==== 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 3G52 . 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) . 13722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 86.6 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 . 68 23.4 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 2 1 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 92 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 117.3 38.4 -21.7 23.6 2 3 A V H > + 0 0 13 141,-0.3 4,-2.3 1,-0.2 5,-0.1 0.859 360.0 54.5 -61.7 -34.1 36.6 -18.4 23.9 3 4 A Y H > S+ 0 0 117 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.877 108.1 47.0 -68.4 -37.9 33.6 -20.3 25.4 4 5 A D H 4 S+ 0 0 112 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.873 112.5 51.3 -70.6 -35.4 35.7 -21.9 28.1 5 6 A A H >< S+ 0 0 18 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.906 108.1 51.2 -66.6 -41.4 37.3 -18.5 28.8 6 7 A A H >< S+ 0 0 11 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.828 101.5 63.1 -64.3 -31.1 33.8 -16.9 29.1 7 8 A A T 3< S+ 0 0 65 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.686 89.7 69.0 -67.3 -18.2 32.9 -19.6 31.5 8 9 A Q T < S+ 0 0 108 -3,-1.2 2,-1.8 -4,-0.5 -1,-0.3 0.569 72.8 96.1 -77.2 -9.1 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 -0.585 62.9 179.1 -84.3 80.2 33.5 -15.2 34.5 10 11 A T > - 0 0 72 -2,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.139 45.6 -90.5 -74.7 174.0 31.8 -16.3 37.7 11 12 A A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.890 127.2 49.1 -53.0 -45.3 29.3 -14.4 39.8 12 13 A D H > S+ 0 0 126 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 112.1 47.8 -64.6 -40.5 32.1 -12.8 41.9 13 14 A V H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.923 110.8 51.0 -66.9 -45.0 34.1 -11.8 38.9 14 15 A K H X S+ 0 0 59 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.893 108.7 52.5 -60.5 -38.9 31.1 -10.2 37.2 15 16 A K H X S+ 0 0 113 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.923 109.6 47.9 -63.8 -44.2 30.3 -8.2 40.3 16 17 A D H X S+ 0 0 23 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.860 111.1 51.7 -65.2 -35.1 33.8 -6.8 40.5 17 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.946 113.5 43.7 -65.6 -47.4 33.8 -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 0.917 113.1 51.2 -64.0 -45.2 30.5 -4.1 37.2 19 20 A D H X S+ 0 0 55 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.909 115.0 41.3 -61.1 -44.5 31.4 -2.3 40.5 20 21 A S H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 3,-0.5 0.865 111.8 56.5 -72.8 -34.5 34.7 -1.0 39.1 21 22 A W H X S+ 0 0 18 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.848 96.1 64.1 -65.7 -33.9 33.2 -0.1 35.7 22 23 A K H < S+ 0 0 164 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.886 113.3 35.3 -56.4 -37.1 30.6 2.1 37.4 23 24 A V H >< S+ 0 0 66 -4,-0.7 3,-1.1 -3,-0.5 4,-0.3 0.956 124.2 37.7 -81.6 -56.9 33.4 4.3 38.6 24 25 A I H >< S+ 0 0 19 -4,-2.5 3,-1.4 1,-0.2 7,-0.3 0.870 112.9 57.9 -65.8 -36.5 35.9 4.2 35.7 25 26 A G G >< S+ 0 0 5 -4,-2.6 3,-0.5 -5,-0.3 -1,-0.2 0.607 87.7 78.2 -70.3 -9.7 33.2 4.2 33.0 26 27 A S G < S+ 0 0 99 -3,-1.1 -1,-0.3 1,-0.3 2,-0.2 0.688 102.3 36.3 -71.9 -19.2 31.9 7.5 34.4 27 28 A D G <> + 0 0 74 -3,-1.4 4,-2.5 -4,-0.3 5,-0.4 -0.672 68.4 164.8-134.3 78.0 34.7 9.4 32.6 28 29 A K H <> S+ 0 0 36 -3,-0.5 4,-1.9 -2,-0.2 5,-0.3 0.886 76.4 48.3 -63.3 -41.8 35.4 7.6 29.3 29 30 A K H > S+ 0 0 61 2,-0.2 4,-2.0 3,-0.2 5,-0.2 0.960 117.0 41.0 -65.4 -50.3 37.4 10.4 27.8 30 31 A G H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.935 122.9 37.0 -64.7 -49.1 39.7 10.9 30.8 31 32 A N H X S+ 0 0 11 -4,-2.5 4,-2.1 -7,-0.3 -1,-0.2 0.799 114.4 56.4 -75.8 -28.5 40.2 7.3 31.7 32 33 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.4 -2,-0.2 0.936 111.3 42.5 -67.2 -45.4 40.3 6.1 28.1 33 34 A V H X S+ 0 0 10 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.883 112.1 55.5 -67.6 -36.6 43.1 8.5 27.3 34 35 A A H X S+ 0 0 29 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.908 107.2 49.9 -61.8 -41.6 44.9 7.6 30.5 35 36 A L H X S+ 0 0 16 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.934 113.9 44.7 -62.6 -46.8 44.8 3.9 29.6 36 37 A M H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.918 112.3 49.6 -65.5 -46.2 46.3 4.6 26.2 37 38 A T H X S+ 0 0 48 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.853 111.4 50.9 -63.6 -32.2 49.0 7.0 27.3 38 39 A T H X S+ 0 0 30 -4,-1.8 4,-2.7 -5,-0.3 5,-0.3 0.910 108.6 51.5 -70.4 -41.0 50.0 4.5 30.0 39 40 A L H X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.941 114.0 43.6 -59.3 -47.5 50.2 1.7 27.4 40 41 A F H < S+ 0 0 10 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.859 114.7 50.1 -66.6 -36.9 52.5 3.8 25.2 41 42 A A H < S+ 0 0 69 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.912 120.5 32.7 -69.0 -44.2 54.6 5.0 28.1 42 43 A D H < S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.694 128.6 36.7 -87.7 -21.5 55.3 1.6 29.6 43 44 A N >< + 0 0 34 -4,-2.2 3,-2.4 -5,-0.3 4,-0.4 -0.528 62.6 167.0-131.3 67.7 55.3 -0.4 26.3 44 45 A Q G > S+ 0 0 147 -3,-0.4 3,-1.3 1,-0.3 4,-0.4 0.739 70.3 72.9 -51.9 -27.5 56.9 1.8 23.7 45 46 A E G 3 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.554 91.5 57.4 -69.0 -5.8 57.3 -1.1 21.4 46 47 A T G X S+ 0 0 8 -3,-2.4 3,-1.4 -7,-0.2 4,-0.5 0.602 81.1 85.8 -97.7 -14.4 53.5 -1.1 20.7 47 48 A I G X S+ 0 0 62 -3,-1.3 3,-1.8 -4,-0.4 -2,-0.1 0.849 76.7 68.8 -54.7 -38.1 53.4 2.5 19.4 48 49 A G G > S+ 0 0 56 -4,-0.4 3,-1.0 1,-0.3 -1,-0.3 0.806 91.7 60.4 -52.4 -33.3 54.3 1.4 15.9 49 50 A Y G < S+ 0 0 99 -3,-1.4 3,-0.4 1,-0.3 -1,-0.3 0.755 98.6 58.4 -66.5 -25.8 50.9 -0.2 15.6 50 51 A F G X + 0 0 48 -3,-1.8 3,-1.7 -4,-0.5 4,-0.4 -0.020 62.3 132.1 -97.7 31.1 49.1 3.1 16.1 51 52 A K G X + 0 0 180 -3,-1.0 3,-1.3 1,-0.3 -1,-0.2 0.797 65.8 63.5 -50.5 -35.1 50.7 4.9 13.2 52 53 A R G 3 S+ 0 0 97 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.806 93.9 61.4 -63.2 -29.9 47.3 6.2 12.0 53 54 A L G < S- 0 0 6 -3,-1.7 12,-0.3 1,-0.2 2,-0.3 0.594 95.5-149.4 -75.1 -10.5 46.8 8.2 15.2 54 55 A G < + 0 0 52 -3,-1.3 2,-1.3 -4,-0.4 -1,-0.2 -0.576 64.0 10.9 81.4-139.9 49.9 10.3 14.6 55 56 A D > - 0 0 82 -2,-0.3 3,-1.5 1,-0.2 4,-0.1 -0.623 63.1-179.4 -81.0 93.5 51.9 11.7 17.5 56 57 A V G > S+ 0 0 13 -2,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.631 71.5 77.4 -68.5 -14.7 50.4 9.8 20.5 57 58 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.655 80.9 71.6 -70.0 -12.9 52.8 11.7 22.9 58 59 A Q G X S- 0 0 100 -3,-1.5 3,-1.8 1,-0.2 -1,-0.3 0.631 81.3-177.9 -76.0 -14.7 50.4 14.6 22.5 59 60 A G G X + 0 0 9 -3,-1.6 3,-2.1 1,-0.3 7,-0.2 -0.253 64.4 8.4 57.0-129.7 47.8 12.7 24.6 60 61 A M G 3 S+ 0 0 84 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.740 124.9 65.2 -55.4 -27.4 44.5 14.5 25.0 61 62 A A G < S+ 0 0 77 -3,-1.8 2,-0.8 4,-0.1 -1,-0.3 0.650 82.5 88.2 -72.1 -16.3 45.6 17.2 22.5 62 63 A N <> - 0 0 12 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 -0.770 65.5-160.6 -87.4 109.6 45.6 14.6 19.7 63 64 A D H > S+ 0 0 90 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.867 90.0 50.6 -58.7 -40.7 42.1 14.5 18.3 64 65 A K H > S+ 0 0 110 -11,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 111.8 47.9 -66.5 -38.2 42.6 11.1 16.6 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.903 111.6 50.3 -68.7 -39.8 43.8 9.6 19.9 66 67 A R H X S+ 0 0 23 -4,-2.5 4,-2.4 -7,-0.2 5,-0.2 0.921 112.0 47.1 -64.7 -42.6 40.9 11.2 21.8 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.887 