-0.3 0.916 110.9 50.3 -55.2 -47.2 31.3 -6.2 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.913 108.2 52.6 -59.6 -43.2 29.9 -5.3 30.6 81 82 A D H 3< S+ 0 0 65 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.733 108.2 52.3 -66.5 -21.6 26.4 -5.0 29.2 82 83 A Q T X< S+ 0 0 20 -4,-1.2 3,-1.3 -3,-0.6 7,-0.5 0.394 75.9 102.4 -95.2 3.3 26.7 -8.5 27.7 83 84 A L T < S+ 0 0 7 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.778 74.8 60.9 -57.6 -27.5 27.8 -10.3 30.9 84 85 A D T 3 S+ 0 0 125 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.790 106.8 46.4 -70.5 -28.1 24.3 -11.7 31.5 85 86 A N X> - 0 0 55 -3,-1.3 4,-2.2 1,-0.1 3,-0.6 -0.895 64.2-165.5-123.0 103.8 24.3 -13.6 28.2 86 87 A P H 3> S+ 0 0 77 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.837 90.2 55.6 -52.3 -39.7 27.4 -15.7 27.3 87 88 A D H 3> S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.876 111.1 43.7 -64.8 -37.0 26.4 -16.2 23.7 88 89 A D H <> S+ 0 0 9 -3,-0.6 4,-1.6 2,-0.2 5,-0.2 0.853 111.7 53.3 -76.8 -34.6 26.1 -12.4 23.1 89 90 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 -7,-0.5 5,-0.2 0.942 109.6 50.0 -64.1 -44.5 29.3 -11.7 25.0 90 91 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.915 108.1 51.3 -61.4 -43.5 31.1 -14.2 22.7 91 92 A C H X S+ 0 0 5 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.842 113.3 44.4 -67.6 -29.2 29.8 -12.7 19.5 92 93 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.861 112.4 52.2 -80.6 -34.3 30.8 -9.2 20.4 93 94 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.926 109.2 50.4 -64.1 -41.6 34.2 -10.3 21.6 94 95 A E H X S+ 0 0 60 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.859 106.9 55.5 -65.2 -32.2 34.8 -12.2 18.3 95 96 A K H X S+ 0 0 34 -4,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.952 112.3 41.1 -64.5 -48.3 33.8 -9.0 16.5 96 97 A F H X S+ 0 0 34 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.814 107.9 62.1 -70.8 -27.8 36.5 -7.0 18.2 97 98 A A H >X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 3,-0.6 0.912 101.2 53.2 -62.3 -40.9 39.0 -9.8 18.0 98 99 A V H 3X S+ 0 0 43 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.896 101.6 59.0 -60.6 -40.6 38.8 -9.5 14.2 99 100 A N H 3< S+ 0 0 38 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 114.8 37.6 -57.6 -31.9 39.6 -5.8 14.4 100 101 A H H X<>S+ 0 0 64 -4,-1.1 5,-2.3 -3,-0.6 3,-0.6 0.793 109.2 58.8 -91.7 -31.4 42.8 -6.8 16.1 101 102 A I H ><5S+ 0 0 81 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.904 104.3 54.1 -63.2 -38.5 43.7 -10.0 14.1 102 103 A T T 3<5S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.704 106.3 52.8 -67.5 -19.3 43.7 -7.8 11.0 103 104 A R T < 5S- 0 0 126 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.266 119.3-112.6 -97.5 8.2 46.2 -5.5 12.7 104 105 A K T < 5 + 0 0 170 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.828 61.3 157.5 64.9 35.1 48.4 -8.5 13.5 105 106 A I < - 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