==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT/PROTEIN BINDING 24-MAY-12 4FC3 . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.KRISHNA KUMAR,D.A.JACQUES,J.M.GUSS,D.A.GELL . 427 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.2 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 . 26 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 2 0 0 1 1 0 1 1 0 0 2 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 2 1 0 2 3 1 0 0 1 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 1 1 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 1 A V 0 0 154 0, 0.0 2,-0.3 0, 0.0 127,-0.1 0.000 360.0 360.0 360.0 118.3 5.1 -36.2 -24.5 2 2 A L - 0 0 17 71,-0.1 122,-0.0 125,-0.1 3,-0.0 -0.582 360.0-138.2 -83.6 138.0 8.6 -37.4 -23.5 3 3 A S > - 0 0 40 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.382 33.4-104.4 -74.6 166.1 10.9 -39.3 -25.8 4 4 A P H > S+ 0 0 51 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.898 128.1 52.8 -55.9 -39.9 12.9 -42.3 -24.6 5 5 A A H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.895 107.1 51.0 -60.0 -44.6 15.8 -39.9 -24.6 6 6 A D H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 110.5 48.5 -59.4 -46.8 13.9 -37.4 -22.5 7 7 A K H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.913 113.2 47.8 -59.6 -44.7 12.9 -40.1 -19.9 8 8 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.892 110.0 52.0 -64.2 -44.3 16.6 -41.3 -19.8 9 9 A N H X S+ 0 0 13 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.922 113.3 44.6 -56.0 -48.2 17.9 -37.7 -19.3 10 10 A V H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.928 115.2 46.5 -65.1 -48.5 15.5 -37.1 -16.4 11 11 A K H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.927 115.2 46.1 -61.3 -47.7 16.1 -40.4 -14.7 12 12 A A H X S+ 0 0 4 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.897 116.1 45.7 -62.5 -43.1 19.9 -40.2 -15.0 13 13 A A H >< S+ 0 0 11 -4,-2.2 3,-0.6 -5,-0.3 4,-0.5 0.892 111.9 50.8 -67.6 -41.8 20.0 -36.5 -13.8 14 14 A W H >X S+ 0 0 14 -4,-2.7 4,-1.7 1,-0.2 3,-0.8 0.816 103.0 60.6 -68.2 -31.2 17.6 -37.2 -10.9 15 15 A G H 3< S+ 0 0 33 -4,-1.9 -1,-0.2 1,-0.2 315,-0.2 0.797 101.5 53.9 -62.5 -29.9 19.8 -40.1 -9.8 16 16 A K T << S+ 0 0 86 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.606 102.6 58.0 -81.7 -13.5 22.6 -37.6 -9.4 17 17 A V T X4 S+ 0 0 5 -3,-0.8 3,-1.6 -4,-0.5 -2,-0.2 0.946 79.7 141.3 -74.0 -57.2 20.4 -35.4 -7.1 18 18 A G G >< + 0 0 36 -4,-1.7 3,-1.4 1,-0.3 4,-0.2 -0.268 68.6 7.6 63.3-124.7 19.9 -38.3 -4.7 19 19 A A G 3 S+ 0 0 85 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.631 124.0 65.0 -71.1 -15.1 19.8 -37.5 -1.0 20 20 A H G <> S+ 0 0 116 -3,-1.6 4,-1.9 1,-0.2 -1,-0.3 0.263 70.6 101.1 -89.9 11.3 19.9 -33.8 -1.6 21 21 A A H <> S+ 0 0 7 -3,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.900 80.7 50.7 -61.8 -43.0 16.4 -33.9 -3.3 22 22 A G H > S+ 0 0 11 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.787 108.1 53.7 -64.2 -30.4 14.7 -32.6 -0.2 23 23 A E H > S+ 0 0 67 2,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.898 111.5 43.9 -70.7 -42.8 17.2 -29.7 -0.0 24 24 A Y H X S+ 0 0 18 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.887 111.1 54.6 -69.9 -40.5 16.5 -28.6 -3.6 25 25 A G H X S+ 0 0 4 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.914 110.8 46.4 -56.6 -45.4 12.7 -29.0 -3.1 26 26 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.911 113.9 47.8 -62.5 -45.6 12.9 -26.7 -0.1 27 27 A E H X S+ 