==== 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 3UHG . 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) . 13558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 84.1 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 . 64 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 57.6 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 0 1 0 1 1 0 0 0 2 4 2 0 0 1 1 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 90 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 123.9 38.4 -21.7 23.7 2 3 A V H > + 0 0 9 141,-0.3 4,-2.0 1,-0.2 142,-0.1 0.811 360.0 54.1 -62.3 -30.0 36.6 -18.4 24.0 3 4 A Y H > S+ 0 0 125 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.861 108.5 46.5 -73.6 -37.0 33.6 -20.3 25.4 4 5 A D H 4 S+ 0 0 114 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.882 112.8 51.2 -71.2 -37.0 35.6 -21.9 28.2 5 6 A A H >< S+ 0 0 18 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.909 107.9 51.8 -64.2 -43.7 37.2 -18.5 28.9 6 7 A A H >< S+ 0 0 12 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.797 100.8 63.2 -63.1 -30.3 33.8 -16.9 29.1 7 8 A A T 3< S+ 0 0 71 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.679 89.6 69.3 -69.0 -16.7 32.8 -19.6 31.6 8 9 A Q T < S+ 0 0 105 -3,-1.4 2,-1.7 -4,-0.5 -1,-0.3 0.502 71.9 97.1 -78.5 -5.4 35.4 -18.3 34.0 9 10 A L < - 0 0 15 -3,-1.5 -1,-0.1 -4,-0.1 -3,-0.0 -0.624 63.3-178.7 -87.8 80.3 33.4 -15.1 34.5 10 11 A T > - 0 0 72 -2,-1.7 4,-2.8 1,-0.1 5,-0.2 -0.138 43.8 -91.6 -73.7 173.5 31.7 -16.3 37.8 11 12 A A H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.892 127.0 46.8 -52.8 -46.2 29.2 -14.4 39.8 12 13 A D H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 112.2 49.4 -67.0 -38.7 31.9 -12.7 42.0 13 14 A V H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.921 110.7 51.1 -66.4 -43.0 34.0 -11.8 39.0 14 15 A K H X S+ 0 0 61 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.900 109.6 49.5 -61.3 -41.8 31.0 -10.2 37.2 15 16 A K H X S+ 0 0 114 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.909 110.7 49.9 -64.2 -42.2 30.1 -8.2 40.3 16 17 A D H X S+ 0 0 29 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.859 110.5 50.6 -65.2 -35.7 33.7 -6.9 40.6 17 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.934 114.1 43.9 -67.4 -44.6 33.7 -5.9 37.0 18 19 A R H X S+ 0 0 81 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.921 112.9 50.9 -66.4 -45.9 30.4 -4.0 37.3 19 20 A D H X S+ 0 0 55 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.900 115.8 40.9 -59.8 -43.7 31.3 -2.3 40.6 20 21 A S H >X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 3,-0.6 0.822 110.8 57.8 -75.3 -31.8 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 5,-0.2 0.849 94.2 66.2 -67.5 -31.8 33.2 -0.1 35.8 22 23 A K H 3< S+ 0 0 169 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.874 