==== 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 3UHC . 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) . 13703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 83.8 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 . 165 56.9 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 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 89 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 121.9 38.4 -21.7 23.7 2 3 A V H > + 0 0 11 141,-0.3 4,-2.2 1,-0.2 5,-0.1 0.825 360.0 55.5 -64.9 -31.3 36.5 -18.4 24.0 3 4 A Y H > S+ 0 0 122 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.885 108.5 45.7 -70.0 -38.4 33.5 -20.3 25.4 4 5 A D H 4 S+ 0 0 115 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.857 112.7 52.4 -71.5 -33.4 35.5 -21.9 28.2 5 6 A A H >< S+ 0 0 18 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.903 107.1 51.5 -66.9 -41.7 37.1 -18.5 28.9 6 7 A A H >< S+ 0 0 10 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.785 101.6 62.3 -65.6 -27.6 33.6 -16.9 29.1 7 8 A A T 3< S+ 0 0 69 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.686 89.8 69.5 -71.1 -18.2 32.7 -19.6 31.6 8 9 A Q T < S+ 0 0 114 -3,-1.2 2,-1.7 -4,-0.5 -1,-0.3 0.564 72.4 97.2 -76.3 -9.0 35.4 -18.3 33.9 9 10 A L < - 0 0 15 -3,-1.3 -1,-0.1 -4,-0.2 -3,-0.0 -0.608 63.3-176.5 -84.8 82.8 33.3 -15.2 34.6 10 11 A T > - 0 0 70 -2,-1.7 4,-2.8 1,-0.1 5,-0.2 -0.107 42.7 -93.3 -72.8 173.6 31.7 -16.3 37.8 11 12 A A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.907 127.3 47.9 -55.2 -45.4 29.1 -14.4 39.8 12 13 A D H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 112.0 48.9 -64.5 -42.1 31.8 -12.8 42.0 13 14 A V H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.924 110.8 50.1 -64.7 -44.5 33.9 -11.8 38.9 14 15 A K H X S+ 0 0 58 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.881 110.3 51.4 -61.9 -37.4 31.0 -10.3 37.2 15 16 A K H X S+ 0 0 111 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.927 109.5 48.3 -65.6 -45.8 30.1 -8.3 40.3 16 17 A D H X S+ 0 0 29 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.857 111.2 51.5 -63.8 -34.9 33.6 -6.9 40.6 17 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.928 112.6 45.3 -67.2 -44.4 33.6 -5.9 37.0 18 19 A R H X S+ 0 0 82 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.916 113.2 49.3 -65.3 -44.6 30.3 -4.1 37.3 19 20 A D H X S+ 0 0 53 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.891 115.5 42.3 -63.3 -42.1 31.2 -2.3 40.5 20 21 A S H >X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 3,-0.7 0.834 110.8 56.5 -74.9 -32.4 34.6 -1.0 39.2 21 22 A W H 3X S+ 0 0 15 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.809 94.0 67.6 -68.9 -28.6 33.2 -0.1 35.8 22 23 A K H 3< S+ 0 0 163 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.856 112.6 33.4 -58.0 -32.5 30.6 2.1 