==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 05-APR-06 2GLN . COMPND 2 MOLECULE: HEMOGLOBIN-LIKE PROTEIN HBN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.MILANI,M.BOLOGNESI . 260 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 1 0.4 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 . 6 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 50.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.1 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 4 2 0 0 0 0 2 0 0 0 2 0 2 2 0 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 . 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 G > 0 0 72 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-162.7 29.3 3.0 3.3 2 3 A L H > + 0 0 67 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.873 360.0 56.8 -52.3 -42.7 28.5 5.2 0.3 3 4 A L H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 109.2 43.5 -59.3 -46.7 31.8 4.2 -1.4 4 5 A S H > S+ 0 0 65 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.869 114.4 52.1 -65.6 -35.7 30.9 0.5 -1.3 5 6 A R H ><>S+ 0 0 48 -4,-2.1 5,-2.5 1,-0.2 3,-0.5 0.904 108.2 50.2 -70.1 -41.5 27.4 1.4 -2.4 6 7 A L H ><5S+ 0 0 80 -4,-3.3 3,-2.1 1,-0.2 -1,-0.2 0.890 104.9 57.2 -61.5 -41.0 28.6 3.3 -5.4 7 8 A R H 3<5S+ 0 0 182 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.779 106.2 51.1 -61.3 -24.6 30.9 0.4 -6.4 8 9 A K T <<5S- 0 0 144 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.294 118.0-116.2 -91.5 9.0 27.7 -1.7 -6.5 9 10 A R T < 5 + 0 0 221 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.729 60.9 158.0 57.4 25.1 26.0 1.0 -8.7 10 11 A E < - 0 0 93 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.559 45.3-106.3 -72.9 141.6 23.5 1.6 -5.9 11 12 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.319 30.6-101.2 -76.2 155.9 21.9 5.1 -6.3 12 13 A I - 0 0 94 4,-0.1 2,-0.1 3,-0.0 54,-0.0 -0.624 42.1-148.0 -72.6 122.6 22.7 8.1 -4.0 13 14 A S > - 0 0 21 -2,-0.4 4,-2.7 53,-0.1 5,-0.1 -0.443 26.7-108.2 -86.0 166.4 19.9 8.5 -1.4 14 15 A I H > S+ 0 0 19 51,-0.3 4,-2.3 1,-0.2 5,-0.2 0.936 123.5 58.3 -53.9 -48.6 18.6 11.7 0.1 15 16 A Y H >>S+ 0 0 19 50,-2.7 5,-3.3 1,-0.2 4,-0.6 0.902 109.3 43.4 -42.9 -53.7 20.4 10.4 3.3 16 17 A D H >45S+ 0 0 22 49,-0.3 3,-0.9 3,-0.2 -2,-0.2 0.922 111.3 55.3 -60.6 -49.5 23.7 10.3 1.4 17 18 A K H 3<5S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.837 110.1 44.1 -50.9 -43.8 23.1 13.7 -0.3 18 19 A I H 3<5S- 0 0 25 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.495 129.7 -87.6 -90.7 -3.9 22.6 15.6 3.0 19 20 A G T > S+ 0 0 61 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.846 132.7 52.9 -52.2 -47.8 23.9 9.8 10.1 22 23 A E H 3> S+ 0 0 155 -3,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.880 111.6 47.7 -58.9 -37.9 25.9 12.7 11.5 23 24 A A H < S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 6,-0.3 0.942 113.5 46.0 -62.6 -50.1 9.3 22.2 18.2 36 37 A L H 3< S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.739 110.3 55.5 -67.6 -21.5 9.6 22.4 22.0 37 38 A A H 3< S+ 0 0 66 -4,-1.4 2,-0.7 -5,-0.2 -1,-0.2 0.552 87.6 93.0 -83.4 -8.9 10.1 26.2 21.8 38 39 A D XX - 0 0 8 -3,-1.2 4,-2.6 -4,-0.5 3,-2.1 -0.778 67.6-153.6 -91.8 112.9 6.9 26.6 19.8 39 40 A D T 34 S+ 0 0 152 -2,-0.7 4,-0.3 1,-0.3 -1,-0.1 0.634 95.2 58.5 -67.8 -12.2 4.1 27.4 22.3 40 41 A Q T 34 S+ 0 0 83 2,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.662 120.0 26.8 -79.8 -19.3 1.6 25.8 19.8 41 42 A L T X4 S+ 0 0 2 -3,-2.1 3,-1.5 -6,-0.3 4,-0.4 0.725 95.8 82.5-115.4 -31.2 3.4 22.5 19.9 42 43 