111.9 36.2 -56.2 -34.3 30.7 2.2 37.5 23 24 A V H X< S+ 0 0 52 -4,-0.6 3,-1.0 -3,-0.6 4,-0.3 0.956 123.5 35.7 -84.7 -57.5 33.7 4.3 38.5 24 25 A I H >< S+ 0 0 8 -4,-2.2 3,-0.7 1,-0.2 7,-0.2 0.763 114.2 58.8 -71.4 -22.5 36.1 4.1 35.6 25 26 A G T 3< S+ 0 0 4 -4,-2.4 3,-0.5 -5,-0.3 -1,-0.2 0.585 88.3 75.3 -81.2 -8.7 33.4 4.1 33.0 26 27 A S T < S+ 0 0 99 -3,-1.0 2,-0.2 1,-0.3 -1,-0.2 0.660 102.3 38.6 -76.0 -17.3 32.0 7.4 34.2 27 28 A D <> + 0 0 75 -3,-0.7 4,-2.5 -4,-0.3 5,-0.4 -0.668 68.0 164.8-133.6 76.8 34.9 9.3 32.6 28 29 A K H > S+ 0 0 36 -3,-0.5 4,-1.7 -2,-0.2 5,-0.3 0.880 76.1 47.9 -62.4 -41.9 35.5 7.5 29.3 29 30 A K H > S+ 0 0 63 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.964 117.4 40.8 -65.2 -51.6 37.5 10.3 27.7 30 31 A G H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.946 123.2 36.7 -62.4 -52.7 39.8 10.8 30.7 31 32 A N H X S+ 0 0 11 -4,-2.5 4,-2.0 -7,-0.2 -1,-0.2 0.773 114.5 57.3 -73.1 -27.8 40.3 7.2 31.7 32 33 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.4 -2,-0.2 0.950 111.0 41.5 -67.2 -48.5 40.4 6.0 28.1 33 34 A V H X S+ 0 0 10 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.865 112.5 56.4 -65.6 -36.7 43.3 8.3 27.2 34 35 A A H X S+ 0 0 32 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.903 106.8 49.4 -62.6 -41.3 45.0 7.5 30.5 35 36 A M H X S+ 0 0 9 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.934 114.0 45.4 -62.7 -47.1 44.9 3.8 29.6 36 37 A M H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.925 112.4 48.4 -63.7 -48.3 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 0.829 111.5 51.9 -63.2 -31.0 49.1 6.8 27.2 38 39 A T H X S+ 0 0 31 -4,-1.6 4,-3.0 -5,-0.3 5,-0.3 0.896 107.9 51.9 -71.2 -39.4 50.1 4.3 30.0 39 40 A L H X S+ 0 0 15 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.936 112.3 45.4 -60.1 -46.8 50.3 1.5 27.4 40 41 A F H < S+ 0 0 9 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.824 115.8 46.9 -67.0 -32.8 52.6 3.6 25.2 41 42 A A H < S+ 0 0 72 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.901 120.0 36.7 -76.5 -42.9 54.7 4.7 28.2 42 43 A D H < S+ 0 0 73 -4,-3.0 2,-0.2 1,-0.2 -2,-0.2 0.764 128.9 33.5 -81.7 -26.9 55.1 1.2 29.7 43 44 A N >< + 0 0 34 -4,-2.4 3,-2.2 -5,-0.3 4,-0.3 -0.560 63.0 168.9-131.2 71.1 55.3 -0.7 26.4 44 45 A Q G > S+ 0 0 147 -3,-0.4 3,-1.4 1,-0.3 4,-0.3 0.762 71.6 72.0 -50.7 -31.2 57.1 1.5 23.9 45 46 A E G 3 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.545 91.8 58.3 -66.6 -5.9 57.4 -1.4 21.4 46 47 A T G X S+ 0 0 8 -3,-2.2 3,-1.3 -7,-0.2 4,-0.5 0.590 79.1 87.1 -98.4 -12.7 53.6 -1.2 20.7 47 48 A I G X S+ 0 0 61 -3,-1.4 3,-1.3 -4,-0.3 -1,-0.1 0.818 77.3 68.0 -55.9 -34.0 53.6 2.4 19.5 48 49 A G G > S+ 0 0 45 -4,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.825 91.6 60.5 -56.8 -34.0 54.4 1.3 15.9 49 50 A Y G < S+ 0 0 99 -3,-1.3 3,-0.3 1,-0.3 -1,-0.3 