==== 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 3UH6 . 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) . 13662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 85.5 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 . 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 0 1 1 0 1 1 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 93 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 119.1 38.3 -21.6 23.8 2 3 A V H > + 0 0 13 141,-0.4 4,-2.2 1,-0.2 5,-0.1 0.820 360.0 55.4 -57.9 -32.8 36.5 -18.3 24.0 3 4 A Y H > S+ 0 0 122 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.885 108.5 45.7 -70.4 -38.8 33.4 -20.1 25.4 4 5 A D H > S+ 0 0 112 -3,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.895 112.1 52.5 -70.3 -38.6 35.4 -21.7 28.3 5 6 A A H >< S+ 0 0 18 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.925 107.1 51.9 -61.1 -44.4 37.0 -18.4 29.0 6 7 A A H >< S+ 0 0 10 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.830 102.8 60.2 -60.7 -31.9 33.6 -16.8 29.2 7 8 A A H 3< S+ 0 0 71 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.738 90.5 69.9 -67.7 -23.0 32.6 -19.5 31.7 8 9 A Q T << S+ 0 0 119 -3,-1.3 2,-1.7 -4,-0.8 -1,-0.3 0.642 75.2 94.5 -68.9 -14.6 35.4 -18.3 33.9 9 10 A L < + 0 0 13 -3,-1.5 -1,-0.2 -4,-0.3 -3,-0.0 -0.590 62.2 177.2 -84.2 83.0 33.3 -15.2 34.5 10 11 A T > - 0 0 71 -2,-1.7 4,-2.7 1,-0.1 5,-0.2 -0.134 46.9 -89.0 -77.4 176.3 31.5 -16.2 37.8 11 12 A A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.877 126.7 49.2 -54.5 -44.5 29.1 -14.2 39.9 12 13 A D H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 112.1 47.3 -65.0 -43.0 31.9 -12.7 42.0 13 14 A V H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.934 111.6 50.1 -65.0 -46.9 34.0 -11.7 39.0 14 15 A K H X S+ 0 0 59 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.870 109.8 52.3 -60.3 -36.3 31.0 -10.1 37.2 15 16 A K H X S+ 0 0 117 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.931 110.3 47.0 -66.0 -45.1 30.1 -8.1 40.3 16 17 A D H X S+ 0 0 24 -4,-2.1 4,-2.0 2,-0.2 5,-0.3 0.856 111.0 52.6 -64.8 -35.7 33.7 -6.8 40.6 17 18 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.939 112.7 44.5 -65.2 -45.4 33.7 -5.8 36.9 18 19 A R H X S+ 0 0 83 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.908 112.7 50.3 -65.5 -45.1 30.4 -3.9 37.3 19 20 A D H X S+ 0 0 61 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.923 115.9 41.0 -61.3 -46.4 31.3 -2.1 40.5 20 21 A S H >X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 3,-0.9 0.874 111.5 57.3 -70.7 -35.9 34.7 -0.9 39.2 21 22 A W H 3X S+ 0 0 15 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.854 95.0 65.3 -63.6 -33.7 33.2 -0.1 35.8 22 23 A K H 3< S+ 0 0 164 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.843 112.0 36.4 -57.1 -32.2 30.6 2.3 37.4 23 