114.5 47.4 -65.1 -39.2 38.4 9.8 19.4 68 69 A H H X S+ 0 0 37 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.927 112.5 49.6 -66.4 -45.5 40.1 6.4 19.5 69 70 A S H X S+ 0 0 0 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.886 110.7 47.8 -63.2 -43.0 40.2 6.4 23.3 70 71 A I H X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.2 3,-0.3 0.940 112.7 49.9 -63.7 -45.7 36.6 7.3 23.8 71 72 A T H >X S+ 0 0 21 -4,-1.9 4,-0.9 1,-0.2 3,-0.6 0.872 104.5 58.3 -60.9 -37.8 35.5 4.6 21.3 72 73 A L H >X S+ 0 0 42 -4,-2.2 4,-1.4 1,-0.2 3,-0.8 0.886 101.4 56.0 -60.1 -38.2 37.6 2.0 23.1 73 74 A M H 3X S+ 0 0 5 -4,-1.4 4,-1.8 -3,-0.3 -1,-0.2 0.801 102.0 56.0 -66.3 -27.5 35.7 2.7 26.3 74 75 A Y H < S+ 0 0 14 -4,-2.1 3,-0.7 1,-0.2 4,-0.4 0.915 111.0 50.4 -56.1 -46.8 31.3 -6.3 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.4 3,-1.3 1,-0.3 4,-0.2 0.909 108.3 52.6 -59.8 -42.9 29.9 -5.3 30.5 81 82 A D H 3< S+ 0 0 66 -4,-2.4 3,-0.3 1,-0.2 -1,-0.3 0.711 108.3 52.2 -67.6 -19.1 26.4 -5.1 29.1 82 83 A Q T X< S+ 0 0 22 -4,-1.1 3,-1.1 -3,-0.7 7,-0.5 0.396 76.1 102.3 -97.1 2.8 26.7 -8.6 27.6 83 84 A L T < S+ 0 0 8 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.787 75.0 60.3 -56.9 -29.5 27.9 -10.4 30.8 84 85 A D T 3 S+ 0 0 125 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.807 107.6 45.3 -69.1 -30.3 24.4 -11.8 31.4 85 86 A N X> - 0 0 57 -3,-1.1 4,-2.3 1,-0.1 3,-0.8 -0.891 63.6-167.0-121.7 102.7 24.4 -13.8 28.1 86 87 A P H 3> S+ 0 0 70 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.809 89.5 58.4 -55.0 -33.5 27.6 -15.7 27.2 87 88 A D H 3> S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.884 111.2 40.6 -66.6 -37.2 26.4 -16.2 23.6 88 89 A D H <> S+ 0 0 10 -3,-0.8 4,-1.6 2,-0.2 5,-0.2 0.848 112.7 54.6 -79.2 -34.3 26.1 -12.5 23.0 89 90 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 -7,-0.5 3,-0.2 0.943 109.1 49.7 -62.6 -45.4 29.3 -11.7 24.9 90 91 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.916 108.1 51.2 -61.3 -44.1 31.2 -14.2 22.7 91 92 A C H X S+ 0 0 6 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.813 113.3 44.9 -67.3 -27.2 29.9 -12.7 19.4 92 93 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 -3,-0.2 -1,-0.2 0.833 112.2 52.1 -82.9 -32.5 30.8 -9.2 20.3 93 94 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.934 110.1 49.0 -65.9 -43.0 34.3 -10.3 21.6 94 95 A E H X S+ 0 0 67 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.853 106.9 55.9 -65.4 -33.1 34.9 -12.1 18.3 95 96 A K H X S+ 0 0 32 -4,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.940 113.3 40.5 -63.8 -46.0 33.8 -9.0 16.3 96 97 A F H X S+ 0 0 34 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.814 107.8 62.3 -72.8 -28.1 36.4 -7.0 18.1 97 98 A A H >X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 3,-0.7 0.922 101.0 53.4 -62.7 -40.9 39.0 -9.8 17.9 98 99 A V H 3X S+ 0 0 43 -4,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.876 101.4 59.4 -59.8 -38.6 38.8 -9.5 14.1 99 100 A N H 3< S+ 0 0 37 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.824 113.9 37.8 -60.0 -31.9 39.6 -5.8 14.3 100 101 A H H X<>S+ 0 0 68 -4,-1.2 5,-2.4 -3,-0.7 3,-0.5 0.781 109.6 59.3 -90.7 -30.2 42.8 -6.7 16.1 101 102 A I H ><5S+ 0 0 78 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.904 103.9 53.1 -64.0 -39.2 43.7 -9.8 14.1 102 103 A T T 3<5S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.699 106.2 54.2 -68.2 -19.0 43.7 -7.6 10.9 103 104 A R T < 5S- 0 0 128 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.304 119.3-113.1 -95.3 5.7 46.1 -5.3 12.7 104 105 A K T < 5 + 0 0 168 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.815 61.6 156.6 66.8 33.7 48.4 -8.3 13.4 105 106 A I < - 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