0 0 20 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.867 107.7 55.2 -66.0 -39.2 15.1 -24.2 -2.0 28 28 A A H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.891 109.5 47.6 -60.7 -40.7 12.8 -24.2 -5.1 29 29 A L H X S+ 0 0 2 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.923 109.3 52.8 -65.3 -46.8 9.8 -23.3 -2.9 30 30 A E H X S+ 0 0 47 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.910 111.5 47.3 -53.4 -46.7 11.7 -20.5 -1.1 31 31 A R H X S+ 0 0 3 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.901 111.0 51.5 -61.6 -44.0 12.6 -19.1 -4.6 32 32 A M H X S+ 0 0 10 -4,-2.1 4,-3.0 1,-0.2 7,-0.3 0.928 110.1 47.7 -60.8 -48.5 8.9 -19.4 -5.7 33 33 A F H < S+ 0 0 16 -4,-2.7 7,-0.2 2,-0.2 -1,-0.2 0.865 118.4 41.3 -63.0 -38.3 7.5 -17.5 -2.7 34 34 A L H < S+ 0 0 54 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.936 122.2 38.6 -73.5 -50.3 10.1 -14.7 -3.0 35 35 A S H < S+ 0 0 13 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.870 130.2 28.3 -68.3 -39.9 10.0 -14.4 -6.8 36 36 A F >< + 0 0 28 -4,-3.0 3,-2.4 -5,-0.3 4,-0.3 -0.676 67.7 179.9-128.4 75.2 6.2 -14.9 -7.2 37 37 A P G > S+ 0 0 72 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.641 73.9 73.4 -58.5 -19.3 4.5 -13.7 -4.0 38 38 A T G > S+ 0 0 97 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.744 86.5 66.7 -64.6 -22.6 1.0 -14.6 -5.3 39 39 A T G X S+ 0 0 2 -3,-2.4 3,-1.2 -7,-0.3 -1,-0.3 0.696 84.7 72.6 -68.9 -20.0 1.9 -18.2 -4.7 40 40 A K G X S+ 0 0 88 -3,-1.4 3,-1.8 -4,-0.3 -1,-0.2 0.762 79.5 73.7 -65.5 -25.9 2.0 -17.5 -1.0 41 41 A T G < S+ 0 0 106 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.691 89.7 59.7 -62.4 -20.0 -1.8 -17.3 -0.9 42 42 A Y G < S+ 0 0 69 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.634 108.1 45.6 -80.1 -15.7 -1.9 -21.1 -1.3 43 43 A F X + 0 0 34 -3,-1.8 3,-0.6 -4,-0.2 -1,-0.2 -0.438 61.9 136.3-125.3 58.6 0.1 -21.5 2.0 44 44 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.756 75.3 59.5 -74.2 -24.3 -1.6 -19.1 4.5 45 45 A H T 3 S+ 0 0 125 -3,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.632 96.0 82.7 -73.5 -17.9 -1.4 -21.9 7.1 46 46 A F S < S- 0 0 29 -3,-0.6 2,-0.8 -6,-0.2 -3,-0.1 -0.582 85.0-123.9 -84.3 148.8 2.4 -21.8 6.7 47 47 A D - 0 0 94 -2,-0.2 8,-0.3 1,-0.1 7,-0.2 -0.888 28.7-163.4 -82.6 111.6 4.8 -19.5 8.3 48 48 A L + 0 0 51 -2,-0.8 -1,-0.1 -4,-0.1 3,-0.1 0.112 42.3 126.8 -94.7 21.8 6.4 -18.2 5.1 49 49 A S S > S- 0 0 65 1,-0.1 3,-1.0 2,-0.1 6,-0.2 -0.325 74.5 -85.0 -67.1 160.3 9.5 -16.7 6.7 50 50 A H T 3 S+ 0 0 129 1,-0.3 -1,-0.1 5,-0.0 -2,-0.0 -0.470 116.5 23.6 -73.1 140.9 12.9 -17.8 5.3 51 51 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.777 87.0 175.3 71.2 28.8 14.2 -21.0 6.8 52 52 A S <> - 0 0 9 -3,-1.0 4,-2.5 1,-0.1 -1,-0.2 -0.479 34.1-140.9 -68.9 132.7 10.7 -22.0 7.8 53 53 A A H > S+ 0 0 88 1,-0.2 4,-2.0 -2,-0.2 -1,-0.1 0.833 104.6 50.6 -61.9 -33.9 10.4 -25.5 9.3 54 54 A Q H > S+ 0 0 80 -7,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.882 110.3 48.3 -71.0 -40.6 7.2 -26.1 7.3 55 55 A V H > S+ 0 0 6 -8,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.892 113.5 47.0 -67.6 -41.5 8.7 -25.0 4.0 56 56 A K H X S+ 0 0 97 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.916 116.0 45.9 -62.9 -45.1 11.8 -27.2 4.6 57 57 A G H X S+ 0 0 37 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.894 113.1 49.0 -64.2 -42.6 9.4 -30.1 5.5 58 58 A H H X S+ 0 0 51 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.867 104.4 