37.5 23 24 A V H X< S+ 0 0 50 -3,-0.7 3,-1.1 -4,-0.5 4,-0.3 0.922 122.9 40.6 -88.8 -54.1 33.6 4.3 38.4 24 25 A I H >< S+ 0 0 12 -4,-2.4 3,-0.9 1,-0.2 7,-0.2 0.834 113.2 55.7 -67.4 -31.1 36.1 4.0 35.5 25 26 A G T 3< S+ 0 0 6 -4,-2.4 3,-0.5 -5,-0.3 -1,-0.2 0.527 88.3 79.0 -79.3 -3.9 33.3 4.1 32.9 26 27 A S T < S+ 0 0 97 -3,-1.1 2,-0.2 1,-0.3 -1,-0.2 0.671 101.7 35.8 -76.2 -18.7 32.1 7.4 34.2 27 28 A D <> + 0 0 76 -3,-0.9 4,-2.5 -4,-0.3 5,-0.4 -0.679 68.0 166.3-135.4 78.4 34.8 9.3 32.5 28 29 A K H > S+ 0 0 32 -3,-0.5 4,-1.4 -2,-0.2 5,-0.2 0.854 77.3 47.4 -63.7 -38.0 35.5 7.6 29.2 29 30 A K H > S+ 0 0 62 3,-0.2 4,-2.0 2,-0.2 5,-0.2 0.958 117.3 41.4 -69.4 -50.2 37.5 10.4 27.6 30 31 A G H > S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.954 123.5 35.7 -62.9 -53.7 39.8 10.8 30.7 31 32 A N H X S+ 0 0 14 -4,-2.5 4,-2.2 -7,-0.2 -1,-0.2 0.781 114.2 58.6 -73.4 -26.9 40.3 7.2 31.6 32 33 A G H X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.4 -1,-0.2 0.939 110.8 41.0 -66.6 -46.4 40.4 6.1 28.0 33 34 A V H X S+ 0 0 10 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.863 112.2 57.1 -68.2 -35.9 43.3 8.3 27.1 34 35 A A H X S+ 0 0 30 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.915 106.5 49.6 -60.9 -43.1 44.9 7.4 30.5 35 36 A L H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.935 114.1 44.5 -60.5 -48.5 44.8 3.7 29.5 36 37 A M H X S+ 0 0 3 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.913 112.5 49.6 -65.0 -45.7 46.4 4.4 26.1 37 38 A T H X S+ 0 0 49 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.859 111.4 50.6 -63.9 -33.6 49.1 6.8 27.3 38 39 A T H X S+ 0 0 30 -4,-1.9 4,-2.6 -5,-0.3 5,-0.3 0.903 108.1 52.8 -69.6 -40.5 50.1 4.3 30.0 39 40 A L H X S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.939 112.0 45.4 -58.0 -48.1 50.3 1.5 27.4 40 41 A F H < S+ 0 0 11 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.803 114.0 49.3 -67.1 -31.0 52.6 3.6 25.3 41 42 A A H < S+ 0 0 63 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.894 120.2 33.5 -76.6 -41.5 54.7 4.6 28.3 42 43 A D H < S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.710 130.6 33.9 -87.5 -23.1 55.2 1.1 29.7 43 44 A N >< + 0 0 34 -4,-2.2 3,-2.2 -5,-0.3 4,-0.3 -0.531 64.5 165.6-132.2 67.2 55.3 -0.7 26.4 44 45 A Q G > + 0 0 140 -3,-0.4 3,-1.2 1,-0.3 4,-0.3 0.711 69.5 73.3 -54.6 -23.4 56.9 1.6 23.9 45 46 A E G 3 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.539 90.0 59.5 -72.5 -4.1 57.4 -1.3 21.5 46 47 A T G X S+ 0 0 7 -3,-2.2 3,-1.4 -7,-0.2 4,-0.5 0.585 79.4 87.3 -97.4 -12.4 53.6 -1.2 20.8 47 48 A I G X S+ 0 0 63 -3,-1.2 3,-1.7 -4,-0.3 -1,-0.1 0.842 76.5 67.1 -55.1 -37.9 53.6 2.4 19.5 48 49 A G G > S+ 0 0 57 -4,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.788 91.6 62.0 -55.6 -30.3 54.4 1.3 15.9 49 50 A Y G < S+ 0 0 100 -3,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.754 97.7 59.0 -67.5 -24.9 51.1 -0.4 15.6 50 51 A F G X + 0 0 50 -3,-1.7 3,-1.6 -4,-0.5 4,-0.4 -0.096 61.2 133.4 -99.2 36.2 49.3 2.9 16.1 51 52 A K G X + 0 0 179 -3,-0.9 3,-1.5 1,-0.3 -1,-0.2 0.828 65.8 63.8 -53.3 -37.2 50.8 4.7 13.1 52 53 A R G 3 S+ 0 0 96 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.765 94.1 61.3 -61.4 -26.6 47.4 6.0 12.0 53 54 A L G < S- 0 0 6 -3,-1.6 12,-0.3 1,-0.3 -1,-0.3 0.588 95.5-148.6 -78.8 -9.9 47.0 8.1 15.2 54 55 A G < + 0 0 51 -3,-1.5 2,-1.2 -4,-0.4 -1,-0.3 -0.563 63.9 8.3 81.3-142.2 50.1 10.2 14.5 55 56 A D > - 0 0 85 -2,-0.2 3,-1.3 1,-0.2 10,-0.1 -0.648 63.3-177.8 -80.6 97.9 52.1 11.5 17.4 56 57 A V G > S+ 0 0 11 -2,-1.2 3,-1.8 1,-0.3 -1,-0.2 0.644 71.3 78.3 -70.9 -15.9 50.7 9.7 20.4 57 58 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.708 81.0 70.8 -66.4 -17.4 53.0 11.5 22.9 58 59 A Q G X S- 0 0 106 -3,-1.3 3,-1.8 1,-0.2 -1,-0.3 0.608 81.5-179.0 -74.5 -11.1 50.6 14.5 22.5 59 60 A G G X + 0 0 9 -3,-1.8 3,-2.2 1,-0.3 7,-0.2 -0.206 63.8 10.6 53.9-127.2 48.0 12.6 24.5 60 61 A M G 3 S+ 0 0 84 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.742 124.0 64.6 -56.0 -27.5 44.7 14.5 25.0 61 62 A A G < S+ 0 0 72 -3,-1.8 2,-0.8 1,-0.1 -1,-0.3 0.594 82.7 90.6 -74.2 -10.7 45.8 17.1 22.5 62 63 A N <> - 0 0 16 -3,-2.2 4,-2.5 1,-0.2 5,-0.2 -0.790 63.9-161.4 -91.4 107.9 45.8 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 0.873 90.0 48.5 -55.2 -44.2 42.3 14.4 18.1 64 65 A K H > S+ 0 0 110 -11,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 112.1 48.8 -66.8 -37.7 42.8 11.0 16.6 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.898 111.5 50.2 -68.7 -39.3 44.0 9.5 19.8 66 67 A R H X S+ 0 0 25 -4,-2.5 4,-2.3 -7,-0.2 5,-0.2 0.919 111.1 47.9 -65.3 -43.5 41.1 11.0 21.8 67 68 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.896 113.9 47.7 -63.6 -41.0 38.6 9.6 19.3 68 69 A H H X S+ 0 0 39 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.932 111.4 50.3 -63.8 -48.0 40.2 6.2 19.5 69 70 A S H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.887 110.4 48.4 -59.9 -43.8 40.4 6.2 23.3 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.928 112.1 50.1 -63.3 -44.1 36.7 7.2 23.7 71 72 A T H X S+ 0 0 19 -4,-1.9 4,-1.0 1,-0.2 3,-0.5 0.880 105.7 56.6 -60.9 -40.3 35.7 4.5 21.2 72 73 A L H >X S+ 0 0 44 -4,-2.4 4,-1.7 1,-0.2 3,-0.8 0.904 103.2 54.5 -58.9 -42.0 37.8 1.9 23.1 73 74 A M H 3X S+ 0 0 2 -4,-1.7 4,-1.9 1,-0.3 -1,-0.2 0.789 103.7 55.3 -63.9 -28.3 35.8 2.6 26.3 74 75 A Y H 3X S+ 0 0 10 -4,-1.1 4,-1.8 -3,-0.5 -1,-0.3 0.740 103.1 55.6 -76.6 -21.9 32.6 1.9 24.5 75 76 A A H < S+ 0 0 13 -4,-1.8 3,-0.7 1,-0.2 4,-0.3 0.946 110.6 47.6 -62.3 -48.9 31.5 -6.2 27.2 80 81 A I H >< S+ 0 0 6 -4,-2.2 3,-1.3 1,-0.2 4,-0.2 0.891 109.0 53.8 -60.3 -41.9 30.0 -5.3 30.6 81 82 A D