==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-FEB-06 2G2D . COMPND 2 MOLECULE: ATP:COBALAMIN ADENOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.H.MOON,A.KAVIRATNE,M.YU,E.H.BURSEY,L.-W.HUNG,T.P.LEKIN,B.W . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 67.5 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 . 3 1.9 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 60.0 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+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 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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 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 29 A T 0 0 170 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -64.2 68.7 82.3 76.7 2 30 A D > - 0 0 60 1,-0.1 4,-2.4 2,-0.0 5,-0.2 -0.337 360.0-131.8 -60.1 136.3 66.9 81.8 80.0 3 31 A A H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 115,-0.2 0.833 109.8 50.1 -59.8 -33.3 67.6 78.4 81.5 4 32 A R H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 109.1 51.2 -71.9 -39.3 63.8 77.9 82.0 5 33 A L H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.902 111.2 47.6 -65.3 -40.9 63.1 78.9 78.4 6 34 A V H X S+ 0 0 59 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.943 112.8 47.4 -66.1 -48.2 65.6 76.4 77.0 7 35 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 107,-0.3 -2,-0.2 0.910 112.0 51.5 -59.5 -41.9 64.4 73.5 79.2 8 36 A Y H X S+ 0 0 101 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.941 110.4 48.1 -60.4 -47.8 60.8 74.3 78.2 9 37 A A H X S+ 0 0 48 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.847 108.7 53.2 -63.1 -37.5 61.6 74.3 74.5 10 38 A D H X S+ 0 0 25 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.851 106.7 53.1 -67.6 -33.6 63.5 71.0 74.8 11 39 A C H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.891 108.8 50.1 -65.5 -39.2 60.5 69.4 76.4 12 40 A D H X S+ 0 0 93 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.900 109.8 50.4 -65.3 -41.4 58.4 70.6 73.5 13 41 A E H X S+ 0 0 92 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.919 112.0 47.4 -63.9 -42.7 61.0 69.0 71.1 14 42 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.916 110.3 53.0 -63.8 -41.1 60.8 65.7 73.0 15 43 A N H X S+ 0 0 25 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.911 107.6 50.7 -61.6 -40.1 57.0 65.9 72.9 16 44 A A H X S+ 0 0 61 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.852 105.4 56.6 -66.5 -33.8 57.0 66.4 69.1 17 45 A A H X S+ 0 0 16 -4,-1.8 4,-1.9 2,-0.2 87,-0.2 0.889 107.1 49.1 -64.1 -37.2 59.3 63.3 68.7 18 46 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.923 107.7 55.4 -67.2 -39.5 56.6 61.3 70.6 19 47 A G H X S+ 0 0 22 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.882 106.8 50.0 -58.5 -37.8 54.0 62.7 68.3 20 48 A A H X S+ 0 0 38 -4,-1.9 4,-3.1 2,-0.2 5,-0.5 0.909 108.3 52.7 -68.0 -40.4 56.1 61.5 65.3 21 49 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 79,-0.2 -2,-0.2 0.930 113.2 44.1 -59.1 -46.1 56.3 58.0 66.8 22 50 A L H X S+ 0 0 32 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.893 119.1 42.7 -65.7 -40.6 52.5 57.9 67.2 23 51 A A H < S+ 0 0 70 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.811 129.8 23.4 -78.4 -32.4 51.8 59.3 63.8 24 52 A L H < S+ 0 0 115 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.557 118.0 57.7-111.0 -13.4 54.4 57.3 61.8 25 53 A G H < S- 0 0 10 -4,-2.1 72,-0.3 -5,-0.5 -3,-0.2 0.537 84.7-145.9 -96.2 -9.1 55.0 54.2 64.0 26 54 A H < - 0 0 156 -4,-0.5 -4,-0.1 -5,-0.2 -3,-0.1 0.899 23.7-166.6 45.1 58.7 51.4 53.0 64.1 27 55 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.331 22.5-101.3 -72.4 158.5 51.5 51.6 67.6 28 56 A D > - 0 0 95 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.090 42.8 -90.0 -69.5 178.3 48.7 49.4 68.9 29 57 A T H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.876 123.7 50.0 -59.6 -43.1 46.0 50.6 71.2 30 58 A Q H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.960 114.2 42.7 -61.7 -54.1 47.8 49.9 74.5 31 59 A I H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.870 111.0 58.2 -61.4 -37.4 51.0 51.7 73.5 32 60 A T H X S+ 0 0 37 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.939 105.6 48.2 -58.1 -49.8 49.1 54.5 72.0 33 61 A D H X S+ 0 0 92 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.874 112.4 49.0 -61.7 -38.1 47.3 55.2 75.3 34 62 A V H X S+ 0 0 9 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.968 114.0 45.3 -65.4 -51.7 50.6 55.2 77.2 35 63 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.880 111.2 53.0 -60.4 -38.5 52.3 57.5 74.7 36 64 A R H X S+ 0 0 148 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.879 108.3 50.9 -65.6 -35.9 49.3 59.9 74.6 37 65 A Q H X S+ 0 0 74 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.890 108.7 52.0 -67.6 -38.0 49.4 60.1 78.4 38 66 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.885 105.3 54.7 -65.3 -36.8 53.1 60.9 78.2 39 67 A Q H X S+ 0 0 53 