==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING 30-DEC-12 3ZHW . COMPND 2 MOLECULE: NON-SYMBIOTIC HEMOGLOBIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.MUKHI,S.DHINDWAL,S.UPPAL,P.KUMAR,J.KAUR,S.KUNDU . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 76.9 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 . 5 1.6 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 . 2 0.7 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 0 0 2 2 2 0 0 2 0 0 0 2 1 1 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 A K 0 0 205 0, 0.0 2,-0.2 0, 0.0 83,-0.2 0.000 360.0 360.0 360.0 125.6 -44.9 -29.4 13.0 2 7 A I - 0 0 52 81,-2.4 2,-0.4 77,-0.1 0, 0.0 -0.737 360.0-102.3-113.8 165.3 -42.8 -29.3 9.8 3 8 A V + 0 0 124 -2,-0.2 2,-0.3 80,-0.0 77,-0.1 -0.717 44.2 163.9 -76.5 129.3 -41.3 -31.8 7.3 4 9 A F - 0 0 10 -2,-0.4 79,-0.1 76,-0.2 2,-0.0 -0.791 22.9-151.2-152.5 103.8 -37.6 -32.2 7.9 5 10 A T > - 0 0 54 -2,-0.3 4,-2.2 1,-0.1 3,-0.3 -0.294 26.4-114.1 -80.0 162.3 -36.0 -35.2 6.3 6 11 A E H > S+ 0 0 118 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.789 118.7 62.4 -68.6 -25.4 -33.0 -37.1 7.6 7 12 A E H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 106.5 45.9 -54.8 -46.0 -31.1 -35.9 4.5 8 13 A Q H > S+ 0 0 41 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.916 111.8 49.2 -67.6 -45.5 -31.7 -32.4 5.9 9 14 A E H X S+ 0 0 31 -4,-2.2 4,-3.2 1,-0.2 3,-0.2 0.935 110.3 53.8 -54.0 -46.4 -30.6 -33.4 9.4 10 15 A A H X S+ 0 0 29 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.825 102.9 55.3 -61.7 -37.4 -27.5 -35.0 7.9 11 16 A L H X S+ 0 0 45 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.908 115.3 39.3 -60.9 -43.7 -26.5 -31.8 6.0 12 17 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.2 -2,-0.2 0.937 119.6 45.1 -69.6 -50.9 -26.5 -29.9 9.3 13 18 A V H X S+ 0 0 46 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.911 116.3 44.9 -64.2 -44.2 -25.0 -32.7 11.4 14 19 A K H X S+ 0 0 123 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.904 113.8 47.9 -71.2 -42.9 -22.2 -33.5 8.9 15 20 A S H X S+ 0 0 0 -4,-1.6 4,-3.0 -5,-0.3 5,-0.2 0.893 112.0 51.7 -63.0 -39.1 -21.2 -30.0 8.2 16 21 A W H X S+ 0 0 15 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.916 104.8 54.9 -64.8 -39.6 -21.1 -29.2 11.9 17 22 A S H < S+ 0 0 50 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.870 112.8 44.3 -62.8 -36.1 -18.9 -32.2 12.6 18 23 A V H >< S+ 0 0 70 -4,-1.6 3,-1.2 2,-0.2 4,-0.4 0.951 116.7 44.5 -66.1 -53.7 -16.5 -30.8 10.0 19 24 A M H >< S+ 0 0 6 -4,-3.0 3,-1.6 1,-0.2 7,-0.2 0.817 98.5 73.5 -63.8 -30.9 -16.7 -27.2 11.3 20 25 A K G >< S+ 0 0 96 -4,-3.1 3,-1.4 1,-0.3 -1,-0.2 0.773 84.6 67.9 -51.4 -32.7 -16.4 -28.3 14.9 21 26 A K G < S+ 0 0 159 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.802 112.8 28.9 -62.1 -33.6 -12.7 -29.0 14.4 22 27 A N G <> S+ 0 0 103 -3,-1.6 4,-2.1 -4,-0.4 -1,-0.3 -0.306 80.3 135.4-119.9 47.5 -12.0 -25.3 14.0 23 28 A S H <> + 0 0 29 -3,-1.4 4,-2.3 2,-0.2 5,-0.2 0.733 65.2 59.9 -74.3 -24.5 -14.8 -24.0 16.2 24 29 A A H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.977 112.4 38.8 -62.2 -56.6 -12.6 -21.4 18.0 25 30 A E H > S+ 0 0 120 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.903 116.0 54.7 -55.3 -44.3 -11.8 -19.6 14.7 26 31 A L H X S+ 0 0 17 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.852 106.4 48.7 -64.9 -42.1 -15.4 -20.2 13.5 27 32 A G H X S+ 0 0 2 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.877 111.9 50.0 -64.9 -40.0 -17.1 -18.5 16.5 28 33 A L H X S+ 0 0 58 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.963 109.4 51.1 -61.3 -52.0 -14.8 -15.6 16.2 29 34 A K H X S+ 0 0 93 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.883 107.6 55.0 -51.5 -43.5 -15.6 -15.2 12.4 30 35 A L H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.920 112.8 39.8 -57.6 -50.0 -19.3 -15.3 13.3 31 36 A F H X S+ 0 0 10 -4,-1.8 4,-3.3 2,-0.2 5,-0.2 0.835 109.8 58.3 -71.8 -35.4 -19.2 -12.4 15.7 32 37 A I H X S+ 0 0 78 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.890 109.9 47.0 -58.5 -40.1 -16.7 -10.4 13.6 33 38 A K H X S+ 0 0 27 -4,-2.0 4,-2.8 -5,-0.2 3,-0.2 0.964 114.3 45.1 -62.1 -57.3 -19.4 -10.6 10.8 34 39 A I H X S+ 0 0 14 -4,-2.2 4,-2.7 1,-0.2 7,-0.2 0.894 113.3 51.1 -53.6 -44.8 -22.3 -9.6 13.2 35 40 A F H < S+ 0 0 14 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.828 112.7 46.8 -66.1 -32.6 -20.2 -6.8 14.7 36 41 A E H < S+ 0 0 89 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.932 114.7 44.4 -71.3 -48.9 -19.4 -5.6 11.2 37 42 A I H < S+ 0 0 0 -4,-2.8 230,-0.4 1,-0.3 -2,-0.2 0.898 136.0 12.4 -63.1 -42.7 -23.0 -5.7 9.9 38 43 A A >< - 0 0 1 -4,-2.7 3,-1.8 -5,-0.2 -1,-0.3 -0.707 64.3-178.2-141.7 82.9 -24.4 -4.2 13.1 39 44 A P G > S+ 0 0 51 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.699 76.7 77.6 -57.5 -21.7 -21.8 -2.6 15.4 40 45 A T G > S+ 0 0 25 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.857 83.1 66.2 -56.5 -33.7 -24.5 -1.7 17.9 41 46 A T G X S+ 0 0 8 -3,-1.8 3,-1.5 1,-0.3 4,-0.4 0.732 84.1 76.0 -57.5 -24.3 -24.5 -5.4 19.0 42 47 A K G X S+ 0 0 74 -3,-2.0 3,-1.7 1,-0.3 -1,-0.3 0.864 86.3 60.0 -56.1 -34.8 -20.9 -4.7 20.3 43 48 A K G < S+ 0 0 138 -3,-1.6 3,-0.4 -4,-0.4 -1,-0.3 0.621 90.3 67.5 -79.3 -7.0 -22.3 -2.9 23.3 44 49 A M G < S+ 0 0 38 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.684 114.4 32.5 -71.5 -20.5 -24.2 -6.1 24.4 45 50 A F S < S+ 0 0 32 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.2 0.120 91.4 100.1-122.0 17.1 -20.7 -7.4 25.0 46 51 A S S S+ 0 0 26 -3,-0.4 7,-2.7 1,-0.1 2,-0.4 0.403 73.6 62.8 -91.6 1.4 -18.9 -4.2 26.0 47 52 A F B +A 52 0A 126 5,-0.3 2,-0.4 -3,-0.1 3,-0.1 -0.988 55.8 178.1-129.8 124.3 -19.0 -4.8 29.8 48 53 A L S S- 0 0 17 3,-2.7 3,-0.4 -2,-0.4 -3,-0.0 -0.994 73.9 -8.4-125.0 128.8 -17.3 -7.7 31.7 49 54 A R S S- 0 0 211 