==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE, OXYGEN TRANSPORT 03-NOV-11 3UHB . COMPND 2 MOLECULE: GLOBIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR Z.REN,V.SRAJER,J.E.KNAPP,W.E.ROYER JR. . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13729.0 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 22.1 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 0 2 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,-0.3 0.000 360.0 360.0 360.0 119.5 38.3 -21.7 23.8 2 3 A V H > + 0 0 12 141,-0.3 4,-2.1 1,-0.2 5,-0.1 0.834 360.0 55.6 -60.0 -31.5 36.5 -18.4 24.0 3 4 A Y H > S+ 0 0 123 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.864 107.9 45.8 -70.4 -36.7 33.5 -20.3 25.4 4 5 A D H 4 S+ 0 0 113 -3,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.880 112.7 51.8 -72.7 -36.3 35.5 -21.8 28.2 5 6 A A H >< S+ 0 0 12 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.887 107.1 52.2 -65.0 -39.8 37.1 -18.4 29.0 6 7 A A H >< S+ 0 0 11 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.817 101.1 63.2 -65.3 -30.2 33.7 -16.8 29.1 7 8 A A T 3< S+ 0 0 74 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.677 89.5 68.5 -68.5 -18.2 32.7 -19.6 31.6 8 9 A Q T < S+ 0 0 105 -3,-1.2 2,-1.8 -4,-0.5 -1,-0.3 0.527 72.1 97.4 -79.1 -5.4 35.3 -18.2 34.0 9 10 A L < - 0 0 14 -3,-1.5 -1,-0.1 -4,-0.2 -3,-0.0 -0.594 62.7-179.7 -85.9 80.2 33.3 -15.1 34.5 10 11 A T > - 0 0 72 -2,-1.8 4,-2.8 1,-0.1 5,-0.3 -0.113 45.0 -91.7 -73.2 173.4 31.6 -16.2 37.8 11 12 A A H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.898 127.9 48.7 -53.6 -44.9 29.1 -14.2 39.8 12 13 A D H > S+ 0 0 124 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 112.1 48.3 -64.7 -40.1 31.9 -12.7 42.0 13 14 A V H > S+ 0 0 16 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.921 111.1 49.7 -67.2 -44.7 33.9 -11.7 38.9 14 15 A K H X S+ 0 0 60 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.879 109.7 52.5 -62.7 -37.0 31.0 -10.1 37.2 15 16 A K H X S+ 0 0 111 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.934 109.4 47.7 -65.3 -45.8 30.1 -8.2 40.3 16 17 A D H X S+ 0 0 25 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.853 111.6 51.6 -64.4 -33.7 33.6 -6.8 40.6 17 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.938 113.1 44.0 -67.5 -46.3 33.7 -5.8 37.0 18 19 A R H X S+ 0 0 81 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.926 113.2 50.9 -64.2 -46.1 30.3 -4.0 37.2 19 20 A D H X S+ 0 0 58 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.908 116.1 40.1 -59.7 -44.9 31.3 -2.2 40.5 20 21 A S H >X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 3,-1.0 0.871 111.1 57.4 -73.7 -36.5 34.6 -0.9 39.2 21 22 A W H 3X S+ 0 0 14 -4,-2.4 4,-2.9 1,-0.3 5,-0.2 0.853 94.7 67.2 -61.9 -33.5 33.2 -0.1 35.8 22 23 A K H 3< S+ 0 0 173 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.849 