==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING 04-FEB-09 3G4Y . 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,V . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13758.0 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 . 10 3.4 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 . 166 57.2 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 1 1 0 0 0 2 4 2 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 92 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 114.6 38.5 -21.7 23.6 2 3 A V H > + 0 0 14 141,-0.3 4,-2.4 1,-0.2 5,-0.2 0.862 360.0 55.5 -59.2 -34.7 36.6 -18.4 23.9 3 4 A Y H > S+ 0 0 120 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.876 107.8 46.0 -67.7 -37.7 33.7 -20.4 25.4 4 5 A D H 4 S+ 0 0 112 -3,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.864 112.9 52.0 -72.3 -33.5 35.8 -21.9 28.2 5 6 A A H >< S+ 0 0 17 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.909 107.1 51.6 -66.9 -42.4 37.3 -18.5 28.9 6 7 A A H >< S+ 0 0 10 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.821 100.9 63.8 -63.4 -30.5 33.9 -16.9 29.1 7 8 A A T 3< S+ 0 0 66 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.651 89.3 69.1 -68.3 -15.1 32.9 -19.6 31.6 8 9 A Q T < S+ 0 0 110 -3,-1.5 2,-1.8 -4,-0.4 -1,-0.3 0.571 72.5 95.3 -79.8 -10.1 35.6 -18.3 34.0 9 10 A L < + 0 0 15 -3,-1.6 -1,-0.1 -4,-0.2 -3,-0.0 -0.593 63.4 178.6 -84.0 80.8 33.5 -15.1 34.5 10 11 A T > - 0 0 70 -2,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.132 46.1 -89.6 -75.3 175.6 31.9 -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 0.892 127.7 48.6 -53.8 -45.1 29.4 -14.4 39.9 12 13 A D H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 112.3 47.8 -64.9 -41.5 32.2 -12.9 42.0 13 14 A V H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.912 110.8 51.0 -66.6 -43.4 34.2 -11.8 38.9 14 15 A K H X S+ 0 0 57 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.899 109.2 51.9 -61.8 -39.4 31.2 -10.3 37.2 15 16 A K H X S+ 0 0 111 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.923 109.9 48.0 -63.6 -44.2 30.4 -8.3 40.3 16 17 A D H X S+ 0 0 22 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.875 111.3 51.2 -64.8 -37.3 33.9 -6.9 40.6 17 18 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.950 114.0 43.8 -63.7 -48.3 33.9 -6.0 36.9 18 19 A R H X S+ 0 0 81 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.918 112.8 50.8 -63.6 -45.6 30.6 -4.1 37.3 19 20 A D H X S+ 0 0 59 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.889 115.4 41.6 -61.5 -41.7 31.5 -2.4 40.5 20 21 A S H >X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 3,-0.7 0.870 111.7 55.8 -74.8 -36.2 34.8 -1.0 39.2 21 22 A W H 3X S+ 0 0 19 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.830 96.0 65.7 -65.1 -31.6 33.3 -0.1 