24 A V H X< S+ 0 0 55 -3,-0.9 3,-0.8 -4,-0.6 4,-0.2 0.940 123.7 36.9 -86.2 -55.0 33.6 4.4 38.4 24 25 A I H >< S+ 0 0 13 -4,-2.3 3,-1.1 1,-0.2 7,-0.3 0.838 113.4 57.6 -69.5 -31.7 36.0 4.2 35.5 25 26 A G G >< S+ 0 0 4 -4,-2.8 3,-0.5 -5,-0.3 -1,-0.2 0.631 88.8 76.8 -73.7 -11.2 33.3 4.1 32.9 26 27 A S G < S+ 0 0 98 -3,-0.8 -1,-0.2 1,-0.3 2,-0.2 0.648 101.9 37.7 -73.4 -16.1 31.9 7.5 34.1 27 28 A D G <> + 0 0 77 -3,-1.1 4,-2.5 -4,-0.2 5,-0.5 -0.655 68.4 165.3-135.2 76.4 34.7 9.4 32.4 28 29 A K H <> S+ 0 0 35 -3,-0.5 4,-1.2 -2,-0.2 5,-0.2 0.839 76.5 47.9 -62.9 -36.9 35.3 7.6 29.1 29 30 A K H > S+ 0 0 63 3,-0.2 4,-1.9 2,-0.2 5,-0.2 0.951 117.5 40.5 -70.8 -48.6 37.4 10.3 27.6 30 31 A G H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.953 122.5 37.1 -65.6 -53.4 39.6 10.8 30.6 31 32 A N H X S+ 0 0 12 -4,-2.5 4,-2.2 -7,-0.3 -1,-0.2 0.809 114.0 58.7 -71.1 -28.5 40.2 7.2 31.6 32 33 A G H X S+ 0 0 0 -4,-1.2 4,-2.0 -5,-0.5 -1,-0.2 0.938 110.5 40.7 -65.0 -46.7 40.3 6.1 28.0 33 34 A V H X S+ 0 0 8 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.865 111.5 57.6 -69.7 -34.9 43.2 8.4 27.2 34 35 A A H X S+ 0 0 32 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.912 107.3 49.4 -60.3 -41.8 44.8 7.5 30.5 35 36 A L H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.952 113.3 45.0 -61.4 -51.7 44.7 3.9 29.4 36 37 A M H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.922 113.9 46.9 -61.0 -48.9 46.3 4.5 26.0 37 38 A T H X S+ 0 0 48 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.874 111.7 51.9 -64.0 -35.4 49.1 6.9 27.2 38 39 A T H X S+ 0 0 30 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.891 109.5 51.0 -67.0 -37.4 50.0 4.5 30.0 39 40 A L H X S+ 0 0 14 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.948 113.7 43.5 -62.5 -49.6 50.2 1.7 27.4 40 41 A F H < S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.848 115.1 50.2 -65.3 -35.7 52.4 3.7 25.2 41 42 A A H < S+ 0 0 67 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.905 119.7 33.4 -71.0 -43.1 54.6 4.9 28.1 42 43 A D H < S+ 0 0 76 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.570 129.3 36.6 -90.6 -10.4 55.2 1.5 29.6 43 44 A N >< + 0 0 31 -4,-1.6 3,-1.9 -5,-0.2 4,-0.4 -0.521 61.3 165.9-141.8 71.1 55.2 -0.4 26.3 44 45 A Q G > S+ 0 0 146 -3,-0.4 3,-1.5 1,-0.3 4,-0.4 0.775 70.5 73.1 -56.5 -30.4 56.9 1.7 23.7 45 46 A E G 3 S+ 0 0 111 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.685 93.5 55.8 -61.7 -15.9 57.3 -1.3 21.4 46 47 A T G X S+ 0 0 9 -3,-1.9 3,-1.5 -7,-0.2 4,-0.5 0.639 81.0 86.8 -91.0 -15.1 53.5 -1.2 20.7 47 48 A I G X S+ 0 0 63 -3,-1.5 3,-1.4 -4,-0.4 -1,-0.2 0.815 78.2 67.7 -53.3 -33.3 53.5 2.5 19.5 48 49 A G G > S+ 0 0 50 -4,-0.4 3,-1.1 -3,-0.3 -1,-0.3 0.791 89.3 62.1 -59.4 -31.4 54.2 1.3 16.0 49 50 A Y G < S+ 0 0 95 -3,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.706 