A S G >< S+ 0 0 38 -4,-2.6 3,-1.8 -7,-0.3 4,-0.1 0.815 84.5 61.9 -57.2 -38.5 5.4 22.0 23.2 43 44 A A G > S+ 0 0 77 1,-0.3 3,-1.6 -4,-0.3 4,-0.3 0.775 90.9 68.0 -59.7 -28.6 2.4 20.6 25.3 44 45 A F G < S+ 0 0 64 -3,-1.5 -1,-0.3 1,-0.3 3,-0.3 0.784 104.5 46.1 -58.4 -25.5 2.0 17.6 22.9 45 46 A F G X S+ 0 0 43 -3,-1.8 3,-1.7 -4,-0.4 -1,-0.3 0.303 78.7 107.2-103.3 7.0 5.4 16.5 24.3 46 47 A S T < S+ 0 0 107 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.882 88.9 36.7 -53.6 -44.5 4.6 17.1 28.0 47 48 A G T 3 S+ 0 0 83 -4,-0.3 2,-0.3 -3,-0.3 -1,-0.3 0.389 100.1 112.6 -87.3 6.5 4.4 13.4 28.8 48 49 A T < - 0 0 45 -3,-1.7 2,-1.3 1,-0.1 3,-0.1 -0.628 69.0-132.9 -95.1 133.9 7.2 12.4 26.4 49 50 A N > - 0 0 100 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 -0.711 26.8-169.1 -74.1 98.4 10.6 11.0 27.1 50 51 A M H > S+ 0 0 37 -2,-1.3 4,-2.4 2,-0.2 5,-0.2 0.807 79.1 57.2 -64.2 -34.2 12.4 13.4 24.8 51 52 A S H > S+ 0 0 100 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.951 111.7 42.6 -63.5 -46.9 15.7 11.6 24.9 52 53 A R H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.924 112.8 53.9 -60.8 -47.4 14.1 8.4 23.7 53 54 A L H X S+ 0 0 37 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.928 106.3 50.8 -54.1 -51.2 12.1 10.3 21.1 54 55 A K H X S+ 0 0 65 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.896 109.4 51.6 -60.4 -41.4 15.1 12.0 19.5 55 56 A G H X S+ 0 0 35 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.945 113.0 44.9 -55.8 -49.7 16.9 8.6 19.2 56 57 A K H X S+ 0 0 46 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.847 111.9 52.2 -65.1 -36.1 13.8 7.1 17.5 57 58 A A H X S+ 0 0 8 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.887 106.4 53.3 -68.5 -38.8 13.4 10.2 15.2 58 59 A V H X S+ 0 0 14 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.962 113.6 44.0 -55.2 -51.2 17.0 10.0 14.1 59 60 A E H X S+ 0 0 54 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.922 113.4 51.7 -61.4 -45.4 16.4 6.3 13.2 60 61 A F H X S+ 0 0 39 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.959 113.2 41.8 -57.2 -56.3 13.1 7.2 11.5 61 62 A F H X S+ 0 0 25 -4,-3.0 4,-1.7 2,-0.2 6,-0.2 0.882 113.3 53.4 -61.9 -39.3 14.5 9.9 9.3 62 63 A A H <>S+ 0 0 1 -4,-2.6 5,-3.0 -5,-0.3 3,-0.2 0.956 115.2 40.1 -57.8 -51.4 17.6 8.0 8.4 63 64 A A H ><5S+ 0 0 39 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.893 114.1 53.7 -64.4 -41.7 15.6 4.9 7.3 64 65 A A H 3<5S+ 0 0 39 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.776 109.3 49.0 -66.0 -29.1 12.9 7.1 5.6 65 66 A L T 3<5S- 0 0 9 -4,-1.7 -50,-2.7 -3,-0.2 -51,-0.3 0.209 128.7 -91.0-100.3 13.2 15.5 8.9 3.5 66 67 A G T < 5S+ 0 0 45 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.557 72.8 149.3 96.5 11.6 17.3 5.8 2.3 67 68 A G < - 0 0 14 -5,-3.0 -1,-0.2 -6,-0.2 -53,-0.0 -0.279 54.3-119.0 -70.3 161.7 20.0 5.2 5.0 68 69 A P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.511 83.0 95.8 -81.1 -3.7 21.2 1.6 5.8 69 70 A E S S- 0 0 103 1,-0.1 -2,-0.1 -10,-0.1 -3,-0.1 -0.672 74.6-115.3 -97.7 143.9 20.1 1.8 9.5 70 71 A P - 0 0 85 0, 0.0 2,-0.5 0, 0.0 -8,-0.1 -0.366 12.9-127.6 -77.3 148.9 16.8 0.5 10.8 71 72 A Y - 0 0 68 -11,-0.1 -15,-0.1 1,-0.1 -14,-0.1 -0.844 26.5-176.7 -84.1 127.1 13.9 2.4 12.4 72 73 A T + 0 0 73 -2,-0.5 -1,-0.1 -16,-0.1 -16,-0.1 0.197 45.6 93.3-116.6 16.5 13.2 0.6 15.7 73 74 A G S S- 0 0 26 -17,-0.2 3,-0.1 1,-0.2 -2,-0.1 -0.177 80.5 -72.8 -95.1-168.2 10.2 2.6 17.0 74 75 A A - 0 0 34 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.0 -0.435 60.3 -78.1 -87.4 158.4 6.5 2.1 16.7 75 76 A P > - 0 0 78 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.284 38.0-124.6 -56.7 141.7 4.2 2.6 13.6 76 77 A M H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.851 107.8 50.1 -55.9 -43.1 3.4 6.3 12.9 77 78 A K H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.952 111.7 46.0 -64.5 -49.8 -0.3 5.7 12.9 78 79 A Q H 4 S+ 0 0 138 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.871 115.0 47.8 -61.3 -43.0 -0.5 3.9 16.2 79 80 A V H < S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.933 121.5 32.6 -61.5 -47.7 1.8 6.5 17.9 80 81 A H H >< S+ 0 0 44 -4,-2.2 3,-1.7 44,-0.2 5,-0.4 0.686 89.6 104.1 -92.7 -23.2 0.0 9.6 16.7 81 82 A Q T 3< S+ 0 0 129 -4,-2.4 46,-0.1 1,-0.2 45,-0.1 -0.341 86.1 21.6 -65.9 142.0 -3.6 8.6 16.5 82 83 A G T 3 S+ 0 0 74 3,-0.1 -1,-0.2 44,-0.1 -2,-0.1 0.299 91.4 108.1 88.3 -9.9 -5.8 9.9 19.3 83 84 A R S < S- 0 0 135 -3,-1.7 -2,-0.1 42,-0.2 3,-0.1 0.386 87.8-118.3 -85.2 4.5 -3.4 12.8 20.2 84 85 A G + 0 0 43 1,-0.2 2,-0.5 -4,-0.1 42,-0.1 0.841 56.0 160.9 62.8 32.7 -5.6 15.6 18.8 85 86 A I - 0 0 19 -5,-0.4 42,-2.4 40,-0.3 43,-0.8 -0.777 19.9-163.3 -88.7 122.7 -2.9 16.5 16.2 86 87 A T > - 0 0 42 -2,-0.5 4,-2.6 40,-0.2 5,-0.2 -0.515 36.9-102.9-101.3 172.8 -4.4 18.6 13.3 87 88 A M H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.834 123.6 59.9 -59.6 -33.5 -3.2 19.4 9.9 88 89 A H H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.948 108.4 42.7 -60.0 -46.4 -2.4 22.9 11.4 89 90 A H H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.898 111.9 54.1 -67.1 -42.0 -0.0 21.2 13.9 90 91 A F H X S+ 0 0 19 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.904 108.0 50.8 -55.4 -43.6 1.5 18.9 11.2 91 92 A S H X S+ 0 0 64 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.876 109.0 50.0 -66.4 -38.1 2.2 21.9 9.0 92 93 A L H X S+ 0 0 40 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.929 112.7 47.9 -63.9 -45.5 4.0 23.8 11.9 93 94 A V H X S+ 0 0 41 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.919 111.6 49.1 -60.7 -47.2 6.0 20.6 12.6 94 95 A A H X S+ 0 0 18 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.893 109.5 54.2 -57.8 -40.7 6.9 20.2 8.9 95 96 A G H X S+ 0 0 31 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.914 107.9 48.5 -59.3 -42.9 7.9 23.9 8.9 96 97 A H H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.886 109.1 53.5 -66.1 -38.9 10.3 23.4 11.8 97 98 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.914 109.8 47.7 -59.7 -46.2 11.8 20.4 10.0 98 99 A A H X S+ 0 0 18 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.873 111.4 51.0 -59.2 -41.4 12.4 22.6 6.9 99 100 A D H X S+ 0 0 46 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.902 109.3 50.5 -65.2 -40.7 13.9 25.3 9.2 100 101 A A H X S+ 0 0 1 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.906 112.4 46.7 -61.1 -43.5 16.2 22.7 10.8 101 102 A L H <>S+ 0 0 4 -4,-2.1 5,-2.4 2,-0.2 4,-0.3 0.908 113.4 48.6 -65.5 -41.9 17.3 21.5 7.3 102 103 A T H ><5S+ 0 0 64 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.921 110.0 51.8 -61.1 -47.6 17.8 25.1 6.2 103 104 A A H 3<5S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.800 106.8 55.0 -59.4 -32.4 19.8 25.8 9.3 104 105 A A T 3<5S- 0 0 46 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.487 120.5-108.4 -80.1 -6.0 22.0 22.8 8.5 105 106 A G T < 5 + 0 0 49 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.643 61.7 157.4 86.0 17.4 22.8 24.1 5.0 106 107 A V < - 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