0.751 97.9 60.0 -65.5 -25.3 51.0 -0.4 15.6 50 51 A F G X + 0 0 48 -3,-1.3 3,-1.3 -4,-0.5 4,-0.4 -0.090 62.5 133.2 -98.0 36.0 49.2 2.9 16.2 51 52 A K G X + 0 0 172 -3,-0.9 3,-1.5 1,-0.3 -1,-0.2 0.843 65.8 61.1 -51.9 -42.1 50.7 4.7 13.2 52 53 A R G 3 S+ 0 0 94 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.768 94.5 62.8 -59.8 -29.4 47.4 6.1 12.1 53 54 A L G < S- 0 0 5 -3,-1.3 12,-0.3 1,-0.2 -1,-0.3 0.588 94.4-150.6 -75.3 -10.6 46.9 8.1 15.3 54 55 A G < + 0 0 51 -3,-1.5 2,-1.3 -4,-0.4 -1,-0.2 -0.559 62.9 11.0 81.1-140.2 50.0 10.2 14.6 55 56 A D > - 0 0 84 -2,-0.3 3,-1.5 1,-0.2 4,-0.1 -0.630 63.5-179.7 -80.4 92.6 52.0 11.7 17.5 56 57 A V G > S+ 0 0 13 -2,-1.3 3,-1.5 1,-0.3 -1,-0.2 0.626 70.9 77.2 -69.1 -14.0 50.5 9.8 20.5 57 58 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.679 80.8 71.5 -70.2 -15.4 52.8 11.6 22.9 58 59 A Q G X S- 0 0 101 -3,-1.5 3,-1.6 1,-0.2 -1,-0.3 0.651 81.9-177.4 -73.4 -15.6 50.5 14.6 22.6 59 60 A G G X + 0 0 9 -3,-1.5 3,-2.2 1,-0.3 7,-0.2 -0.275 63.5 9.3 58.5-129.4 47.9 12.7 24.6 60 61 A M G 3 S+ 0 0 83 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.743 124.7 64.3 -55.5 -27.6 44.6 14.4 25.1 61 62 A A G < S+ 0 0 77 -3,-1.6 2,-0.8 4,-0.1 -1,-0.3 0.664 82.7 89.2 -72.8 -15.8 45.6 17.1 22.6 62 63 A N <> - 0 0 12 -3,-2.2 4,-2.4 1,-0.2 5,-0.2 -0.751 65.2-160.6 -86.3 109.4 45.7 14.5 19.8 63 64 A D H > S+ 0 0 89 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.874 89.4 50.4 -57.7 -42.4 42.2 14.4 18.3 64 65 A K H > S+ 0 0 106 -11,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 111.7 48.0 -64.4 -39.7 42.7 11.0 16.7 65 66 A L H > S+ 0 0 0 -12,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.897 112.1 49.7 -67.8 -39.7 44.0 9.5 19.9 66 67 A R H X S+ 0 0 22 -4,-2.4 4,-2.4 -7,-0.2 5,-0.2 0.921 112.0 47.4 -66.0 -43.2 41.1 11.0 21.9 67 68 A G H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.900 114.7 46.8 -64.2 -40.7 38.5 9.6 19.4 68 69 A H H X S+ 0 0 36 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.925 112.7 49.9 -65.2 -46.1 40.2 6.2 19.5 69 70 A S H X S+ 0 0 0 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.871 109.9 48.6 -62.4 -42.5 40.3 6.2 23.3 70 71 A I H X S+ 0 0 1 -4,-2.4 4,-1.1 1,-0.2 3,-0.3 0.939 112.6 49.6 -63.5 -45.8 36.7 7.2 23.8 71 72 A T H X S+ 0 0 22 -4,-1.8 4,-0.8 1,-0.2 3,-0.3 0.849 104.9 57.7 -62.0 -35.8 35.6 4.5 21.4 72 73 A L H >X S+ 0 0 45 -4,-2.0 4,-1.4 1,-0.2 3,-0.7 0.884 103.0 54.6 -62.5 -37.4 37.8 1.9 23.1 73 74 A M H 3X S+ 0 0 1 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.796 103.2 55.3 -67.4 -28.0 35.9 2.6 26.3 74 75 A Y H 3X S+ 0 0 11 -4,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.699 101.9 58.1 -77.2 -18.1 32.6 1.9 24.6 75 76 A A H < S+ 0 0 14 -4,-2.1 3,-0.9 1,-0.2 4,-0.5 0.939 110.8 50.9 -54.8 -50.6 31.4 -6.2 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.6 