==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING 04-FEB-09 3G4V . COMPND 2 MOLECULE: GLOBIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR J.E.KNAPP,R.PAHL,J.COHEN,J.C.NICHOLS,K.SCHULTEN,Q.H.GIBSON, . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 86.2 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 . 67 23.1 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 95 0, 0.0 4,-2.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 112.0 38.4 -21.8 23.7 2 3 A V H 3> + 0 0 13 141,-0.4 4,-2.2 1,-0.3 5,-0.1 0.828 360.0 54.9 -53.3 -32.1 36.7 -18.4 24.0 3 4 A Y H 3> S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.879 107.6 46.1 -70.5 -39.7 33.7 -20.3 25.4 4 5 A D H <> S+ 0 0 115 -3,-0.5 4,-0.5 2,-0.2 -2,-0.2 0.873 112.4 53.0 -70.0 -35.1 35.7 -21.9 28.2 5 6 A A H >< S+ 0 0 19 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.923 106.3 52.2 -64.1 -43.7 37.2 -18.5 28.9 6 7 A A H >< S+ 0 0 12 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.810 100.8 62.0 -62.3 -30.4 33.8 -17.0 29.2 7 8 A A H 3< S+ 0 0 76 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.690 89.7 71.2 -68.7 -18.1 32.8 -19.7 31.7 8 9 A Q T << S+ 0 0 105 -3,-1.4 2,-1.6 -4,-0.5 -1,-0.3 0.565 73.1 93.7 -74.0 -9.4 35.6 -18.3 33.9 9 10 A L < + 0 0 13 -3,-1.6 -1,-0.2 -4,-0.2 -3,-0.0 -0.554 62.5 177.7 -88.1 76.0 33.4 -15.2 34.6 10 11 A T > - 0 0 72 -2,-1.6 4,-2.7 1,-0.1 5,-0.2 -0.070 46.8 -90.0 -70.1 174.6 31.8 -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 0.882 127.5 49.5 -53.6 -45.0 29.3 -14.3 39.9 12 13 A D H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 111.8 48.4 -64.1 -41.9 32.1 -12.8 42.0 13 14 A V H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.941 111.7 48.6 -64.5 -48.2 34.1 -11.8 38.9 14 15 A K H X S+ 0 0 57 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.873 110.3 53.0 -60.3 -37.2 31.2 -10.2 37.1 15 16 A K H X S+ 0 0 111 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.932 109.6 46.8 -64.8 -46.7 30.3 -8.3 40.3 16 17 A D H X S+ 0 0 27 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.835 111.1 53.3 -64.7 -32.8 33.8 -6.8 40.6 17 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.950 112.8 43.3 -66.7 -47.4 33.8 -5.9 36.9 18 19 A R H X S+ 0 0 78 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.936 113.2 50.9 -62.9 -49.9 30.5 -4.0 37.3 19 20 A D H X S+ 0 0 53 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.924 115.7 41.2 -55.7 -48.4 31.4 -2.3 40.5 20 21 A S H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 3,-0.5 0.856 111.6 56.5 -70.3 -33.9 34.7 -1.0 39.2 21 22 A W H X S+ 0 0 16 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.836 96.1 65.1 -66.9 -31.2 33.2 -0.1 35.8 22 23 A K H < S+ 0 0 163 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.886 