==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 14-MAY-12 4F69 . COMPND 2 MOLECULE: NEURAL HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CEREBRATULUS LACTEUS; . AUTHOR J.SOMAN,M.D.SALTER,J.S.OLSON . 110 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 76.4 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 . 3 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.7 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 0 0 0 0 1 1 0 0 0 0 0 1 0 1 0 1 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 0 A M 0 0 236 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.6 28.4 54.0 16.1 2 1 A V - 0 0 44 1,-0.0 2,-1.5 4,-0.0 3,-0.2 -0.781 360.0-125.9 -79.9 139.9 30.7 51.1 15.4 3 2 A N > + 0 0 101 -2,-0.4 4,-1.9 91,-0.2 3,-0.4 -0.664 38.1 172.1 -85.3 82.6 30.4 50.3 11.7 4 3 A W H > S+ 0 0 21 -2,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.802 73.3 61.7 -66.0 -29.3 29.6 46.6 12.2 5 4 A A H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 107.3 44.8 -59.8 -42.8 28.9 46.1 8.5 6 5 A A H > S+ 0 0 22 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.878 111.7 52.1 -69.5 -39.3 32.5 47.1 7.8 7 6 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.950 110.7 48.8 -59.5 -47.1 33.8 44.9 10.6 8 7 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.887 107.9 53.7 -63.1 -39.3 31.9 41.9 9.2 9 8 A D H X S+ 0 0 36 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.923 112.0 44.8 -60.4 -42.4 33.2 42.6 5.7 10 9 A D H X S+ 0 0 63 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.861 107.8 59.4 -72.1 -32.8 36.8 42.5 7.0 11 10 A F H X S+ 0 0 21 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.945 108.0 44.7 -55.4 -50.0 35.9 39.4 9.0 12 11 A F H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.842 110.3 54.4 -68.2 -33.5 35.0 37.5 5.9 13 12 A Q H X S+ 0 0 59 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.945 114.3 41.8 -61.8 -46.7 38.1 38.8 4.0 14 13 A E H X S+ 0 0 47 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.920 115.8 50.0 -63.1 -46.5 40.2 37.4 6.8 15 14 A L H X S+ 0 0 12 -4,-3.0 4,-2.3 1,-0.2 7,-0.2 0.929 115.9 39.0 -61.0 -50.1 38.2 34.2 7.1 16 15 A F H < S+ 0 0 2 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.697 111.5 58.7 -81.0 -19.7 38.2 33.2 3.5 17 16 A K H < S+ 0 0 151 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.938 116.1 34.8 -66.3 -47.2 41.8 34.4 2.9 18 17 A A H < S+ 0 0 63 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.826 136.9 22.5 -77.2 -34.0 43.0 31.9 5.6 19 18 A H >< + 0 0 50 -4,-2.3 3,-1.8 -5,-0.2 4,-0.5 -0.606 64.4 169.8-136.3 76.3 40.5 29.3 4.8 20 19 A P G > S+ 0 0 75 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.791 75.1 68.0 -58.6 -30.0 39.2 29.6 1.2 21 20 A E G > S+ 0 0 98 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.726 85.5 69.2 -66.3 -21.7 37.5 26.3 1.4 22 21 A Y G X S+ 0 0 40 -3,-1.8 3,-1.7 1,-0.2 -1,-0.3 0.837 88.4 65.9 -64.1 -30.2 35.0 27.6 4.0 23 22 A Q G X S+ 0 0 15 -3,-1.3 3,-1.8 -4,-0.5 -1,-0.2 0.763 84.2 74.3 -62.8 -23.2 33.5 29.7 1.2 24 23 A N G < S+ 0 0 90 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.688 87.0 62.2 -66.0 -16.4 32.3 26.5 -0.5 25 24 A K G < S+ 0 0 99 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.2 0.474 96.1 77.7 -85.5 -3.1 29.6 26.2 2.1 26 25 A F S X S- 0 0 66 -3,-1.8 3,-1.5 -4,-0.1 16,-0.1 -0.623 89.3-112.7-110.6 166.2 27.9 29.4 1.1 27 26 A G T 3 S+ 0 0 74 1,-0.3 14,-0.2 -2,-0.2 15,-0.1 0.621 116.8 59.5 -71.3 -12.3 25.6 30.6 -1.7 28 27 A F T > S+ 0 0 2 -5,-0.2 3,-1.8 13,-0.1 -1,-0.3 0.009 75.1 152.5-104.9 25.8 28.6 32.8 -2.9 29 28 A K T < + 0 0 137 -3,-1.5 -5,-0.1 1,-0.2 3,-0.1 -0.270 67.1 17.4 -48.9 134.7 30.9 29.8 -3.4 30 29 A G T 3 S+ 0 0 71 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.347 89.0 135.4 83.4 -6.6 33.5 30.5 -6.1 31 30 A V < - 0 0 35 -3,-1.8 -1,-0.3 -8,-0.1 5,-0.1 -0.598 65.0-104.7 -78.0 131.8 33.1 34.3 -6.0 32 31 A A > - 0 0 67 -2,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.288 25.2-128.5 -53.6 131.9 36.3 36.3 -6.0 33 32 A L G > S+ 0 0 42 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.865 107.0 58.7 -52.2 -40.3 37.0 37.8 -2.6 34 33 A G G 3 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.626 109.8 43.9 -67.0 -12.0 37.5 41.2 -4.0 35 34 A S G X S+ 0 0 59 -3,-2.2 3,-1.9 1,-0.1 -1,-0.2 0.362 78.2 106.2-114.3 3.6 34.0 41.2 -5.4 36 35 A L G X S+ 0 0 0 -3,-1.2 3,-2.2 -4,-0.5 7,-0.2 0.836 71.6 64.5 -53.9 -38.5 32.0 39.7 -2.5 37 36 A K G 3 S+ 0 0 140 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.714 101.3 51.8 -63.2 -19.1 30.4 43.0 -1.6 38 37 A G G < S+ 0 0 63 -3,-1.9 2,-0.5 4,-0.0 -1,-0.3 0.372 88.9 101.3 -95.1 3.7 28.6 43.0 -5.0 39 38 A N <> - 0 0 38 -3,-2.2 4,-2.4 -4,-0.2 5,-0.1 -0.776 64.2-148.1 -97.5 128.9 27.2 39.5 -4.5 40 39 A A H > S+ 0 0 71 -2,-0.5 4,-1.9 1,-0.2 5,-0.2 0.877 97.5 51.2 -65.1 -41.2 23.5 39.2 -3.5 41 40 A A H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 112.5 48.2 -61.1 -43.3 23.9 36.0 -1.5 42 41 A Y H > S+ 0 0 4 2,-0.2 4,-3.3 -6,-0.2 5,-0.3 0.910 106.8 55.5 -62.0 -45.5 26.8 37.6 0.4 43 42 A K H X S+ 0 0 124 -4,-2.4 4,-1.8 -7,-0.2 -1,-0.2 0.918 111.2 44.4 -56.8 -43.6 24.9 40.8 1.2 44 43 A T H X S+ 0 0 87 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.938 116.2 46.5 -66.0 -46.8 22.1 38.8 2.8 45 44 A L H >X S+ 0 0 42 -4,-2.2 4,-1.6 1,-0.2 3,-0.6 0.943 111.7 49.7 -62.5 -49.8 24.4 36.6 4.8 46 45 A A H 3X S+ 0 0 8 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.887 107.2 57.2 -55.8 -40.3 26.7 39.4 6.0 47 46 A G H 3X S+ 0 0 31 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.853 105.4 50.1 -58.3 -36.2 23.5 41.3 7.1 48 47 A K H S+ 0 0 22 -4,-2.2 5,-2.5 -5,-0.2 6,-1.1 0.885 108.8 49.5 -70.5 -38.3 21.8 40.8 19.1 56 55 A W H ><5S+ 0 0 80 -4,-2.5 3,-0.7 4,-0.2 -2,-0.2 0.948 113.6 45.7 -62.5 -47.5 24.7 39.9 21.3 57 56 A I H 3<5S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.888 114.2 49.1 -62.1 -40.1 25.3 43.5 22.2 58 57 A G H 3<5S- 0 0 66 