112.8 32.4 -53.5 -35.6 30.6 2.2 37.5 23 24 A V H X< S+ 0 0 58 -3,-1.0 3,-1.0 -4,-0.5 4,-0.4 0.918 123.4 41.5 -88.1 -54.9 33.6 4.4 38.4 24 25 A I H >< S+ 0 0 10 -4,-2.5 3,-0.9 1,-0.2 7,-0.2 0.847 113.4 54.7 -65.7 -33.2 36.1 4.0 35.6 25 26 A G G >< S+ 0 0 4 -4,-2.9 3,-0.5 -5,-0.3 -1,-0.2 0.572 88.4 79.2 -77.7 -7.7 33.3 4.2 32.9 26 27 A S G < S+ 0 0 95 -3,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.743 101.8 36.2 -70.9 -24.7 32.0 7.5 34.3 27 28 A D G <> + 0 0 74 -3,-0.9 4,-2.7 -4,-0.4 5,-0.4 -0.676 68.7 165.8-129.6 77.6 34.8 9.4 32.5 28 29 A K H <> S+ 0 0 34 -3,-0.5 4,-1.6 -2,-0.3 5,-0.2 0.871 77.1 47.0 -61.3 -40.8 35.4 7.6 29.2 29 30 A K H > S+ 0 0 60 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.960 117.3 41.6 -67.1 -51.2 37.4 10.4 27.6 30 31 A G H > S+ 0 0 22 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.947 123.3 36.0 -62.4 -52.1 39.7 10.9 30.7 31 32 A N H X S+ 0 0 11 -4,-2.7 4,-2.1 -7,-0.2 -1,-0.2 0.772 113.9 59.0 -74.7 -25.7 40.3 7.3 31.6 32 33 A G H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.4 -2,-0.2 0.942 110.0 41.5 -67.1 -47.1 40.3 6.2 28.0 33 34 A V H X S+ 0 0 10 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.858 111.8 57.5 -67.5 -34.3 43.2 8.4 27.1 34 35 A A H X S+ 0 0 31 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.907 105.8 50.0 -62.4 -41.7 44.9 7.5 30.5 35 36 A L H X S+ 0 0 7 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.932 114.3 43.9 -61.7 -47.7 44.8 3.8 29.4 36 37 A M H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.926 112.9 49.3 -65.8 -48.4 46.4 4.5 26.1 37 38 A T H X S+ 0 0 48 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.864 112.1 50.3 -60.4 -35.9 49.0 6.9 27.3 38 39 A T H X S+ 0 0 29 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.917 109.1 51.7 -68.1 -41.9 50.0 4.4 30.0 39 40 A L H X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.936 112.9 44.9 -58.5 -47.3 50.2 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 0.826 115.4 47.5 -67.4 -32.9 52.5 3.7 25.2 41 42 A A H < S+ 0 0 64 -4,-1.9 3,-0.4 -5,-0.2 -2,-0.2 0.898 120.1 35.9 -75.8 -41.7 54.6 4.8 28.2 42 43 A D H < S+ 0 0 71 -4,-2.9 2,-0.2 1,-0.2 -2,-0.2 0.780 130.4 31.0 -82.7 -29.9 55.1 1.3 29.7 43 44 A N >< + 0 0 37 -4,-2.5 3,-2.2 -5,-0.3 4,-0.3 -0.576 64.7 168.1-130.3 71.0 55.3 -0.6 26.4 44 45 A Q G > S+ 0 0 141 -3,-0.4 3,-1.5 1,-0.3 4,-0.4 0.733 70.0 74.0 -54.4 -26.1 56.8 1.7 23.9 45 46 A E G 3 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.543 89.9 59.5 -68.9 -4.9 57.3 -1.2 21.4 46 47 A T G X S+ 0 0 7 -3,-2.2 3,-1.1 -7,-0.2 4,-0.5 0.564 79.3 87.3 -97.5 -10.8 53.5 -1.1 20.8 47 48 A I G X S+ 0 0 64 -3,-1.5 3,-1.7 -4,-0.3 -2,-0.1 0.849 76.5 67.4 -57.2 -36.6 53.5 2.4 19.5 48 49 A G G > S+ 0 0 49 -4,-0.4 3,-1.1 1,-0.3 -1,-0.2 0.828 91.4 61.2 -54.0 -35.9 54.3 1.3 15.9 49 50 A Y G < S+ 0 0 97 -3,-1.1 3,-0.3 