==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 16-SEP-01 1JZL . COMPND 2 MOLECULE: GLOBIN I - ARK SHELL; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR J.E.KNAPP,Q.H.GIBSON,L.CUSHING,W.E.ROYER JR. . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 86.9 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 . 69 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 58.3 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 91 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 123.5 38.4 -21.8 23.7 2 3 A V H > + 0 0 9 141,-0.3 4,-2.1 1,-0.2 5,-0.1 0.824 360.0 54.5 -62.4 -30.2 36.5 -18.5 23.9 3 4 A Y H > S+ 0 0 126 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.884 107.6 47.1 -72.4 -38.2 33.6 -20.3 25.4 4 5 A D H > S+ 0 0 114 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.886 112.8 51.4 -69.4 -35.2 35.6 -21.9 28.1 5 6 A A H >< S+ 0 0 18 -4,-2.2 3,-1.3 1,-0.2 4,-0.2 0.905 106.9 52.3 -66.3 -41.5 37.1 -18.5 28.9 6 7 A A H >< S+ 0 0 11 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.826 101.4 62.3 -63.4 -30.9 33.6 -16.9 29.1 7 8 A A H 3< S+ 0 0 69 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.685 89.7 69.7 -68.4 -18.1 32.7 -19.6 31.6 8 9 A Q T << S+ 0 0 105 -3,-1.3 2,-1.8 -4,-0.5 -1,-0.3 0.597 72.5 95.4 -75.9 -11.3 35.4 -18.3 33.9 9 10 A L < - 0 0 15 -3,-1.5 -1,-0.1 -4,-0.2 -3,-0.0 -0.576 63.5-179.9 -83.7 81.1 33.3 -15.2 34.5 10 11 A T > - 0 0 72 -2,-1.8 4,-2.7 1,-0.1 5,-0.2 -0.107 44.8 -90.0 -73.3 175.0 31.6 -16.3 37.7 11 12 A A H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.890 127.3 47.7 -54.6 -44.8 29.1 -14.4 39.8 12 13 A D H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.879 111.7 49.2 -67.0 -38.9 31.8 -12.8 41.9 13 14 A V H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.915 110.6 51.3 -66.6 -41.7 34.0 -11.8 38.9 14 15 A K H X S+ 0 0 59 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.902 109.7 49.5 -62.4 -40.5 30.9 -10.2 37.2 15 16 A K H X S+ 0 0 114 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.907 110.7 49.7 -65.8 -41.7 30.1 -8.2 40.3 16 17 A D H X S+ 0 0 29 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.864 110.8 50.5 -66.0 -35.4 33.6 -6.9 40.6 17 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.937 114.2 43.5 -67.0 -46.2 33.6 -5.9 36.9 18 19 A R H X S+ 0 0 79 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.911 113.3 51.5 -65.3 -43.8 30.3 -4.0 37.2 19 20 A D H X S+ 0 0 56 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.898 115.6 40.1 -62.2 -42.2 31.3 -2.4 40.5 20 21 A S H >X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 3,-0.8 0.845 111.1 58.3 -76.7 -32.7 34.6 -1.1 39.2 21 22 A W H 3X S+ 0 0 15 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.842 93.6 66.6 -65.0 -32.7 33.1 -0.1 35.8 22 23 A K H 3< S+ 0 0 165 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.864 