==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING 02-SEP-07 2R4W . COMPND 2 MOLECULE: GLOBIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR J.E.KNAPP,W.E.ROYER JR.,K.NIENHAUS,P.PALLADINO,G.U.NIENHAUS . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 84.5 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 . 65 22.4 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 0 2 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,-2.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 119.1 38.4 -21.6 23.7 2 3 A V H > + 0 0 11 141,-0.3 4,-2.4 1,-0.2 5,-0.1 0.836 360.0 55.5 -60.7 -31.2 36.6 -18.3 24.0 3 4 A Y H > S+ 0 0 123 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.875 107.1 47.2 -70.3 -37.4 33.7 -20.3 25.4 4 5 A D H > S+ 0 0 112 -3,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.891 113.5 49.7 -70.4 -36.3 35.8 -21.8 28.2 5 6 A A H >< S+ 0 0 7 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.903 107.0 53.5 -67.0 -42.3 37.2 -18.4 29.0 6 7 A A H >< S+ 0 0 12 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.827 102.0 61.0 -61.3 -31.0 33.7 -16.8 29.1 7 8 A A H 3< S+ 0 0 73 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.729 89.9 70.0 -67.8 -22.8 32.8 -19.5 31.6 8 9 A Q T << S+ 0 0 86 -3,-1.3 2,-1.7 -4,-0.6 -1,-0.3 0.609 74.0 94.8 -70.4 -12.4 35.6 -18.1 33.9 9 10 A L < + 0 0 15 -3,-1.4 -1,-0.2 -4,-0.3 -3,-0.0 -0.592 62.5 178.5 -84.9 83.0 33.4 -15.1 34.5 10 11 A T > - 0 0 75 -2,-1.7 4,-2.9 1,-0.1 5,-0.3 -0.157 46.0 -90.5 -77.6 174.1 31.7 -16.1 37.7 11 12 A A H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.885 127.4 47.9 -52.4 -45.7 29.2 -14.2 39.8 12 13 A D H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.865 112.2 48.9 -66.4 -38.1 31.9 -12.7 42.0 13 14 A V H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.921 111.2 49.3 -68.1 -44.3 34.0 -11.7 38.9 14 15 A K H X S+ 0 0 57 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.883 109.2 53.6 -62.8 -36.7 31.1 -10.1 37.2 15 16 A K H X S+ 0 0 113 -4,-1.9 4,-2.9 -5,-0.3 -1,-0.2 0.919 109.9 46.1 -64.8 -43.7 30.2 -8.1 40.3 16 17 A D H X S+ 0 0 25 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.883 111.0 52.5 -67.2 -38.1 33.7 -6.7 40.6 17 18 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.951 114.0 44.0 -61.4 -47.1 33.8 -5.8 37.0 18 19 A R H X S+ 0 0 78 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.941 113.0 49.2 -62.9 -51.0 30.5 -3.9 37.3 19 20 A D H X S+ 0 0 53 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.907 117.1 41.9 -56.7 -44.0 31.3 -2.2 40.6 20 21 A S H >X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 3,-0.6 0.862 110.4 57.0 -73.2 -35.3 34.6 -0.9 39.2 21 22 A W H 3X S+ 0 0 14 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.866 95.8 64.7 -63.5 -36.1 33.2 -0.1 35.8 22 23 A K H 3< S+ 0 0 161 