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.914 129.9 -53.4 52.9 51.7 -17.5 -8.0 35.5 50 55 A D S S+ 0 0 173 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.744 121.9 93.8 58.1 34.1 -19.1 -4.6 35.9 51 56 A S S S- 0 0 66 -3,-0.4 -3,-2.7 2,-0.0 -1,-0.1 -0.992 83.5 -88.3-152.7 141.2 -16.4 -2.8 33.9 52 57 A P B +A 47 0A 103 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.104 44.7 172.8 -46.8 140.4 -15.8 -1.7 30.3 53 58 A I - 0 0 36 -7,-2.7 2,-0.4 5,-0.0 5,-0.1 -0.968 42.1-105.1-145.7 141.1 -14.2 -4.2 28.0 54 59 A P >> - 0 0 76 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.656 37.0-128.5 -66.4 128.8 -13.7 -4.0 24.2 55 60 A A G >4 S+ 0 0 4 -2,-0.4 3,-0.8 1,-0.3 6,-0.2 0.741 104.8 59.5 -55.7 -32.9 -16.4 -6.4 22.9 56 61 A E G 34 S+ 0 0 95 1,-0.2 -1,-0.3 -10,-0.0 -10,-0.1 0.671 104.1 53.2 -70.3 -17.5 -14.0 -8.4 20.7 57 62 A Q G <4 S+ 0 0 129 -3,-2.3 -1,-0.2 -12,-0.1 -2,-0.2 0.563 79.8 120.9 -89.4 -13.5 -12.0 -9.3 23.8 58 63 A N X< - 0 0 7 -3,-0.8 3,-1.6 -4,-0.5 4,-0.3 -0.350 58.8-147.2 -58.9 120.8 -15.1 -10.6 25.7 59 64 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.515 92.7 69.2 -69.2 -5.4 -14.5 -14.3 26.7 60 65 A K T 3> S+ 0 0 104 1,-0.1 4,-2.5 2,-0.1 5,-0.2 0.635 79.5 80.0 -84.0 -14.9 -18.2 -15.0 26.2 61 66 A L H <> S+ 0 0 7 -3,-1.6 4,-3.0 2,-0.2 5,-0.2 0.944 93.3 43.7 -59.1 -53.9 -18.1 -14.6 22.4 62 67 A K H > S+ 0 0 96 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.914 117.1 43.8 -63.6 -47.7 -16.7 -18.0 21.6 63 68 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.887 115.1 51.8 -66.5 -31.2 -18.9 -20.0 24.0 64 69 A H H X S+ 0 0 62 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.951 111.9 44.4 -63.1 -48.6 -21.9 -17.9 22.8 65 70 A A H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.851 112.1 54.2 -64.9 -35.2 -21.1 -18.6 19.1 66 71 A M H X S+ 0 0 59 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.900 105.2 53.8 -59.9 -45.5 -20.5 -22.3 20.0 67 72 A S H X S+ 0 0 50 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.906 104.6 54.7 -56.5 -44.8 -24.0 -22.3 21.6 68 73 A V H X S+ 0 0 30 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.933 113.5 41.2 -56.1 -50.7 -25.6 -21.0 18.4 69 74 A F H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.940 117.2 47.0 -60.6 -51.0 -24.0 -23.8 16.3 70 75 A V H X S+ 0 0 48 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.912 113.7 46.7 -64.5 -44.6 -24.7 -26.6 18.9 71 76 A M H X S+ 0 0 31 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.800 111.5 51.3 -72.2 -28.8 -28.2 -25.7 19.5 72 77 A C H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.894 111.0 49.8 -69.2 -40.7 -29.0 -25.3 15.8 73 78 A C H X S+ 0 0 19 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.940 112.1 46.5 -61.7 -47.5 -27.5 -28.8 15.3 74 79 A E H X S+ 0 0 101 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.855 111.4 53.3 -59.9 -37.4 -29.7 -30.2 18.2 75 80 A S H X S+ 0 0 2 