1,-0.3 -1,-0.3 0.747 99.0 58.5 -63.6 -24.7 50.9 -0.4 15.6 50 51 A F G X + 0 0 49 -3,-1.7 3,-1.5 -4,-0.5 4,-0.3 -0.069 61.4 131.2 -99.8 34.0 49.2 2.9 16.1 51 52 A K G X + 0 0 161 -3,-1.1 3,-1.5 1,-0.3 -1,-0.2 0.811 65.9 64.8 -54.5 -34.1 50.7 4.8 13.2 52 53 A R G 3 S+ 0 0 99 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.806 93.9 61.0 -61.5 -29.8 47.3 6.0 12.0 53 54 A L G < S- 0 0 5 -3,-1.5 12,-0.3 1,-0.2 -1,-0.3 0.560 96.2-147.8 -76.5 -8.2 46.9 8.1 15.2 54 55 A G < + 0 0 51 -3,-1.5 2,-1.2 -4,-0.3 -1,-0.2 -0.557 64.5 8.1 80.2-141.1 49.9 10.2 14.5 55 56 A D > - 0 0 79 -2,-0.2 3,-1.5 1,-0.2 4,-0.1 -0.652 63.0-177.7 -82.9 95.7 52.0 11.6 17.4 56 57 A V G > S+ 0 0 12 -2,-1.2 3,-1.7 1,-0.3 -1,-0.2 0.644 72.1 77.7 -67.3 -16.7 50.5 9.8 20.4 57 58 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.678 80.8 71.6 -68.0 -14.5 52.8 11.6 22.8 58 59 A Q G X S- 0 0 101 -3,-1.5 3,-1.8 1,-0.2 -1,-0.3 0.621 81.4-178.5 -75.1 -13.6 50.4 14.6 22.4 59 60 A G G X + 0 0 9 -3,-1.7 3,-1.8 1,-0.3 7,-0.2 -0.238 64.0 9.0 55.9-127.6 47.8 12.7 24.5 60 61 A M G 3 S+ 0 0 86 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.748 125.1 64.5 -56.8 -27.6 44.5 14.5 24.9 61 62 A A G < S+ 0 0 78 -3,-1.8 2,-0.8 4,-0.1 -1,-0.3 0.707 82.5 88.1 -70.9 -21.0 45.6 17.2 22.4 62 63 A N <> - 0 0 12 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 -0.720 65.4-161.1 -83.3 107.9 45.7 14.6 19.6 63 64 A D H > S+ 0 0 90 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.851 89.6 51.2 -58.3 -38.5 42.1 14.5 18.2 64 65 A K H > S+ 0 0 109 -11,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 111.4 47.5 -67.7 -39.3 42.6 11.1 16.6 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.905 111.9 50.3 -68.0 -39.7 43.9 9.6 19.8 66 67 A R H X S+ 0 0 21 -4,-2.5 4,-2.3 -7,-0.2 5,-0.2 0.917 111.4 47.9 -64.9 -42.1 41.0 11.1 21.8 67 68 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.906 114.4 46.9 -64.1 -41.6 38.5 9.7 19.3 68 69 A H H X S+ 0 0 37 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.914 112.3 50.2 -64.6 -44.8 40.1 6.3 19.4 69 70 A S H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.885 110.0 48.3 -63.5 -43.4 40.3 6.3 23.2 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-1.0 1,-0.2 3,-0.3 0.939 112.4 50.0 -62.9 -45.8 36.6 7.2 23.7 71 72 A T H X S+ 0 0 22 -4,-1.9 4,-0.9 1,-0.2 3,-0.5 0.867 105.0 57.6 -60.9 -37.8 35.6 4.5 21.3 72 73 A L H >X S+ 0 0 45 -4,-2.1 4,-1.5 1,-0.2 3,-0.8 0.898 102.7 54.6 -60.0 -40.0 37.7 2.0 23.1 73 74 A M H 3X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.3 -1,-0.2 0.787 103.2 55.7 -66.0 -26.8 35.8 2.7 26.3 74 75 A Y H 3X S+ 0 0 11 -4,-1.0 4,-1.8 -3,-0.5 -1,-0.3 0.701 101.8 57.1 -78.6 -18.3 32.5 1.9 24.5 75 76 A A H < S+ 0 0 13 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.924 110.8 50.4 -55.7 -48.7 31.4 -6.2 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.905 