59.9 -66.1 -38.8 7.1 -29.4 2.6 59 59 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.849 103.4 51.9 -55.6 -37.9 10.1 -29.3 0.2 60 60 A K H X S+ 0 0 107 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.876 109.9 47.9 -68.3 -39.4 11.0 -32.9 1.2 61 61 A K H X S+ 0 0 155 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.878 113.2 48.5 -66.6 -39.5 7.4 -34.0 0.4 62 62 A V H X S+ 0 0 31 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.895 113.0 47.8 -66.5 -41.2 7.5 -32.2 -2.9 63 63 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.910 110.6 50.9 -65.0 -45.0 10.9 -33.8 -3.7 64 64 A D H X S+ 0 0 85 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.827 110.7 49.8 -61.9 -34.1 9.7 -37.3 -2.7 65 65 A A H X S+ 0 0 26 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.863 110.8 48.5 -71.9 -38.3 6.6 -36.8 -5.0 66 66 A L H X S+ 0 0 18 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.899 110.6 51.9 -66.8 -41.4 8.8 -35.7 -7.9 67 67 A T H X S+ 0 0 12 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.914 110.5 48.1 -56.8 -47.1 11.1 -38.7 -7.3 68 68 A N H X S+ 0 0 55 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.911 111.7 50.5 -59.3 -43.4 8.0 -41.0 -7.4 69 69 A A H < S+ 0 0 0 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.867 110.0 49.0 -63.8 -40.7 6.9 -39.3 -10.6 70 70 A V H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.885 109.0 53.3 -66.4 -39.4 10.3 -39.8 -12.2 71 71 A A H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.692 120.8 32.7 -67.9 -20.3 10.3 -43.5 -11.2 72 72 A H T >< S+ 0 0 62 -4,-0.9 3,-1.2 -3,-0.3 -1,-0.3 -0.214 75.8 135.5-128.8 41.9 6.9 -43.9 -12.9 73 73 A V G X + 0 0 14 -3,-1.1 3,-0.6 1,-0.3 -71,-0.1 0.757 66.8 63.5 -63.8 -27.8 7.2 -41.4 -15.7 74 74 A D G 3 S+ 0 0 46 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.752 122.4 17.2 -69.0 -26.0 5.7 -43.9 -18.2 75 75 A D G <> S+ 0 0 79 -3,-1.2 4,-1.3 -6,-0.2 -1,-0.3 -0.483 71.6 155.0-147.7 69.9 2.4 -43.8 -16.3 76 76 A M H <> + 0 0 13 -3,-0.6 4,-3.1 1,-0.2 -3,-0.1 0.810 66.2 67.7 -70.2 -33.8 2.2 -40.8 -14.0 77 77 A P H 4 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 7,-0.2 0.927 107.5 39.5 -53.5 -47.4 -1.6 -40.5 -13.9 78 78 A N H >4 S+ 0 0 121 -3,-0.2 3,-0.8 1,-0.2 4,-0.2 0.875 118.9 48.1 -67.8 -38.6 -1.9 -43.8 -11.9 79 79 A A H 3< S+ 0 0 32 -4,-1.3 3,-0.2 -7,-0.2 -1,-0.2 0.853 118.1 38.5 -70.8 -37.0 1.2 -43.0 -9.8 80 80 A L T 3X S+ 0 0 6 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 -0.027 79.0 123.4-105.3 29.3 0.2 -39.5 -8.9 81 81 A S H <> S+ 0 0 67 -3,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.908 76.4 42.8 -60.0 -49.9 -3.5 -40.2 -8.4 82 82 A A H > S+ 0 0 79 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.825 113.3 54.2 -66.3 -31.8 -3.9 -38.9 -4.8 83 83 A L H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.842 106.9 50.3 -72.7 -35.0 -1.7 -35.9 -5.7 84 84 A S H X>S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 5,-1.0 0.882 108.2 54.3 -65.7 -40.5 -4.0 -35.0 -8.5 85 85 A D H X>S+ 0 0 68 -4,-1.9 5,-2.2 3,-0.2 4,-0.8 0.935 112.2 44.2 -56.1 -48.5 -6.9 -35.3 -6.1 86 86 A L H <>S+ 0 0 72 -4,-2.0 5,-3.6 3,-0.2 6,-0.3 0.957 123.9 31.9 -62.3 -53.9 -5.2 -32.8 -3.7 87 87 A H H <5S+ 0 0 38 -4,-2.5 6,-2.4 3,-0.2 5,-0.4 0.871 130.5 30.1 -78.2 -39.0 -4.1 -30.2 -6.3 88 88 A A H <5S+ 0 0 10 -4,-2.8 -3,-0.2 -5,-0.2 51,-0.1 0.885 130.3 28.8 -90.4 -45.0 -6.9 -30.5 -9.0 89 89 A H T <> - 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