35.8 22 23 A K H 3< S+ 0 0 170 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.873 112.7 34.5 -57.2 -35.9 30.7 2.1 37.5 23 24 A V H X< S+ 0 0 58 -3,-0.7 3,-0.8 -4,-0.6 -2,-0.2 0.939 124.7 37.3 -84.1 -55.9 33.5 4.3 38.6 24 25 A I H >< S+ 0 0 16 -4,-2.4 3,-1.3 1,-0.2 7,-0.3 0.841 113.1 57.6 -69.2 -32.7 36.0 4.2 35.7 25 26 A G G >< S+ 0 0 4 -4,-2.6 3,-0.5 -5,-0.3 -1,-0.2 0.605 88.8 77.0 -73.5 -9.3 33.3 4.1 33.0 26 27 A S G < S+ 0 0 99 -3,-0.8 -1,-0.2 1,-0.3 2,-0.2 0.644 102.3 37.6 -74.2 -15.2 31.9 7.4 34.4 27 28 A D G <> + 0 0 72 -3,-1.3 4,-2.6 -4,-0.2 5,-0.4 -0.619 68.1 163.5-136.1 74.6 34.8 9.2 32.7 28 29 A K H <> S+ 0 0 34 -3,-0.5 4,-1.7 1,-0.2 5,-0.2 0.874 76.4 48.5 -61.8 -40.2 35.4 7.5 29.4 29 30 A K H > S+ 0 0 63 2,-0.2 4,-2.0 3,-0.2 5,-0.2 0.966 116.6 41.1 -66.5 -51.5 37.4 10.3 27.9 30 31 A G H > S+ 0 0 22 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.936 122.9 36.7 -63.0 -50.5 39.7 10.8 30.8 31 32 A N H X S+ 0 0 16 -4,-2.6 4,-2.1 -7,-0.3 -1,-0.2 0.776 113.9 57.6 -75.7 -26.5 40.3 7.2 31.7 32 33 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.4 -2,-0.2 0.934 110.9 41.7 -68.2 -46.1 40.4 6.0 28.1 33 34 A V H X S+ 0 0 9 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.872 112.7 56.0 -67.6 -36.2 43.3 8.4 27.3 34 35 A A H X S+ 0 0 30 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.913 107.0 49.6 -61.5 -42.8 44.9 7.5 30.6 35 36 A L H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.920 114.2 44.6 -62.3 -44.9 44.9 3.8 29.6 36 37 A M H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.930 112.1 49.8 -67.4 -46.9 46.4 4.5 26.2 37 38 A T H X S+ 0 0 49 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.853 111.6 50.5 -61.4 -34.4 49.1 6.9 27.3 38 39 A T H X S+ 0 0 29 -4,-1.9 4,-2.7 -5,-0.3 5,-0.3 0.909 108.5 51.9 -69.7 -41.7 50.1 4.4 30.0 39 40 A L H X S+ 0 0 16 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.935 113.6 43.8 -58.8 -46.7 50.3 1.6 27.4 40 41 A F H < S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.853 114.6 50.2 -67.4 -36.4 52.6 3.8 25.2 41 42 A A H < S+ 0 0 65 -4,-2.1 3,-0.4 -5,-0.2 -2,-0.2 0.905 120.6 32.1 -70.0 -42.8 54.7 4.9 28.1 42 43 A D H < S+ 0 0 78 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.627 128.7 37.1 -91.4 -15.2 55.3 1.5 29.6 43 44 A N >< + 0 0 31 -4,-1.8 3,-2.3 -5,-0.3 4,-0.3 -0.509 63.7 166.5-135.3 66.2 55.4 -0.5 26.4 44 45 A Q G > + 0 0 147 -3,-0.4 3,-1.3 1,-0.3 4,-0.4 0.723 69.2 73.0 -53.5 -25.3 57.0 1.7 23.8 45 46 A E G 3 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.571 91.3 58.5 -70.2 -6.4 57.4 -1.2 21.4 46 47 A T G X> S+ 0 0 8 -3,-2.3 3,-1.2 -7,-0.2 4,-0.5 0.591 79.9 86.1 -96.6 -13.0 53.6 -1.1 20.7 47 48 A I G X4 S+ 0 0 60 -3,-1.3 3,-1.6 -4,-0.3 -1,-0.1 0.841 77.1 68.3 -56.6 -35.8 53.6 2.5 19.4 48 49 A G G >4 S+ 0 0 58 -4,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.838 91.9 59.9 -53.5 -36.6 54.4 1.4 15.9 49 50 A Y G <4 S+ 0 0 98 -3,-1.2 3,-0.4 1,-0.3 -1,-0.3 0.761 99.0 59.4 -63.5 -26.0 51.0 -0.3 15.6 50 51 A F G X< + 0 0 48 -3,-1.6 3,-1.8 -4,-0.5 4,-0.3 -0.002 62.0 131.8 -96.9 29.8 49.2 3.0 16.1 51 52 A K G X + 0 0 181 -3,-1.1 3,-1.6 1,-0.3 -1,-0.2 0.809 65.2 63.8 -48.4 -39.2 50.8 4.9 13.2 52 53 A R G 3 S+ 0 0 97 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.783 94.1 61.6 -60.4 -28.3 47.4 6.2 12.1 53 54 A L G < S- 0 0 6 -3,-1.8 12,-0.3 1,-0.2 2,-0.3 0.575 94.8-150.0 -77.6 -9.1 46.9 8.2 15.3 54 55 A G < + 0 0 52 -3,-1.6 2,-1.3 -4,-0.3 -1,-0.2 -0.564 63.9 10.5 80.7-138.6 50.0 10.4 14.6 55 56 A D > - 0 0 81 -2,-0.3 3,-1.5 1,-0.2 4,-0.1 -0.643 63.3-179.0 -83.1 92.7 52.0 11.7 17.6 56 57 A V G > S+ 0 0 13 -2,-1.3 3,-1.5 1,-0.3 -1,-0.2 0.618 70.9 78.2 -67.7 -13.7 50.6 9.9 20.5 57 58 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.636 80.9 70.5 -70.9 -11.7 52.8 11.7 23.0 58 59 A Q G X S- 0 0 98 -3,-1.5 3,-1.8 1,-0.2 -1,-0.3 0.617 81.5-178.7 -78.6 -13.6 50.5 14.6 22.7 59 60 A G G X + 0 0 9 -3,-1.5 3,-2.1 1,-0.3 7,-0.2 -0.238 64.2 10.3 56.0-127.7 47.9 12.7 24.6 60 61 A M G 3 S+ 0 0 83 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.745 124.5 64.6 -55.6 -27.7 44.5 14.5 25.1 61 62 A A G < S+ 0 0 78 -3,-1.8 2,-0.8 4,-0.1 -1,-0.3 0.668 82.9 87.9 -72.0 -17.7 45.6 17.2 22.6 62 63 A N <> - 0 0 12 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 -0.759 65.7-160.1 -87.0 109.5 45.7 14.6 19.8 63 64 A D H > S+ 0 0 89 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.851 90.0 50.7 -58.4 -39.6 42.1 14.5 18.3 64 65 A K H > S+ 0 0 106 -11,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 111.9 47.6 -67.6 -38.3 42.6 11.1 16.7 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.895 112.3 50.1 -68.4 -38.8 43.9 9.6 19.9 66 67 A R H X S+ 0 0 21 -4,-2.5 4,-2.5 -7,-0.2 5,-0.2 0.933 111.8 46.9 -65.4 -44.6 41.0 11.1 21.8 67 68 A G H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.888 114.7 47.6 -63.6 -38.9 38.5 9.7 19.4 68 69 A H H X S+ 0 0 36 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.919 112.2 49.5 -66.7 -44.9 40.1 6.3 19.5 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.888 110.6 48.0 -64.1 -43.1 40.3 6.3 23.3 70 71 A I H X S+ 0 0 1 -4,-2.5 4,-1.0 1,-0.2 3,-0.3 0.936 112.7 49.9 -64.0 -44.3 36.7 7.3 23.9 71 72 A T H >X S+ 0 0 20 -4,-1.8 4,-0.9 -5,-0.2 3,-0.7 0.883 104.5 58.2 -62.1 -38.6 35.6 4.6 21.4 72 73 A L H >X S+ 0 0 42 -4,-2.2 4,-1.5 1,-0.3 3,-0.7 0.886 101.8 56.1 -59.0 -38.0 37.7 2.0 23.1 73 74 A M H 3X S+ 0 0 4 -4,-1.4 4,-1.9 -3,-0.3 -1,-0.3 0.794 102.6 54.8 -66.7 -27.3 35.8 2.6 26.3 74 75 A Y H < S+ 0 0 13 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.923 110.8 50.1 -54.6 -48.8 31.4 -6.3 