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.877 112.8 35.7 -54.1 -36.9 30.7 2.3 37.4 23 24 A V H X< S+ 0 0 54 -4,-0.7 3,-1.0 -3,-0.6 4,-0.3 0.953 123.9 37.1 -83.0 -55.7 33.7 4.4 38.5 24 25 A I H >< S+ 0 0 11 -4,-2.5 3,-0.9 1,-0.2 7,-0.2 0.831 115.3 55.3 -69.3 -29.3 36.1 4.1 35.6 25 26 A G T 3< S+ 0 0 3 -4,-2.9 3,-0.5 -5,-0.3 -1,-0.2 0.554 88.5 78.5 -79.8 -6.1 33.4 4.1 33.0 26 27 A S T < S+ 0 0 96 -3,-1.0 2,-0.2 1,-0.3 -1,-0.2 0.687 102.6 35.8 -74.5 -19.0 32.0 7.4 34.3 27 28 A D <> + 0 0 72 -3,-0.9 4,-2.6 -4,-0.3 5,-0.4 -0.675 68.6 165.9-134.4 78.6 34.8 9.4 32.6 28 29 A K H > S+ 0 0 38 -3,-0.5 4,-1.7 -2,-0.2 5,-0.2 0.858 76.8 48.1 -63.7 -38.4 35.5 7.6 29.3 29 30 A K H > S+ 0 0 59 3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.962 117.4 40.0 -68.3 -51.3 37.5 10.4 27.8 30 31 A G H > S+ 0 0 21 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.945 123.8 37.2 -63.6 -51.1 39.8 11.0 30.8 31 32 A N H X S+ 0 0 11 -4,-2.6 4,-1.8 -7,-0.2 -1,-0.2 0.830 114.3 57.0 -72.3 -32.4 40.3 7.3 31.7 32 33 A G H X S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.4 -2,-0.2 0.931 109.7 43.4 -64.2 -46.3 40.4 6.2 28.2 33 34 A V H X S+ 0 0 8 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.861 109.7 59.1 -66.8 -33.8 43.3 8.5 27.3 34 35 A A H X S+ 0 0 31 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.886 101.0 55.9 -61.4 -39.9 45.0 7.5 30.6 35 36 A L H X S+ 0 0 11 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.942 113.1 39.7 -57.1 -50.5 45.0 3.9 29.5 36 37 A F H X S+ 0 0 4 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.843 109.7 55.5 -71.3 -37.6 46.9 4.7 26.3 37 38 A T H X S+ 0 0 61 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.855 114.6 45.3 -63.8 -29.7 49.3 7.2 27.6 38 39 A T H X S+ 0 0 29 -4,-1.5 4,-3.0 -5,-0.3 5,-0.4 0.914 110.2 52.0 -77.5 -45.7 50.2 4.5 30.1 39 40 A L H X S+ 0 0 13 -4,-2.4 4,-3.1 1,-0.2 7,-0.2 0.955 114.7 42.2 -54.8 -52.9 50.4 1.7 27.5 40 41 A F H < S+ 0 0 13 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.741 115.3 51.5 -68.1 -24.1 52.8 3.7 25.3 41 42 A A H < S+ 0 0 68 -4,-0.8 3,-0.4 -5,-0.3 -2,-0.2 0.927 119.7 32.8 -77.6 -47.0 54.8 4.8 28.3 42 43 A D H < S+ 0 0 73 -4,-3.0 2,-0.4 1,-0.2 -2,-0.2 0.839 130.9 33.2 -78.5 -36.6 55.3 1.4 29.8 43 44 A N >< + 0 0 40 -4,-3.1 3,-2.0 -5,-0.4 4,-0.3 -0.653 63.5 168.7-123.9 76.3 55.5 -0.6 26.5 44 45 A Q G > S+ 0 0 146 -3,-0.4 3,-1.7 -2,-0.4 4,-0.3 0.756 70.6 73.5 -56.2 -28.5 57.1 1.7 23.9 45 46 A E G 3 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.573 89.3 60.8 -66.3 -7.4 57.4 -1.2 21.5 46 47 A T G X S+ 0 0 8 -3,-2.0 3,-1.0 -7,-0.2 4,-0.4 0.594 78.7 87.3 -93.8 -12.7 53.7 -1.1 20.9 47 48 A I G X S+ 0 0 66 -3,-1.7 3,-2.0 -4,-0.3 -1,-0.2 0.855 77.0 66.2 -54.5 -39.0 53.7 2.5 19.5 48 49 A G G > S+ 0 0 50 -4,-0.3 3,-1.0 1,-0.3 -1,-0.2 0.851 91.2 62.3 -52.2 -40.4 54.5 1.3 16.0 49 50 A Y G < S+ 0 0 98 -3,-1.0 3,-0.3 1,-0.3 -1,-0.3 0.703 99.2 58.9 -59.4 -20.9 51.1 -0.4 15.7 50 51 A F G X + 0 0 49 -3,-2.0 3,-0.8 -4,-0.4 4,-0.3 -0.180 59.6 131.0-107.4 42.5 49.4 3.0 16.1 51 52 A K G X + 0 0 181 -3,-1.0 3,-1.5 1,-0.2 -1,-0.2 0.832 67.4 63.7 -60.1 -36.2 50.9 4.9 13.1 52 53 A R G 3 S+ 0 0 100 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.814 95.1 59.6 -60.6 -31.3 47.5 6.1 12.1 53 54 A L G < S- 0 0 4 -3,-0.8 12,-0.3 1,-0.2 -1,-0.3 0.607 96.4-149.9 -75.2 -11.2 47.0 8.1 15.3 54 55 A G < + 0 0 50 -3,-1.5 2,-1.3 -4,-0.3 -1,-0.2 -0.560 63.3 9.9 81.1-141.9 50.1 10.2 14.6 55 56 A D > - 0 0 82 -2,-0.2 3,-1.3 1,-0.2 10,-0.1 -0.620 63.3-179.6 -79.7 95.9 52.1 11.6 17.5 56 57 A V G > S+ 0 0 12 -2,-1.3 3,-2.7 1,-0.3 -1,-0.2 0.754 70.8 78.0 -67.8 -25.1 50.6 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 0.680 81.1 72.4 -59.5 -14.2 53.0 11.5 23.0 58 59 A Q G X S- 0 0 96 -3,-1.3 3,-1.6 1,-0.2 -1,-0.3 0.621 81.5-178.8 -75.2 -14.0 50.6 14.5 22.5 59 60 A G G X + 0 0 8 -3,-2.7 3,-2.0 1,-0.3 7,-0.3 -0.220 62.6 9.2 55.9-130.7 48.0 12.6 24.6 60 61 A M G 3 S+ 0 0 85 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.753 124.7 64.0 -53.5 -30.2 44.7 14.4 25.1 61 62 A A G < S+ 0 0 80 -3,-1.6 2,-0.8 4,-0.1 -1,-0.3 0.711 82.8 88.4 -69.2 -21.6 45.7 17.2 22.6 62 63 A N <> - 0 0 10 -3,-2.0 4,-2.4 1,-0.2 5,-0.2 -0.723 65.8-159.6 -83.0 109.7 45.8 14.6 19.7 63 64 A D H > S+ 0 0 86 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.852 90.2 51.4 -57.6 -40.3 42.3 14.4 18.3 64 65 A K H > S+ 0 0 110 -11,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 111.2 47.3 -66.5 -39.0 42.8 11.0 16.7 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.9 -6,-0.2 -2,-0.2 0.912 112.9 49.3 -68.5 -40.6 44.1 9.5 20.0 66 67 A R H X S+ 0 0 21 -4,-2.4 4,-2.4 -7,-0.3 5,-0.2 0.898 112.3 46.9 -65.7 -41.4 41.2 11.0 21.9 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.901 114.7 48.3 -65.7 -40.0 38.6 9.7 19.4 68 69 A H H X S+ 0 0 35 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.923 112.3 48.4 -64.2 -46.1 40.3 6.3 19.5 69 70 A S H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.892 111.0 48.6 -64.3 -43.5 40.4 6.3 23.3 70 71 A I H X S+ 0 0 1 -4,-2.4 4,-1.1 1,-0.2 3,-0.3 0.960 111.5 51.0 -62.2 -47.8 36.8 7.2 23.8 71 72 A T H X S+ 0 0 21 -4,-2.0 4,-0.9 1,-0.2 3,-0.4 0.867 105.8 55.7 -57.6 -38.8 35.7 4.5 21.3 72 73 A L H >X S+ 0 0 44 -4,-2.0 4,-1.7 1,-0.2 3,-0.9 0.904 102.5 55.9 -62.1 -39.5 37.8 1.9 23.1 73 74 A M H 3X S+ 0 0 3 -4,-1.6 4,-1.9 -3,-0.3 -1,-0.2 0.794 103.4 55.7 -63.6 -27.1 35.9 2.7 26.3 74 75 A Y H 3X S+ 0 0 11 -4,-1.1 4,-1.6 -3,-0.4 -1,-0.3 0.712 101.9 56.1 -77.6 -20.4 32.7 2.0 24.5 75 76 A A H < S+ 0 0 13 -4,-2.3 3,-0.7 1,-0.2 4,-0.3 0.921 110.8 50.4 -54.0 -49.4 31.5 -6.2 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.5 