108.8 51.9 -58.6 -42.5 30.0 -5.2 30.5 81 82 A D H 3< S+ 0 0 65 -4,-2.4 3,-0.4 1,-0.2 -1,-0.3 0.719 107.8 53.3 -68.2 -20.6 26.5 -5.0 29.2 82 83 A Q T X< S+ 0 0 20 -4,-1.2 3,-1.1 -3,-0.8 7,-0.5 0.407 75.8 101.6 -94.6 2.1 26.8 -8.5 27.7 83 84 A L T < S+ 0 0 6 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.784 74.9 60.9 -57.4 -28.8 27.8 -10.2 30.9 84 85 A D T 3 S+ 0 0 127 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.833 107.7 44.6 -67.9 -33.0 24.3 -11.6 31.4 85 86 A N X> - 0 0 57 -3,-1.1 4,-2.2 1,-0.1 3,-0.7 -0.899 64.3-166.3-120.7 104.3 24.3 -13.6 28.2 86 87 A P H 3> S+ 0 0 74 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.832 89.6 57.7 -53.5 -38.4 27.5 -15.6 27.3 87 88 A D H 3> S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.874 110.5 42.2 -63.9 -37.9 26.4 -16.1 23.7 88 89 A D H <> S+ 0 0 9 -3,-0.7 4,-1.7 2,-0.2 5,-0.2 0.853 111.8 54.6 -78.2 -33.8 26.1 -12.4 23.1 89 90 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 -7,-0.5 -2,-0.2 0.940 108.7 50.1 -63.3 -44.6 29.4 -11.6 25.0 90 91 A V H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.909 108.5 50.9 -61.3 -43.1 31.2 -14.1 22.7 91 92 A C H X S+ 0 0 6 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.838 113.1 44.5 -67.8 -30.8 29.9 -12.7 19.5 92 93 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.850 112.5 52.7 -79.0 -34.1 30.9 -9.1 20.3 93 94 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.918 109.0 49.5 -65.4 -41.9 34.3 -10.3 21.6 94 95 A E H X S+ 0 0 62 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.840 106.5 57.2 -66.8 -30.0 34.8 -12.1 18.3 95 96 A K H X S+ 0 0 37 -4,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.943 112.1 39.9 -64.9 -47.2 33.9 -9.0 16.4 96 97 A F H X S+ 0 0 39 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.784 108.2 62.7 -73.5 -26.0 36.6 -6.9 18.2 97 98 A A H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 3,-0.4 0.919 101.2 53.1 -63.3 -41.6 39.0 -9.8 17.9 98 99 A V H X S+ 0 0 49 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.884 102.5 57.8 -60.5 -39.7 38.8 -9.6 14.2 99 100 A N H < S+ 0 0 61 -4,-1.1 4,-0.5 1,-0.2 -1,-0.2 0.857 113.5 39.8 -59.9 -34.4 39.7 -5.9 14.3 100 101 A H H <>S+ 0 0 64 -4,-1.3 5,-2.7 -3,-0.4 -2,-0.2 0.788 108.5 58.8 -86.4 -29.0 42.9 -6.8 16.1 101 102 A I H ><5S+ 0 0 84 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.900 105.1 52.4 -65.6 -37.4 43.7 -9.8 14.1 102 103 A T T 3<5S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.786 107.3 52.0 -67.3 -27.7 43.7 -7.6 11.0 103 104 A K T 3 5S- 0 0 133 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.298 120.3-113.0 -90.3 8.0 46.2 -5.3 12.7 104 105 A K T < 5 + 0 0 174 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.843 60.7 157.9 64.7 38.1 48.4 -8.3 13.5 105 106 A I < - 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