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.917 108.7 52.3 -58.3 -44.3 30.1 -5.3 30.5 81 82 A D H 3< S+ 0 0 66 -4,-2.3 3,-0.4 1,-0.2 -1,-0.3 0.720 108.1 52.7 -66.2 -20.7 26.5 -5.1 29.2 82 83 A Q T X< S+ 0 0 22 -4,-1.2 3,-1.2 -3,-0.8 7,-0.5 0.407 75.7 102.8 -95.4 2.4 26.8 -8.6 27.7 83 84 A L T < S+ 0 0 8 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.775 74.7 60.3 -56.3 -29.1 27.9 -10.4 30.9 84 85 A D T 3 S+ 0 0 126 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.810 107.8 45.3 -69.3 -30.8 24.5 -11.8 31.5 85 86 A N X> - 0 0 56 -3,-1.2 4,-2.4 1,-0.1 3,-0.8 -0.888 63.6-167.9-121.1 102.5 24.5 -13.7 28.2 86 87 A P H 3> S+ 0 0 68 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.825 88.8 58.7 -55.4 -34.4 27.6 -15.7 27.3 87 88 A D H 3> S+ 0 0 84 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.871 111.2 40.7 -65.5 -36.4 26.5 -16.2 23.7 88 89 A D H <> S+ 0 0 9 -3,-0.8 4,-1.8 -6,-0.2 5,-0.2 0.847 112.8 54.7 -79.7 -34.4 26.2 -12.5 23.1 89 90 A L H X S+ 0 0 3 -4,-2.4 4,-2.4 -7,-0.5 5,-0.2 0.953 108.9 49.6 -61.8 -47.1 29.4 -11.7 24.9 90 91 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.914 108.4 51.2 -59.1 -45.6 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 0.851 113.2 44.6 -65.6 -31.4 29.9 -12.8 19.4 92 93 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.857 112.4 52.3 -79.4 -32.8 30.9 -9.2 20.4 93 94 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.928 109.4 49.7 -65.2 -42.8 34.3 -10.3 21.6 94 95 A E H X S+ 0 0 69 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.837 106.7 56.5 -65.4 -30.7 34.9 -12.1 18.3 95 96 A K H X S+ 0 0 34 -4,-1.1 4,-1.1 -5,-0.2 -1,-0.2 0.955 112.1 40.7 -64.9 -48.3 33.9 -9.0 16.4 96 97 A F H X S+ 0 0 36 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.783 107.7 62.8 -71.5 -25.1 36.6 -7.0 18.2 97 98 A A H >X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 3,-0.6 0.909 101.0 52.9 -64.4 -40.0 39.1 -9.8 17.9 98 99 A V H 3X S+ 0 0 45 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.883 101.4 59.4 -62.1 -38.8 38.9 -9.5 14.1 99 100 A N H 3< S+ 0 0 34 -4,-1.1 -1,-0.2 1,-0.2 4,-0.2 0.811 114.7 37.1 -59.9 -29.6 39.6 -5.8 14.4 100 101 A H H <<>S+ 0 0 65 -4,-1.0 5,-2.3 -3,-0.6 3,-0.4 0.779 109.1 59.7 -93.8 -30.6 42.9 -6.7 16.1 101 102 A I H ><5S+ 0 0 79 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.902 103.8 54.1 -63.2 -38.3 43.7 -9.9 14.1 102 103 A T T 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.760 105.6 53.5 -66.5 -24.2 43.8 -7.7 11.0 103 104 A R T 3 5S- 0 0 126 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.2 0.311 119.6-112.1 -91.4 6.4 46.3 -5.4 12.7 104 105 A K T < 5 + 0 0 169 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.828 61.8 157.7 67.3 34.2 48.5 -8.4 13.4 105 106 A I < - 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