112.2 35.1 -57.5 -39.1 30.7 2.1 37.5 23 24 A V H >< S+ 0 0 66 -4,-0.8 3,-0.7 -3,-0.5 4,-0.3 0.954 125.3 36.7 -80.6 -55.3 33.5 4.4 38.6 24 25 A I H >< S+ 0 0 15 -4,-2.3 3,-1.8 1,-0.2 7,-0.3 0.923 112.7 57.2 -65.5 -45.9 36.0 4.2 35.7 25 26 A G G >< S+ 0 0 3 -4,-2.2 3,-0.5 -5,-0.3 -1,-0.2 0.655 90.0 76.2 -61.0 -15.7 33.4 4.1 32.9 26 27 A S G < S+ 0 0 96 -3,-0.7 2,-0.3 -5,-0.3 -1,-0.3 0.721 101.5 39.0 -69.4 -21.8 31.9 7.4 34.2 27 28 A D G <> + 0 0 77 -3,-1.8 4,-2.4 -4,-0.3 5,-0.4 -0.672 69.2 163.7-129.1 76.8 34.8 9.3 32.6 28 29 A K H <> S+ 0 0 36 -3,-0.5 4,-1.4 -2,-0.3 5,-0.2 0.863 74.6 48.2 -63.1 -40.8 35.5 7.5 29.3 29 30 A K H > S+ 0 0 63 3,-0.2 4,-1.8 2,-0.2 5,-0.2 0.935 117.0 41.5 -68.0 -45.7 37.6 10.3 27.7 30 31 A G H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.965 122.7 36.1 -66.7 -55.1 39.8 10.8 30.8 31 32 A N H X S+ 0 0 12 -4,-2.4 4,-1.9 -7,-0.3 -1,-0.2 0.759 114.6 58.8 -71.1 -25.4 40.4 7.2 31.7 32 33 A G H X S+ 0 0 0 -4,-1.4 4,-1.9 -5,-0.4 -1,-0.2 0.940 110.5 40.4 -68.6 -46.7 40.5 6.1 28.1 33 34 A V H X S+ 0 0 10 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.858 112.8 56.0 -69.1 -35.6 43.4 8.4 27.3 34 35 A A H X S+ 0 0 34 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.906 107.6 50.4 -62.0 -41.0 45.1 7.5 30.6 35 36 A L H X S+ 0 0 12 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.938 113.0 44.7 -61.6 -49.3 44.9 3.9 29.6 36 37 A M H X S+ 0 0 4 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.910 112.9 48.2 -64.5 -46.6 46.4 4.5 26.2 37 38 A T H X S+ 0 0 48 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.878 110.7 52.5 -64.0 -36.2 49.3 6.8 27.3 38 39 A T H X S+ 0 0 29 -4,-1.8 4,-3.0 -5,-0.3 5,-0.3 0.911 108.9 51.0 -64.7 -40.7 50.2 4.3 30.0 39 40 A L H X S+ 0 0 15 -4,-1.8 4,-2.2 1,-0.2 7,-0.2 0.931 113.6 43.4 -60.4 -47.5 50.3 1.6 27.5 40 41 A F H < S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.839 115.7 50.6 -67.5 -33.5 52.6 3.6 25.2 41 42 A A H < S+ 0 0 64 -4,-2.5 3,-0.3 -5,-0.2 -2,-0.2 0.908 119.6 32.5 -72.0 -44.8 54.7 4.7 28.2 42 43 A D H < S+ 0 0 74 -4,-3.0 2,-0.3 1,-0.2 -2,-0.2 0.730 129.3 37.0 -86.4 -23.7 55.3 1.2 29.7 43 44 A N >< + 0 0 32 -4,-2.2 3,-1.8 -5,-0.3 4,-0.4 -0.644 62.2 167.6-130.4 77.1 55.4 -0.6 26.4 44 45 A Q G > S+ 0 0 144 -3,-0.3 3,-0.8 -2,-0.3 4,-0.3 0.699 71.3 71.2 -61.3 -21.7 57.1 1.6 23.8 45 46 A E G 3 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.608 92.1 57.7 -73.8 -9.7 57.4 -1.4 21.4 46 47 A T G X S+ 0 0 8 -3,-1.8 3,-1.5 -7,-0.2 4,-0.5 0.637 81.4 85.8 -92.4 -15.9 53.6 -1.3 20.8 47 48 A I G X S+ 0 0 62 -3,-0.8 3,-1.1 -4,-0.4 -1,-0.2 0.788 77.2 68.5 -54.7 -30.5 53.6 2.3 19.6 48 49 A G G > S+ 0 0 52 -4,-0.3 3,-0.9 -3,-0.3 -1,-0.3 0.833 91.2 60.3 -60.1 -33.2 54.4 1.2 16.0 49 50 A Y G < S+ 0 0 98 -3,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.735 97.1 61.2 -66.5 -24.2 51.0 -0.4 15.6 50 51 A F G X + 0 0 48 -3,-1.1 3,-0.9 -4,-0.5 4,-0.3 -0.129 61.9 132.9 -98.5 38.6 49.3 2.9 16.2 51 52 A K G X + 0 0 175 -3,-0.9 3,-1.5 1,-0.2 -1,-0.2 0.855 66.2 59.4 -55.4 -41.3 50.8 4.7 13.2 52 53 A R G 3 S+ 0 0 98 -3,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.787 94.8 63.6 -61.3 -30.3 47.5 6.1 12.0 53 54 A L G < S- 0 0 6 -3,-0.9 12,-0.4 1,-0.2 -1,-0.3 0.586 95.5-149.7 -73.1 -9.3 46.9 8.0 15.2 54 55 A G < + 0 0 50 -3,-1.5 2,-1.2 -4,-0.3 -1,-0.2 -0.554 61.6 10.8 81.1-140.0 50.0 10.1 14.6 55 56 A D > - 0 0 76 -2,-0.2 3,-1.3 1,-0.2 4,-0.1 -0.644 61.6-179.3 -81.8 96.1 52.0 11.6 17.5 56 57 A V G > S+ 0 0 12 -2,-1.2 3,-1.8 1,-0.3 -1,-0.2 0.665 71.5 77.0 -69.5 -17.7 50.7 9.7 20.5 57 58 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.650 82.4 70.2 -68.2 -11.8 53.0 11.6 22.9 58 59 A Q G X S+ 0 0 99 -3,-1.3 3,-1.7 1,-0.2 -1,-0.3 0.618 81.2 180.0 -78.9 -13.3 50.6 14.5 22.5 59 60 A G G X + 0 0 9 -3,-1.8 3,-2.0 1,-0.3 7,-0.2 -0.238 63.8 11.3 54.8-125.0 48.0 12.6 24.5 60 61 A M G 3 S+ 0 0 87 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.754 123.6 63.8 -56.8 -29.7 44.7 14.5 25.0 61 62 A A G < S+ 0 0 80 -3,-1.7 2,-0.8 1,-0.1 -1,-0.3 0.572 83.7 89.3 -74.1 -8.6 45.7 17.2 22.5 62 63 A N <> - 0 0 13 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 -0.814 63.3-163.0 -94.0 105.8 45.7 14.5 19.7 63 64 A D H > S+ 0 0 88 -2,-0.8 4,-3.1 1,-0.2 5,-0.3 0.900 88.8 51.9 -54.0 -47.8 42.2 14.3 18.3 64 65 A K H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 112.6 45.3 -57.6 -45.2 42.8 10.9 16.6 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.903 113.7 50.0 -65.6 -40.2 44.0 9.4 19.9 66 67 A R H X S+ 0 0 24 -4,-2.7 4,-2.3 -7,-0.2 5,-0.2 0.917 111.7 47.3 -64.9 -43.6 41.2 11.0 21.8 67 68 A G H X S+ 0 0 0 -4,-3.1 4,-1.8 -5,-0.2 -1,-0.2 0.896 115.0 47.3 -63.9 -39.1 38.6 9.7 19.4 68 69 A H H X S+ 0 0 39 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.928 111.1 50.7 -66.4 -47.6 40.2 6.3 19.5 69 70 A S H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.891 110.2 48.5 -58.9 -45.8 40.4 6.2 23.3 70 71 A I H X S+ 0 0 1 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.938 111.2 50.8 -61.4 -46.3 36.8 7.1 23.8 71 72 A T H >X S+ 0 0 20 -4,-1.8 4,-0.9 1,-0.2 3,-0.6 0.884 105.7 56.2 -59.1 -40.8 35.7 4.4 21.3 72 73 A L H >X S+ 0 0 42 -4,-2.2 4,-1.7 1,-0.3 3,-1.0 0.900 102.7 55.2 -58.6 -42.1 37.8 1.8 23.1 73 74 A M H 3X S+ 0 0 3 -4,-1.6 4,-1.5 1,-0.3 -1,-0.3 0.781 104.0 55.5 -63.6 -25.1 35.9 2.6 26.4 74 75 A Y H < S+ 0 0 14 -4,-2.2 3,-1.0 1,-0.2 4,-0.5 0.925 110.3 51.2 -55.2 -49.8 31.5 -6.3 27.1 80 81 A I H >< S+ 0 0 6 -4,-2.4 3,-1.5 1,-0.3 4,-0.3 0.927 109.1 51.1 -54.8 -48.0 30.1 -5.3 30.5 81 82 A D H 3< S+ 0 0 65 -4,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.674 108.7 52.6 -65.3 -18.6 26.6 -5.1 29.2 82 83 A Q T X< S+ 0 0 21 -4,-1.0 3,-1.2 -3,-1.0 7,-0.5 0.410 77.3 100.6 -98.0 1.8 26.9 -8.6 27.6 83 84 A L T < S+ 0 0 6 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.1 0.816 76.0 59.1 -55.8 -34.7 28.0 -10.3 30.8 84 85 A D T 3 S+ 0 0 125 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.800 109.5 45.7 -65.9 -29.0 24.5 -11.7 31.5 85 86 A N X> - 0 0 55 -3,-1.2 4,-2.3 1,-0.1 3,-0.7 -0.880 63.0-170.9-123.0 101.5 24.5 -13.6 28.2 86 87 A P H 3> S+ 0 0 68 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.743 88.0 59.4 -59.5 -26.6 27.7 -15.5 27.3 87 88 A D H 3> S+ 0 0 93 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.886 111.8 39.4 -71.1 -36.7 26.4 -16.2 23.7 88 89 A D H <> S+ 0 0 9 -3,-0.7 4,-1.6 -6,-0.2 5,-0.2 0.820 113.0 55.4 -80.2 -33.0 26.2 -12.4 23.1 89 90 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 -7,-0.5 -2,-0.2 0.942 108.7 49.8 -63.4 -45.0 29.4 -11.7 25.0 90 91 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.900 108.8 50.0 -61.0 -44.5 31.2 -14.2 22.7 91 92 A C H X S+ 0 0 5 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.827 113.9 45.1 -68.2 -30.0 29.9 -12.8 19.4 92 93 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.886 111.9 52.4 -78.8 -38.1 30.9 -9.2 20.3 93 94 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.937 109.8 49.0 -60.1 -46.1 34.4 -10.3 21.6 94 95 A E H X S+ 0 0 66 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.829 107.1 57.0 -63.6 -31.3 35.0 -12.2 18.3 95 96 A K H X S+ 0 0 30 -4,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.956 112.2 39.5 -64.8 -50.0 34.0 -9.0 16.4 96 97 A F H X S+ 0 0 34 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.797 109.5 61.8 -69.8 -28.1 36.6 -6.9 18.2 97 98 A A H >X S+ 0 0 1 -4,-2.2 4,-2.9 -5,-0.2 3,-0.6 0.900 100.1 54.5 -63.6 -39.4 39.1 -9.7 18.0 98 99 A V H 3X S+ 0 0 44 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.874 101.0 59.6 -61.0 -37.6 38.9 -9.5 14.2 99 100 A N H 3< S+ 0 0 37 -4,-1.0 -1,-0.2 1,-0.2 4,-0.2 0.818 114.4 36.0 -60.7 -31.1 39.7 -5.8 14.4 100 101 A H H <<>S+ 0 0 69 -4,-1.0 5,-2.3 -3,-0.6 3,-0.4 0.797 109.4 60.7 -92.6 -33.3 43.0 -6.7 16.1 101 102 A I H ><5S+ 0 0 77 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.918 104.2 52.5 -59.0 -41.7 43.8 -10.0 14.2 102 103 A T T 3<5S+ 0 0 94 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.768 106.3 53.9 -64.7 -25.8 43.8 -7.9 11.0 103 104 A R T 3 5S- 0 0 132 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.2 0.299 119.3-114.1 -90.1 8.4 46.3 -5.6 12.7 104 105 A K T < 5 + 0 0 173 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.824 60.3 158.2 64.3 34.0 48.5 -8.6 13.5 105 106 A I < - 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