H 3< S+ 0 0 67 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.724 108.3 51.6 -66.9 -21.0 26.5 -4.9 29.2 82 83 A Q T X< S+ 0 0 23 -4,-1.0 3,-0.9 -3,-0.7 7,-0.5 0.349 75.2 104.4 -97.5 5.1 26.7 -8.5 27.7 83 84 A L T < S+ 0 0 7 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.793 74.0 60.6 -58.0 -29.3 27.8 -10.2 30.9 84 85 A D T 3 S+ 0 0 125 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.855 107.6 44.5 -67.5 -35.0 24.3 -11.7 31.5 85 86 A N X> - 0 0 59 -3,-0.9 4,-2.2 1,-0.1 3,-0.7 -0.893 64.5-167.0-117.4 104.8 24.3 -13.7 28.2 86 87 A P H 3> S+ 0 0 69 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.830 88.5 58.0 -56.4 -35.8 27.5 -15.6 27.4 87 88 A D H 3> S+ 0 0 94 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.865 111.3 41.7 -65.0 -35.4 26.4 -16.2 23.8 88 89 A D H <> S+ 0 0 10 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.844 111.9 54.5 -79.6 -34.7 26.1 -12.5 23.1 89 90 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 -7,-0.5 -2,-0.2 0.947 108.5 51.2 -61.4 -46.7 29.3 -11.6 25.0 90 91 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.906 108.0 49.4 -58.7 -45.6 31.1 -14.1 22.8 91 92 A C H X S+ 0 0 7 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.843 112.9 48.1 -67.5 -28.6 29.8 -12.6 19.5 92 93 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.908 111.8 49.7 -75.1 -40.7 30.8 -9.1 20.6 93 94 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.916 109.8 50.8 -62.5 -44.6 34.2 -10.2 21.7 94 95 A E H X S+ 0 0 67 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.800 105.5 57.7 -65.1 -28.6 34.8 -12.0 18.4 95 96 A K H X S+ 0 0 34 -4,-1.1 4,-1.0 -5,-0.2 -1,-0.2 0.970 113.0 38.4 -63.6 -50.5 33.8 -8.8 16.5 96 97 A F H X S+ 0 0 35 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.790 109.6 62.5 -70.9 -26.9 36.5 -6.8 18.2 97 98 A A H >X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 3,-1.1 0.917 100.0 54.1 -63.4 -42.2 39.0 -9.7 18.1 98 99 A V H 3X S+ 0 0 40 -4,-1.7 4,-2.1 1,-0.3 -1,-0.2 0.868 100.2 61.1 -59.4 -37.4 38.8 -9.5 14.3 99 100 A N H 3< S+ 0 0 42 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.791 113.2 37.1 -60.1 -28.2 39.7 -5.8 14.4 100 101 A H H <<>S+ 0 0 65 -3,-1.1 5,-2.5 -4,-0.9 3,-0.3 0.767 108.5 60.3 -95.6 -29.8 43.0 -6.9 16.1 101 102 A I H ><5S+ 0 0 79 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.916 104.8 51.6 -63.2 -40.6 43.7 -10.1 14.1 102 103 A T T 3<5S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.733 107.3 54.1 -66.9 -21.9 43.8 -8.0 11.0 103 104 A R T 3 5S- 0 0 136 -3,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 0.344 118.1-114.7 -92.3 4.0 46.3 -5.7 12.7 104 105 A K T < 5 + 0 0 169 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.799 60.3 157.0 67.8 31.6 48.5 -8.7 13.5 105 106 A I < - 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