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.868 104.0 55.1 -68.5 -36.7 -32.7 -28.4 16.7 76 81 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.910 109.3 47.9 -58.7 -44.7 -32.1 -30.0 13.3 77 82 A V H X S+ 0 0 40 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.897 113.7 47.1 -62.4 -43.5 -32.2 -33.5 15.0 78 83 A Q H X>S+ 0 0 48 -4,-1.9 4,-3.4 2,-0.2 6,-0.7 0.908 109.7 52.4 -66.4 -45.5 -35.4 -32.6 16.9 79 84 A L H X5S+ 0 0 1 -4,-2.8 4,-1.8 4,-0.2 -1,-0.2 0.899 111.7 46.6 -56.4 -45.0 -37.1 -31.2 13.8 80 85 A R H <5S+ 0 0 86 -4,-1.9 -76,-0.2 -5,-0.2 -1,-0.2 0.904 119.2 40.9 -64.0 -41.8 -36.4 -34.4 11.8 81 86 A K H <5S+ 0 0 133 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.884 138.1 8.2 -76.8 -43.6 -37.5 -36.6 14.7 82 87 A T H <5S- 0 0 65 -4,-3.4 -3,-0.2 2,-0.3 -2,-0.2 0.502 93.5-116.0-120.2 -11.1 -40.6 -34.8 15.9 83 88 A G S <> - 0 0 179 -2,-0.5 4,-2.2 1,-0.1 3,-0.7 -0.129 41.5-117.6 -42.3 132.3 -36.8 -27.9 28.2 89 94 A E H 3> S+ 0 0 121 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.805 107.4 49.2 -51.4 -48.9 -39.1 -25.1 29.6 90 95 A T H 3> S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.865 113.3 47.0 -61.8 -39.0 -36.9 -23.7 32.3 91 96 A T H <> S+ 0 0 59 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.903 113.1 49.7 -73.6 -37.5 -33.9 -23.3 30.0 92 97 A L H X S+ 0 0 21 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.900 110.2 49.6 -63.4 -46.6 -36.0 -21.8 27.3 93 98 A K H X S+ 0 0 85 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.886 112.3 49.3 -58.5 -40.9 -37.5 -19.2 29.7 94 99 A R H X S+ 0 0 188 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.928 110.4 49.7 -64.7 -46.0 -34.0 -18.4 30.9 95 100 A L H X S+ 0 0 35 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.897 113.1 47.6 -58.0 -44.5 -32.9 -18.0 27.3 96 101 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.972 114.4 45.5 -57.9 -56.0 -35.8 -15.7 26.7 97 102 A A H X S+ 0 0 57 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.884 112.3 51.8 -56.8 -43.9 -35.2 -13.7 29.8 98 103 A S H X S+ 0 0 51 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.903 113.4 42.6 -61.7 -45.7 -31.4 -13.4 29.1 99 104 A H H <>S+ 0 0 34 -4,-1.9 5,-2.4 2,-0.2 -2,-0.2 0.899 115.9 46.7 -71.6 -41.3 -31.8 -12.1 25.6 100 105 A S H ><5S+ 0 0 58 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.880 106.4 60.2 -70.9 -34.7 -34.6 -9.7 26.3 101 106 A K H 3<5S+ 0 0 153 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.898 108.9 44.9 -51.7 -41.9 -32.6 -8.5 29.4 102 107 A Y T 3<5S- 0 0 117 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.362 120.4-111.0 -89.4 4.6 -29.9 -7.5 26.9 103 108 A G T < 5 + 0 0 43 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.801 53.2 169.7 74.4 29.7 -32.4 -5.9 24.4 104 109 A V < + 0 0 16 -5,-2.4 2,-0.2 -6,-0.1 -1,-0.2 -0.596 9.7 178.6 -71.9 129.2 -32.0 -8.5 21.7 105 110 A V >> - 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