3,-1.4 1,-0.3 4,-0.2 0.912 109.2 51.7 -57.7 -44.8 30.1 -5.2 30.5 81 82 A D H 3< S+ 0 0 64 -4,-2.4 3,-0.4 1,-0.2 -1,-0.3 0.721 108.2 52.7 -66.5 -20.9 26.6 -5.0 29.2 82 83 A Q T X< S+ 0 0 20 -4,-1.2 3,-1.2 -3,-0.7 7,-0.5 0.361 76.6 100.4 -96.1 5.5 26.8 -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 0.805 75.4 61.1 -61.2 -29.2 27.9 -10.2 30.9 84 85 A D T 3 S+ 0 0 125 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.770 109.1 44.1 -68.3 -25.4 24.4 -11.5 31.5 85 86 A N X> - 0 0 56 -3,-1.2 4,-2.2 1,-0.1 3,-1.3 -0.838 63.4-168.9-128.0 98.0 24.5 -13.4 28.2 86 87 A P H 3> S+ 0 0 72 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.796 89.1 58.4 -52.1 -33.6 27.6 -15.4 27.4 87 88 A D H 3> S+ 0 0 97 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.847 110.9 41.5 -68.3 -31.7 26.4 -16.1 23.8 88 89 A D H <> S+ 0 0 8 -3,-1.3 4,-1.5 -6,-0.2 -1,-0.2 0.819 112.0 54.5 -83.5 -32.2 26.2 -12.3 23.1 89 90 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 -7,-0.5 -2,-0.2 0.928 108.3 51.2 -65.4 -42.5 29.5 -11.6 24.9 90 91 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.904 107.8 50.2 -62.1 -42.4 31.2 -14.1 22.7 91 92 A C H X S+ 0 0 5 -4,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.820 113.0 45.7 -69.9 -28.1 29.9 -12.7 19.5 92 93 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.859 111.9 52.4 -80.2 -33.8 31.0 -9.1 20.3 93 94 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.918 109.4 48.8 -65.7 -42.6 34.4 -10.3 21.6 94 95 A E H X S+ 0 0 65 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.848 107.3 56.9 -66.7 -30.6 35.0 -12.1 18.3 95 96 A K H X S+ 0 0 34 -4,-1.1 4,-1.1 1,-0.2 -2,-0.2 0.966 112.3 39.6 -63.5 -50.6 34.0 -9.0 16.4 96 97 A F H X S+ 0 0 36 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.791 108.3 63.4 -69.9 -26.9 36.6 -6.9 18.1 97 98 A A H >X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 3,-1.2 0.933 99.3 54.1 -61.0 -44.9 39.1 -9.8 17.9 98 99 A V H 3X S+ 0 0 41 -4,-1.8 4,-2.3 1,-0.3 -1,-0.2 0.885 100.4 60.3 -55.7 -40.7 39.0 -9.6 14.1 99 100 A N H 3< S+ 0 0 37 -4,-1.1 4,-0.3 1,-0.2 -1,-0.3 0.804 114.3 36.4 -58.3 -29.6 39.9 -5.9 14.3 100 101 A H H <<>S+ 0 0 63 -3,-1.2 5,-2.9 -4,-0.9 -2,-0.2 0.766 109.4 59.8 -94.9 -30.0 43.1 -6.9 16.0 101 102 A I H ><5S+ 0 0 80 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.889 104.8 53.5 -63.5 -36.8 43.8 -10.1 14.1 102 103 A T T 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.794 107.2 50.5 -67.4 -29.5 43.9 -7.9 11.0 103 104 A R T 3 5S- 0 0 136 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 0.263 119.2-113.5 -90.7 10.7 46.5 -5.6 12.6 104 105 A K T < 5 + 0 0 168 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.824 59.1 161.4 62.5 35.0 48.5 -8.7 13.5 105 106 A I < - 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