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.563 117.3-112.0 -79.9 -10.1 21.6 44.0 22.8 59 58 A G T <<5S+ 0 0 70 -4,-0.9 -3,-0.2 -3,-0.7 -4,-0.1 0.560 92.4 97.7 96.0 11.7 21.3 40.9 25.0 60 59 A S < + 0 0 89 -5,-2.5 -4,-0.2 -6,-0.2 -5,-0.1 0.327 43.1 133.8-115.0 6.1 19.2 38.7 22.8 61 60 A A - 0 0 33 -6,-1.1 2,-0.7 -8,-0.1 3,-0.1 -0.307 44.9-150.2 -61.5 139.6 21.7 36.5 21.1 62 61 A D > + 0 0 90 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.820 22.4 171.0-111.2 87.5 20.9 32.8 21.0 63 62 A A H > S+ 0 0 14 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.861 77.1 54.7 -68.5 -37.8 24.3 31.2 21.0 64 63 A A H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 111.1 45.2 -60.5 -42.7 22.9 27.7 21.5 65 64 A G H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.903 113.3 49.4 -67.9 -41.8 20.6 28.1 18.5 66 65 A L H X S+ 0 0 26 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.909 112.0 49.0 -64.5 -41.5 23.4 29.5 16.4 67 66 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.941 110.6 50.3 -61.9 -48.5 25.7 26.7 17.4 68 67 A S H X S+ 0 0 79 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.916 110.2 49.9 -56.3 -45.5 23.1 24.1 16.6 69 68 A R H < S+ 0 0 144 -4,-2.4 -1,-0.2 2,-0.2 4,-0.2 0.875 111.7 48.5 -63.5 -36.3 22.4 25.6 13.2 70 69 A H H ><>S+ 0 0 59 -4,-1.9 5,-2.3 1,-0.2 3,-1.8 0.909 107.6 53.3 -72.4 -40.6 26.2 25.6 12.4 71 70 A K H ><5S+ 0 0 110 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.868 102.3 62.4 -55.2 -36.0 26.6 21.9 13.5 72 71 A G T 3<5S+ 0 0 61 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.626 104.4 46.2 -65.0 -14.5 23.8 21.3 11.1 73 72 A R T < 5S- 0 0 173 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.113 123.3-105.4-108.3 16.1 26.1 22.6 8.3 74 73 A N T < 5S+ 0 0 135 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.838 76.8 139.4 60.2 35.6 29.0 20.4 9.6 75 74 A V < + 0 0 25 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.2 -0.959 26.5 161.8-110.6 123.7 30.7 23.5 11.0 76 75 A G > - 0 0 21 -2,-0.5 4,-2.0 -3,-0.1 5,-0.2 -0.308 49.1 -55.1-129.0-155.5 32.3 22.9 14.4 77 76 A S H > S+ 0 0 44 33,-0.4 4,-2.5 1,-0.2 5,-0.2 0.868 122.3 54.0 -61.8 -42.8 34.7 24.0 17.1 78 77 A A H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 110.6 47.5 -59.9 -45.7 37.9 24.2 14.9 79 78 A E H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 112.2 49.4 -63.1 -41.4 36.2 26.5 12.4 80 79 A F H X S+ 0 0 20 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.835 107.4 54.4 -71.9 -29.2 34.8 28.7 15.2 81 80 A H H X S+ 0 0 104 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.916 111.0 46.2 -65.6 -40.3 38.3 29.0 16.8 82 81 A N H X S+ 0 0 55 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.919 111.7 51.5 -64.6 -42.9 39.6 30.1 13.4 83 82 A A H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.863 103.4 59.8 -58.9 -37.8 36.6 32.6 13.1 84 83 A K H X S+ 0 0 64 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.933 107.2 45.4 -57.4 -46.5 37.4 34.0 16.5 85 84 A A H X S+ 0 0 63 