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.933 109.5 48.3 -62.2 -39.9 52.4 63.7 75.7 40 68 A N H X S+ 0 0 97 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.903 111.9 49.2 -64.7 -41.4 50.0 65.2 78.2 41 69 A D H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.855 106.5 56.0 -65.7 -38.3 52.6 64.9 81.0 42 70 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.822 103.6 54.0 -65.6 -30.2 55.3 66.5 78.8 43 71 A F H X S+ 0 0 130 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.953 110.4 47.6 -65.2 -47.1 53.0 69.6 78.4 44 72 A D H X S+ 0 0 15 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.900 109.2 53.2 -58.5 -42.9 52.8 69.7 82.2 45 73 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.908 110.2 48.2 -61.1 -41.2 56.6 69.3 82.5 46 74 A G H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.938 111.3 48.6 -64.1 -48.8 57.0 72.3 80.1 47 75 A A H X S+ 0 0 19 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.896 113.4 49.3 -57.5 -42.2 54.5 74.5 82.0 48 76 A D H < S+ 0 0 2 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.960 112.1 46.5 -61.7 -55.2 56.3 73.6 85.3 49 77 A L H < S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.858 113.5 49.2 -58.2 -37.1 59.8 74.3 84.0 50 78 A S H < S+ 0 0 49 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.781 99.7 74.5 -75.8 -27.1 58.7 77.7 82.5 51 79 A T S < S- 0 0 60 -4,-1.5 -1,-0.1 -3,-0.4 3,-0.1 -0.775 80.8-134.3 -93.9 113.5 56.9 78.9 85.6 52 80 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 74,-0.2 -0.328 33.0-101.2 -63.0 145.8 59.2 80.0 88.5 53 81 A I - 0 0 74 72,-2.1 2,-0.3 4,-0.0 73,-0.0 -0.491 41.4-168.4 -72.4 135.0 58.1 78.7 91.8 54 82 A V - 0 0 68 -2,-0.2 2,-0.2 -3,-0.1 -3,-0.0 -0.934 25.1-108.1-124.5 147.9 56.2 81.1 94.1 55 83 A E S S- 0 0 171 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.532 95.9 -5.2 -75.2 138.1 55.3 80.9 97.7 56 84 A N S S- 0 0 135 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.899 84.6-152.0 45.0 58.6 51.6 80.3 98.5 57 85 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.280 11.7-153.7 -58.8 142.5 50.4 80.5 94.9 58 86 A K S S+ 0 0 209 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.437 75.2 72.4 -95.6 -2.5 46.8 81.6 94.6 59 87 A H S S- 0 0 90 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.716 100.5 -89.8-108.9 161.0 46.4 79.8 91.3 60 88 A P - 0 0 119 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.550 50.3-125.1 -69.7 125.3 46.1 76.0 90.7 61 89 A P - 0 0 83 0, 0.0 2,-0.6 0, 0.0 -13,-0.1 -0.453 13.5-154.5 -74.2 146.6 49.7 74.9 90.2 62 90 A L + 0 0 73 -2,-0.1 2,-0.3 -15,-0.1 -11,-0.2 -0.862 43.2 144.5-118.3 88.5 50.5 72.9 87.0 63 91 A R - 0 0 54 -2,-0.6 2,-0.3 -15,-0.1 -18,-0.1 -0.954 58.0-108.8-130.3 147.1 53.5 71.0 88.3 64 92 A I - 0 0 2 -2,-0.3 2,-0.3 -20,-0.2 65,-0.2 -0.601 43.3-157.6 -70.7 132.4 54.9 67.5 87.8 65 93 A A >> - 0 0 40 -2,-0.3 3,-1.9 64,-0.1 4,-0.9 -0.747 31.0-104.0-110.7 162.8 54.1 65.6 91.0 66 94 A Q H 3> S+ 0 0 87 1,-0.3 4,-2.6 -2,-0.3 3,-0.5 0.858 117.7 67.8 -52.0 -36.1 55.8 62.5 92.4 67 95 A S H 3> S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.781 93.5 58.2 -57.1 -27.8 52.8 60.5 91.3 68 96 A Y H <> S+ 0 0 41 -3,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.937 110.3 42.6 -65.4 -45.4 53.8 61.2 87.6 69 97 A I H X S+ 0 0 1 -4,-0.9 4,-2.6 -3,-0.5 -2,-0.2 0.894 110.2 55.0 -68.7 -42.3 57.1 59.6 88.2 70 98 A D H X S+ 0 0 83 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.890 107.6 53.1 -58.8 -37.3 55.7 56.7 90.2 71 99 A R H X S+ 0 0 69 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.927 108.9 46.4 -64.6 -46.5 53.4 56.0 87.3 72 100 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.927 111.4 53.3 -61.4 -43.5 56.3 55.8 84.7 73 101 A E H X S+ 0 0 67 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.885 108.7 49.9 -59.2 -38.4 58.3 53.6 87.1 74 102 A G H X S+ 0 0 39 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.933 111.1 47.9 -66.0 -45.7 55.3 51.2 87.3 75 103 A W H X S+ 0 0 57 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.884 107.9 57.0 -62.0 -39.6 55.0 51.1 83.5 76 104 A C H X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.958 112.4 40.0 -55.3 -51.4 58.7 50.4 83.2 77 105 A D H X S+ 0 0 117 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.897 115.7 51.6 -66.5 -40.6 58.5 47.4 85.5 78 106 A A H < S+ 0 0 69 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.932 116.9 37.9 -63.3 -46.8 55.2 46.2 83.9 79 107 A Y H >< S+ 0 0 30 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.864 114.3 53.5 -73.5 -37.1 56.5 46.4 80.3 80 108 A N H >< S+ 0 0 71 -4,-2.5 3,-1.6 -5,-0.4 -1,-0.2 0.718 92.0 78.2 -71.0 -19.2 60.0 45.1 81.0 81 109 A A T 3< S+ 0 0 85 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.869 91.7 49.4 -59.1 -39.4 58.6 42.0 82.8 82 110 A G T < S+ 0 0 73 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.1 0.159 93.9 99.8 -89.2 22.8 57.8 40.2 79.5 83 111 A L < - 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