98.6 59.3 -67.2 -21.3 50.9 -0.4 15.5 50 51 A F G X + 0 0 47 -3,-1.4 3,-1.3 -4,-0.5 4,-0.3 -0.023 60.8 131.4-101.0 30.6 49.1 3.0 16.0 51 52 A K G X + 0 0 164 -3,-1.1 3,-2.2 1,-0.3 -1,-0.2 0.874 67.0 63.1 -47.7 -45.0 50.8 4.8 13.1 52 53 A R G 3 S+ 0 0 100 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.807 94.4 59.8 -52.5 -36.9 47.3 6.1 11.9 53 54 A L G < S- 0 0 6 -3,-1.3 12,-0.4 1,-0.2 -1,-0.3 0.517 97.8-148.1 -73.2 -4.5 46.7 8.1 15.0 54 55 A G < + 0 0 49 -3,-2.2 2,-1.2 -4,-0.3 -1,-0.2 -0.492 62.9 12.0 76.7-141.6 49.8 10.2 14.4 55 56 A D > - 0 0 81 -2,-0.2 3,-1.4 1,-0.2 10,-0.1 -0.599 61.3-178.6 -78.1 95.6 51.9 11.5 17.3 56 57 A V G > S+ 0 0 12 -2,-1.2 3,-1.7 1,-0.3 -1,-0.2 0.639 71.4 77.8 -70.0 -14.0 50.5 9.7 20.4 57 58 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.656 81.1 70.8 -70.7 -11.8 52.8 11.6 22.8 58 59 A Q G X S- 0 0 98 -3,-1.4 3,-2.3 1,-0.2 -1,-0.3 0.514 80.6-178.9 -80.3 -5.5 50.4 14.5 22.5 59 60 A G G X + 0 0 9 -3,-1.7 3,-2.1 1,-0.3 7,-0.3 -0.119 65.8 11.5 47.0-124.5 47.8 12.6 24.5 60 61 A M G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.683 124.1 64.4 -57.3 -21.6 44.6 14.5 24.9 61 62 A A G < S+ 0 0 77 -3,-2.3 2,-0.8 4,-0.0 -1,-0.3 0.596 82.5 88.3 -79.9 -11.8 45.7 17.1 22.3 62 63 A N <> - 0 0 10 -3,-2.1 4,-2.4 -4,-0.2 5,-0.2 -0.802 63.8-162.3 -90.5 110.0 45.6 14.5 19.6 63 64 A D H > S+ 0 0 91 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.888 89.1 52.3 -59.5 -41.7 42.1 14.4 18.2 64 65 A K H > S+ 0 0 112 -11,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 111.4 46.1 -61.9 -44.7 42.6 11.0 16.5 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-3.1 2,-0.2 -2,-0.2 0.908 112.3 51.0 -65.2 -42.1 43.9 9.4 19.8 66 67 A R H X S+ 0 0 25 -4,-2.4 4,-2.4 -7,-0.3 5,-0.2 0.933 111.6 46.9 -62.3 -45.7 41.0 10.9 21.8 67 68 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.918 114.6 47.6 -61.3 -43.4 38.4 9.6 19.3 68 69 A H H X S+ 0 0 38 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.925 111.3 51.1 -61.6 -47.7 40.0 6.2 19.4 69 70 A S H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.892 110.1 47.8 -58.9 -45.6 40.2 6.2 23.2 70 71 A I H X S+ 0 0 1 -4,-2.4 4,-1.4 1,-0.2 3,-0.2 0.957 111.2 51.6 -61.7 -48.5 36.6 7.0 23.7 71 72 A A H X S+ 0 0 16 -4,-2.2 4,-0.9 1,-0.2 3,-0.4 0.879 106.5 55.0 -54.1 -41.5 35.6 4.4 21.1 72 73 A L H >X S+ 0 0 45 -4,-2.3 4,-1.6 1,-0.2 3,-0.9 0.914 104.6 53.4 -59.6 -43.2 37.7 1.9 23.1 73 74 A M H 3X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.3 -1,-0.2 0.788 105.3 54.0 -63.9 -27.7 35.8 2.7 26.2 74 75 A Y H 3X S+ 0 0 13 -4,-1.4 4,-1.4 -3,-0.4 -1,-0.3 0.690 103.7 56.1 -80.0 -17.2 32.5 2.0 24.4 75 76 A A H < S+ 0 0 11 -4,-1.8 3,-1.0 1,-0.2 4,-0.5 0.942 110.0 51.3 -59.3 -49.2 31.4 -6.2 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.908 108.7 51.2 -55.1 -45.7 30.0 -5.1 30.6 81 82 A D H 3< S+ 0 0 66 -4,-2.2 3,-0.4 1,-0.2 -1,-0.3 0.685 108.2 53.4 -67.5 -18.5 26.5 -5.0 29.3 82 83 A Q T X< S+ 0 0 22 -3,-1.0 3,-1.2 -4,-1.0 7,-0.5 0.423 75.3 101.3 -96.4 0.5 26.8 -8.5 27.8 83 84 A L T < S+ 0 0 6 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.1 0.734 76.2 60.5 -57.0 -24.2 27.9 -10.2 31.0 84 85 A D T 3 S+ 0 0 124 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.819 107.4 46.1 -73.0 -31.4 24.4 -11.6 31.5 85 86 A N <> - 0 0 53 -3,-1.2 4,-2.5 1,-0.1 3,-0.4 -0.920 62.9-166.8-120.3 108.4 24.4 -13.5 28.2 86 87 A P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.786 90.3 56.4 -60.7 -29.8 27.5 -15.6 27.3 87 88 A D H > S+ 0 0 92 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.877 112.0 40.2 -72.1 -37.8 26.3 -16.0 23.7 88 89 A D H > S+ 0 0 8 -3,-0.4 4,-1.9 2,-0.2 5,-0.2 0.867 112.2 56.3 -78.3 -35.7 26.1 -12.3 23.1 89 90 A L H X S+ 0 0 4 -4,-2.5 4,-2.2 -7,-0.5 -2,-0.2 0.932 108.7 49.0 -59.6 -44.1 29.3 -11.6 25.0 90 91 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.903 108.2 51.1 -64.4 -43.1 31.1 -14.0 22.7 91 92 A C H X S+ 0 0 6 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.852 113.3 45.2 -66.9 -31.2 29.8 -12.6 19.4 92 93 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.888 112.3 51.1 -77.8 -37.2 30.8 -9.0 20.4 93 94 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.938 110.9 48.9 -62.4 -44.8 34.2 -10.2 21.7 94 95 A E H X S+ 0 0 65 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.859 106.6 57.7 -63.3 -33.7 34.8 -12.0 18.4 95 96 A K H X S+ 0 0 36 -4,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.954 113.0 38.0 -61.4 -49.5 33.7 -8.9 16.5 96 97 A F H X S+ 0 0 40 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.740 108.4 64.3 -74.5 -22.1 36.4 -6.8 18.1 97 98 A A H >X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 3,-1.0 0.911 99.0 54.5 -65.5 -40.4 38.9 -9.6 18.0 98 99 A V H 3X S+ 0 0 43 -4,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.847 100.0 61.0 -60.3 -35.5 38.8 -9.5 14.2 99 100 A N H 3< S+ 0 0 40 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.791 113.2 36.7 -62.8 -28.0 39.7 -5.8 14.4 100 101 A H H X<>S+ 0 0 67 -3,-1.0 5,-2.5 -4,-0.8 3,-0.5 0.756 109.7 60.2 -96.0 -28.2 43.0 -6.8 16.1 101 102 A I H ><5S+ 0 0 77 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.897 103.1 53.3 -65.4 -39.5 43.6 -9.9 14.1 102 103 A T T 3<5S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.665 107.0 53.5 -69.4 -15.6 43.7 -7.9 10.9 103 104 A R T < 5S- 0 0 129 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.249 118.5-113.9-100.1 10.1 46.3 -5.7 12.6 104 105 A K T < 5 + 0 0 175 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.833 59.8 159.3 62.3 35.7 48.5 -8.7 13.5 105 106 A I < - 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