111.9 35.7 -56.0 -33.1 30.6 2.1 37.5 23 24 A V H X< S+ 0 0 51 -3,-0.8 3,-1.1 -4,-0.5 4,-0.2 0.943 123.4 36.7 -87.3 -55.1 33.6 4.3 38.4 24 25 A I H >< S+ 0 0 11 -4,-2.3 3,-0.9 1,-0.2 7,-0.2 0.806 113.5 58.6 -71.8 -24.4 36.1 4.1 35.5 25 26 A G T 3< S+ 0 0 6 -4,-2.4 3,-0.5 -5,-0.3 -1,-0.2 0.564 88.6 76.4 -79.0 -6.3 33.3 4.1 32.9 26 27 A S T < S+ 0 0 97 -3,-1.1 -1,-0.2 1,-0.3 2,-0.2 0.617 101.3 37.9 -78.4 -15.4 32.0 7.4 34.2 27 28 A D <> + 0 0 76 -3,-0.9 4,-2.7 -4,-0.2 5,-0.4 -0.647 68.1 165.4-135.6 76.2 34.8 9.3 32.5 28 29 A K H > S+ 0 0 35 -3,-0.5 4,-1.6 -2,-0.2 5,-0.2 0.869 76.9 46.7 -62.7 -39.6 35.4 7.6 29.2 29 30 A K H > S+ 0 0 61 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.958 117.7 41.6 -68.7 -49.5 37.4 10.4 27.6 30 31 A G H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.954 122.9 36.6 -62.9 -53.3 39.7 10.9 30.6 31 32 A N H X S+ 0 0 11 -4,-2.7 4,-2.1 -7,-0.2 -1,-0.2 0.770 114.0 57.1 -73.4 -27.2 40.2 7.2 31.5 32 33 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.4 -1,-0.2 0.932 110.4 43.3 -68.5 -44.7 40.3 6.1 27.9 33 34 A V H X S+ 0 0 10 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.867 111.3 56.6 -67.8 -34.7 43.2 8.4 27.1 34 35 A A H X S+ 0 0 30 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.916 106.0 50.5 -63.1 -41.8 44.8 7.4 30.4 35 36 A L H X S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.933 113.2 45.2 -61.0 -46.7 44.8 3.8 29.4 36 37 A M H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.917 112.7 48.3 -65.5 -45.4 46.3 4.5 26.0 37 38 A T H X S+ 0 0 50 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.821 111.7 51.2 -66.8 -29.7 49.1 6.8 27.2 38 39 A T H X S+ 0 0 30 -4,-1.8 4,-2.8 -5,-0.3 5,-0.4 0.906 108.3 52.0 -72.7 -39.5 50.0 4.3 29.9 39 40 A L H X S+ 0 0 10 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.949 112.3 45.5 -59.3 -47.9 50.2 1.6 27.3 40 41 A F H < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.792 115.3 47.6 -66.6 -28.9 52.6 3.7 25.2 41 42 A A H < S+ 0 0 71 -4,-1.5 3,-0.4 -5,-0.2 -2,-0.2 0.881 120.6 34.8 -79.3 -41.1 54.7 4.7 28.2 42 43 A D H < S+ 0 0 72 -4,-2.8 -2,-0.2 1,-0.2 2,-0.2 0.728 129.7 34.3 -85.6 -25.7 55.1 1.2 29.7 43 44 A N >< + 0 0 34 -4,-2.5 3,-2.2 -5,-0.4 4,-0.3 -0.563 63.1 167.9-131.9 70.6 55.2 -0.6 26.3 44 45 A Q G > S+ 0 0 146 -3,-0.4 3,-1.6 1,-0.3 4,-0.4 0.785 71.3 72.0 -51.1 -32.8 57.0 1.6 23.8 45 46 A E G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.558 91.0 58.9 -65.2 -7.2 57.3 -1.3 21.4 46 47 A T G X> S+ 0 0 7 -3,-2.2 3,-1.2 -7,-0.2 4,-0.5 0.591 79.1 87.4 -96.7 -11.9 53.5 -1.1 20.7 47 48 A I G X4 S+ 0 0 61 -3,-1.6 3,-1.5 -4,-0.3 -1,-0.1 0.841 77.1 67.0 -55.8 -36.9 53.5 2.5 19.4 48 49 A G G >4 S+ 0 0 46 -4,-0.4 3,-1.1 1,-0.3 -1,-0.2 0.834 92.0 60.8 -54.6 -35.8 54.3 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 0.771 98.2 59.9 -62.9 -26.5 50.9 -0.4 15.5 50 51 A F G X< + 0 0 49 -3,-1.5 3,-1.6 -4,-0.5 4,-0.4 -0.029 62.0 132.5 -96.7 32.8 49.2 3.0 16.1 51 52 A K G X + 0 0 160 -3,-1.1 3,-1.4 1,-0.3 -1,-0.2 0.801 65.4 62.6 -50.2 -38.4 50.7 4.8 13.1 52 53 A R G 3 S+ 0 0 94 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.779 94.1 61.7 -62.4 -29.1 47.3 6.1 12.0 53 54 A L G < S- 0 0 5 -3,-1.6 12,-0.4 1,-0.2 2,-0.3 0.581 94.9-150.2 -76.5 -10.4 46.8 8.2 15.2 54 55 A G < + 0 0 52 -3,-1.4 2,-1.4 -4,-0.4 -1,-0.2 -0.561 63.7 11.6 80.9-138.6 49.9 10.3 14.5 55 56 A N > - 0 0 83 -2,-0.3 3,-1.5 1,-0.2 4,-0.1 -0.623 63.5-179.6 -81.0 93.2 51.9 11.7 17.4 56 57 A V G > S+ 0 0 12 -2,-1.4 3,-1.6 1,-0.3 -1,-0.2 0.643 71.0 77.2 -68.5 -14.7 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 3,-0.1 0.678 80.2 71.9 -70.1 -14.5 52.8 11.6 22.8 58 59 A Q G X S- 0 0 99 -3,-1.5 3,-1.7 1,-0.2 -1,-0.3 0.604 82.1-176.0 -74.8 -11.3 50.4 14.6 22.5 59 60 A G G X + 0 0 9 -3,-1.6 3,-1.9 1,-0.3 7,-0.2 -0.240 63.7 8.6 56.6-128.1 47.9 12.7 24.6 60 61 A M G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.744 124.3 65.2 -57.7 -26.9 44.5 14.4 25.0 61 62 A A G < S+ 0 0 77 -3,-1.7 2,-0.8 4,-0.1 -1,-0.3 0.677 81.8 89.8 -72.0 -17.3 45.5 17.1 22.5 62 63 A N <> - 0 0 11 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 -0.731 64.8-160.7 -84.8 108.8 45.6 14.5 19.7 63 64 A D H > S+ 0 0 88 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.866 89.7 49.7 -58.2 -40.6 42.1 14.4 18.2 64 65 A K H > S+ 0 0 106 -11,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 111.8 48.6 -67.2 -39.0 42.6 11.0 16.6 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.908 112.0 49.5 -65.9 -41.8 43.9 9.5 19.8 66 67 A R H X S+ 0 0 22 -4,-2.5 4,-2.4 -7,-0.2 5,-0.2 0.904 111.0 48.7 -64.8 -41.4 41.0 11.0 21.7 67 68 A G H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.908 114.5 46.2 -64.6 -41.7 38.4 9.6 19.3 68 69 A H H X S+ 0 0 36 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.931 112.5 50.6 -64.1 -47.2 40.1 6.2 19.4 69 70 A S H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.881 109.9 48.2 -60.9 -43.5 40.3 6.3 23.2 70 71 A I H X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.2 3,-0.2 0.935 112.3 50.3 -63.3 -44.5 36.6 7.2 23.8 71 72 A T H X S+ 0 0 21 -4,-1.8 4,-1.0 1,-0.2 3,-0.5 0.865 104.2 58.0 -62.8 -35.6 35.6 4.5 21.3 72 73 A L H >X S+ 0 0 38 -4,-2.2 4,-1.7 1,-0.2 3,-0.7 0.902 102.7 55.0 -61.4 -38.4 37.7 1.9 23.1 73 74 A M H 3X S+ 0 0 1 -4,-1.5 4,-1.9 1,-0.3 -1,-0.2 0.793 103.3 54.8 -66.4 -26.7 35.8 2.7 26.3 74 75 A Y H 3X S+ 0 0 11 -4,-1.0 4,-1.7 -3,-0.5 -1,-0.3 0.711 102.5 57.1 -79.0 -18.7 32.5 1.9 24.5 75 76 A A H < S+ 0 0 13 -4,-2.2 3,-0.7 1,-0.2 4,-0.4 0.921 110.8 49.9 -56.1 -47.7 31.4 -6.2 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.5 3,-1.4 1,-0.2 4,-0.2 0.915 108.3 53.3 -60.0 -41.6 30.0 -5.3 30.5 81 82 A D H 