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.906 113.6 48.6 -64.9 -42.5 40.9 35.0 15.4 86 85 A C H X S+ 0 0 9 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.869 111.5 50.1 -65.9 -37.3 39.7 36.5 12.1 87 86 A L H X S+ 0 0 14 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.843 106.8 54.8 -71.9 -33.6 37.0 38.5 13.9 88 87 A A H X S+ 0 0 30 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.907 109.8 47.5 -65.0 -40.7 39.5 39.8 16.5 89 88 A K H X S+ 0 0 118 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.923 112.9 48.5 -61.1 -45.9 41.6 41.1 13.6 90 89 A A H X S+ 0 0 1 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.875 112.6 47.7 -65.5 -40.7 38.5 42.7 11.9 91 90 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-1.3 0.947 112.0 49.7 -63.0 -49.5 37.4 44.3 15.2 92 91 A S H ><5S+ 0 0 89 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.878 104.5 58.7 -56.5 -41.6 40.9 45.7 15.8 93 92 A A H 3<5S+ 0 0 75 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.689 113.4 39.0 -63.5 -19.4 41.1 47.1 12.3 94 93 A H T <<5S- 0 0 75 -3,-1.3 -1,-0.3 -4,-0.6 -91,-0.2 0.276 111.8-111.8-115.6 9.1 38.0 49.2 13.0 95 94 A G T < 5 + 0 0 70 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.846 69.5 149.6 62.3 33.2 38.6 50.3 16.6 96 95 A A < - 0 0 12 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.670 54.8 -94.3 -98.4 151.5 35.7 48.1 17.5 97 96 A P - 0 0 79 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.307 49.4 -99.3 -61.1 148.0 35.2 46.2 20.8 98 97 A D - 0 0 88 1,-0.1 3,-0.2 -7,-0.1 -10,-0.1 -0.454 25.5-158.7 -68.8 142.1 36.5 42.6 20.8 99 98 A L >> + 0 0 5 -15,-0.2 4,-1.7 1,-0.2 3,-0.9 0.181 54.1 120.4-109.5 16.1 33.7 40.0 20.3 100 99 A G H 3> S+ 0 0 7 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.817 72.1 55.3 -49.8 -39.5 35.7 37.1 21.8 101 100 A H H 3> S+ 0 0 132 -3,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.854 105.0 52.7 -66.2 -36.4 33.1 36.5 24.5 102 101 A A H <> S+ 0 0 5 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.907 112.4 45.2 -63.4 -42.0 30.3 36.1 22.0 103 102 A I H X S+ 0 0 17 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.879 108.6 56.7 -71.2 -36.3 32.3 33.5 20.1 104 103 A D H X S+ 0 0 62 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.885 104.2 54.3 -61.3 -36.1 33.2 31.8 23.4 105 104 A D H < S+ 0 0 81 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.899 111.0 44.0 -64.5 -40.7 29.4 31.4 24.1 106 105 A I H >< S+ 0 0 2 -4,-1.4 3,-1.6 1,-0.2 4,-0.2 0.929 111.0 55.6 -66.3 -45.2 28.9 29.7 20.7 107 106 A L H >< S+ 0 0 20 -4,-2.9 3,-1.4 1,-0.3 -2,-0.2 0.792 96.7 64.8 -57.0 -30.0 32.0 27.6 21.3 108 107 A S T 3< S+ 0 0 85 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.729 103.6 47.5 -69.9 -19.4 30.5 26.4 24.6 109 108 A H T < 0 0 83 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.346 360.0 360.0-100.3 4.5 27.7 24.7 22.7 110 109 A L < 0 0 63 -3,-1.4 -33,-0.4 -4,-0.2 -2,-0.2 0.502 360.0 360.0-107.3 360.0 30.0 23.1 20.1