3,-1.3 1,-0.3 4,-0.2 0.899 108.1 52.2 -56.2 -43.5 30.0 -5.3 30.5 81 82 A D H 3< S+ 0 0 63 -4,-2.4 3,-0.4 1,-0.2 -1,-0.3 0.744 108.1 53.1 -66.9 -21.9 26.5 -5.0 29.2 82 83 A Q T X< S+ 0 0 21 -4,-1.2 3,-1.1 -3,-0.9 7,-0.5 0.440 76.1 100.8 -93.0 0.2 26.8 -8.5 27.7 83 84 A L T < S+ 0 0 7 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.1 0.788 75.9 60.7 -55.7 -29.9 27.9 -10.3 30.9 84 85 A D T 3 S+ 0 0 124 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.843 108.8 43.0 -67.3 -33.8 24.4 -11.6 31.5 85 86 A N X> - 0 0 60 -3,-1.1 4,-2.2 -4,-0.1 3,-0.7 -0.893 64.2-166.7-120.9 104.2 24.4 -13.6 28.2 86 87 A P H 3> S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.781 89.1 57.8 -57.1 -31.0 27.6 -15.6 27.3 87 88 A D H 3> S+ 0 0 97 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.869 111.3 42.1 -69.5 -34.4 26.4 -16.1 23.7 88 89 A D H <> S+ 0 0 9 -3,-0.7 4,-1.7 -6,-0.2 5,-0.2 0.848 112.2 54.1 -78.7 -36.1 26.2 -12.4 23.1 89 90 A L H X S+ 0 0 4 -4,-2.2 4,-2.1 -7,-0.5 -2,-0.2 0.939 109.0 50.0 -61.9 -45.2 29.4 -11.7 25.0 90 91 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.890 108.3 51.0 -61.9 -40.9 31.2 -14.2 22.7 91 92 A C H X S+ 0 0 7 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.841 112.9 44.6 -70.3 -30.0 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 0.845 112.4 53.6 -79.3 -32.5 30.9 -9.1 20.3 93 94 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.929 108.8 48.1 -65.3 -44.0 34.3 -10.4 21.6 94 95 A E H X S+ 0 0 63 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.804 107.0 58.1 -67.5 -26.8 35.0 -12.1 18.3 95 96 A K H X S+ 0 0 32 -4,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.956 112.2 39.2 -66.5 -48.6 33.9 -9.0 16.4 96 97 A F H X S+ 0 0 35 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.780 108.7 62.9 -71.5 -26.5 36.6 -7.0 18.2 97 98 A A H >X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 3,-0.7 0.916 101.3 52.3 -63.0 -41.9 39.1 -9.9 18.0 98 99 A V H 3X S+ 0 0 45 -4,-1.7 4,-2.1 1,-0.3 -1,-0.2 0.858 101.3 60.7 -61.1 -36.8 38.9 -9.6 14.2 99 100 A N H 3< S+ 0 0 39 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.815 114.5 35.6 -60.8 -30.8 39.7 -5.9 14.5 100 101 A H H <<>S+ 0 0 65 -4,-1.0 5,-2.4 -3,-0.7 3,-0.5 0.768 109.4 61.1 -94.6 -29.5 43.0 -6.8 16.1 101 102 A I H ><5S+ 0 0 79 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.902 104.5 51.7 -63.2 -39.2 43.7 -10.0 14.1 102 103 A T T 3<5S+ 0 0 95 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.699 107.0 53.8 -69.5 -19.7 43.8 -7.9 11.0 103 104 A R T 3 5S- 0 0 127 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.357 118.6-114.3 -94.3 4.1 46.3 -5.6 12.7 104 105 A K T < 5 + 0 0 169 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.847 60.1 157.8 67.6 35.8 48.5 -8.6 13.5 105 106 A I < - 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