3< S+ 0 0 65 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.733 108.0 51.9 -66.8 -20.5 26.5 -5.0 29.1 82 83 A Q T X< S+ 0 0 21 -4,-1.2 3,-1.3 -3,-0.7 7,-0.5 0.409 76.2 101.6 -95.8 1.9 26.8 -8.6 27.6 83 84 A L T < S+ 0 0 7 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.790 75.0 61.3 -57.5 -28.4 27.8 -10.3 30.9 84 85 A D T 3 S+ 0 0 127 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.798 109.1 42.3 -68.7 -28.2 24.3 -11.6 31.4 85 86 A N X> - 0 0 59 -3,-1.3 4,-2.1 1,-0.1 3,-0.8 -0.890 64.1-166.6-126.8 103.4 24.4 -13.6 28.2 86 87 A P H 3> S+ 0 0 74 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.808 89.2 57.7 -56.1 -35.0 27.5 -15.6 27.2 87 88 A D H 3> S+ 0 0 97 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.869 111.5 43.2 -66.2 -33.1 26.5 -16.2 23.6 88 89 A D H <> S+ 0 0 9 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.840 112.0 52.6 -79.2 -34.6 26.1 -12.4 23.1 89 90 A L H X S+ 0 0 4 -4,-2.1 4,-2.4 -7,-0.5 3,-0.2 0.943 109.7 50.7 -64.7 -44.5 29.4 -11.7 24.9 90 91 A V H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.909 107.9 50.8 -61.0 -43.2 31.2 -14.2 22.7 91 92 A C H X S+ 0 0 6 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.831 113.2 44.7 -68.5 -28.5 29.8 -12.7 19.4 92 93 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.2 -1,-0.2 0.859 111.8 53.5 -80.5 -33.7 30.9 -9.1 20.3 93 94 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.927 108.3 49.6 -63.4 -42.9 34.3 -10.3 21.5 94 95 A E H X S+ 0 0 63 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.814 106.1 57.5 -67.2 -26.9 34.9 -12.1 18.2 95 96 A K H X S+ 0 0 35 -4,-0.9 4,-1.2 1,-0.2 -1,-0.2 0.954 112.2 39.7 -67.3 -47.7 33.9 -8.9 16.4 96 97 A F H X S+ 0 0 36 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.809 108.9 62.0 -71.8 -27.5 36.6 -7.0 18.2 97 98 A A H >X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 3,-0.9 0.933 101.9 52.2 -61.9 -43.9 39.0 -9.8 17.9 98 99 A V H 3X S+ 0 0 45 -4,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.882 101.9 60.2 -59.1 -38.1 38.8 -9.6 14.1 99 100 A N H 3< S+ 0 0 32 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.815 114.4 36.3 -59.0 -30.6 39.6 -5.9 14.4 100 101 A H H X<>S+ 0 0 65 -4,-1.1 5,-2.3 -3,-0.9 3,-0.9 0.801 108.8 60.7 -93.9 -32.0 42.9 -6.8 16.0 101 102 A I H ><5S+ 0 0 81 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.898 104.2 52.7 -60.7 -38.8 43.7 -10.0 14.0 102 103 A T T 3<5S+ 0 0 96 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.663 106.9 53.3 -70.1 -17.2 43.7 -7.9 10.9 103 104 A R T < 5S- 0 0 127 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.270 118.7-114.1 -98.0 5.5 46.2 -5.6 12.6 104 105 A K T < 5 + 0 0 171 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.835 60.9 156.8 65.9 34.9 48.4 -8.5 13.4 105 106 A I < - 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