==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-DEC-08 3FOQ . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.K.VERMA,B.PRAKASH . 439 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 4.3 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 53 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 13 6 3 1 2 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 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 1 0 1 1 1 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 M 0 0 163 0, 0.0 2,-0.5 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 137.8 -62.7 26.4 11.5 2 2 A T + 0 0 74 44,-0.2 119,-0.0 0, 0.0 122,-0.0 -0.869 360.0 144.8-104.0 129.1 -60.6 23.5 12.7 3 3 A F - 0 0 76 -2,-0.5 45,-0.1 121,-0.0 44,-0.1 -0.956 34.6-134.5-160.9 140.0 -62.2 20.0 13.2 4 4 A P - 0 0 35 0, 0.0 3,-0.1 0, 0.0 120,-0.0 -0.188 27.3-108.9 -85.0-175.9 -61.2 16.3 12.8 5 5 A G S S- 0 0 25 1,-0.2 2,-0.8 -2,-0.0 45,-0.1 0.707 80.2 -21.8 -79.8-116.9 -63.2 13.5 11.1 6 6 A D S S+ 0 0 64 43,-0.1 101,-2.0 99,-0.1 2,-0.3 -0.846 86.2 146.3-103.6 97.6 -64.7 10.7 13.2 7 7 A T E -a 107 0A 0 -2,-0.8 43,-1.9 99,-0.2 44,-1.1 -0.951 36.8-154.1-135.1 151.3 -62.7 10.6 16.5 8 8 A A E -ab 108 51A 0 99,-2.9 101,-3.1 -2,-0.3 2,-0.5 -0.995 16.7-151.6-126.2 125.8 -63.2 9.9 20.2 9 9 A V E -ab 109 52A 5 42,-2.5 44,-2.1 -2,-0.4 2,-0.5 -0.855 4.7-161.8-106.6 125.9 -61.0 11.5 22.8 10 10 A L E -ab 110 53A 0 99,-3.6 101,-2.5 -2,-0.5 2,-0.5 -0.919 6.2-155.3-106.9 123.7 -60.2 9.8 26.2 11 11 A V E -ab 111 54A 0 42,-2.8 44,-3.2 -2,-0.5 2,-0.9 -0.859 6.0-149.5 -99.7 127.2 -58.8 12.0 29.0 12 12 A L E +ab 112 55A 22 99,-2.8 101,-2.0 -2,-0.5 102,-0.4 -0.820 38.9 143.0-101.6 98.6 -56.8 10.2 31.7 13 13 A A E + b 0 56A 5 42,-1.9 44,-0.8 -2,-0.9 -1,-0.1 -0.337 34.9 109.4-127.4 49.4 -57.1 12.0 35.0 14 14 A A + 0 0 16 42,-0.3 42,-0.1 43,-0.1 -1,-0.1 0.331 42.6 123.7-107.2 3.5 -57.2 9.0 37.4 15 15 A G - 0 0 32 -3,-0.1 11,-0.3 1,-0.1 12,-0.2 -0.436 59.7-139.9 -69.6 138.1 -53.8 9.6 39.0 16 16 A P - 0 0 85 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 0.810 27.2-138.7 -67.8 -32.2 -53.6 10.0 42.8 17 17 A G >> + 0 0 7 8,-0.1 5,-0.6 9,-0.1 4,-0.6 0.941 43.1 157.0 71.3 51.4 -51.1 12.8 42.7 18 18 A T T 45S+ 0 0 81 1,-0.2 3,-0.5 2,-0.2 198,-0.0 0.789 71.0 59.9 -74.4 -29.9 -48.8 11.7 45.6 19 19 A R T 45S+ 0 0 123 1,-0.2 199,-0.4 2,-0.1 -1,-0.2 0.705 97.8 59.9 -71.5 -22.3 -45.9 13.6 44.1 20 20 A M T 45S- 0 0 4 -3,-0.3 -1,-0.2 197,-0.2 198,-0.2 0.792 93.9-146.3 -72.7 -30.9 -47.9 16.9 44.4 21 21 A R T <5 + 0 0 201 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.1 0.949 49.8 134.2 58.4 55.2 -48.3 16.4 48.2 22 22 A S < - 0 0 40 -5,-0.6 -1,-0.2 1,-0.1 4,-0.1 -0.970 61.9-147.2-136.7 146.7 -51.8 18.0 48.2 23 23 A D S S+ 0 0 165 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.813 92.2 73.7 -75.5 -34.7 -55.2 17.3 49.7 24 24 A T S S- 0 0 71 1,-0.1 5,-0.1 -3,-0.1 -2,-0.0 -0.732 104.1 -98.2 -81.8 124.9 -56.7 18.9 46.6 25 25 A P > - 0 0 6 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.005 27.6-118.2 -45.3 144.9 -56.4 16.5 43.5 26 26 A K G > S+ 0 0 19 -10,-0.3 3,-1.5 -11,-0.3 10,-0.2 0.870 109.1 51.3 -52.5 -49.5 -53.5 17.1 41.1 27 27 A V G 3 S+ 0 0 5 1,-0.3 10,-1.7 -12,-0.2 9,-0.5 0.675 101.7 61.8 -71.7 -19.1 -55.6 17.8 38.0 28 28 A L G < S+ 0 0 36 -3,-0.9 2,-0.3 8,-0.2 -1,-0.3 0.427 75.2 119.1 -86.8 0.5 -57.7 20.5 39.7 29 29 A H < - 0 0 31 -3,-1.5 7,-1.3 -4,-0.2 2,-0.3 -0.525 61.0-133.0 -70.5 129.2 -54.7 22.7 40.4 30 30 A T E +G 35 0B 98 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.606 26.2 176.0 -90.5 141.9 -55.0 26.1 38.6 31 31 A L E > -G 34 0B 8 3,-2.8 3,-0.8 -2,-0.3 191,-0.0 -0.965 68.2 -12.0-146.0 128.5 -52.3 27.8 36.6 32 32 A A T 3 S- 0 0 16 -2,-0.3 221,-1.6 1,-0.3 2,-0.4 0.845 132.7 -40.9 50.7 43.3 -52.6 31.1 34.6 33 33 A G T 3 S+ 0 0 39 219,-0.2 -1,-0.3 1,-0.1 2,-0.2 -0.525 125.4 56.0 114.5 -64.3 -56.4 31.3 35.0 34 34 A R E < S-G 31 0B 52 -3,-0.8 -3,-2.8 -2,-0.4 -1,-0.1 -0.590 79.0-107.0-105.9 163.2 -57.7 27.8 34.5 35 35 A S E > -G 30 0B 18 -5,-0.3 4,-2.0 -2,-0.2 -5,-0.2 -0.294 36.9-103.5 -78.6 169.8 -57.1 24.3 36.0 36 36 A M H > S+ 0 0 0 -7,-1.3 4,-1.4 -9,-0.5 79,-0.2 0.842 124.1 49.2 -64.8 -35.5 -55.1 21.5 34.4 37 37 A L H > S+ 0 0 0 -10,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.867 110.9 50.6 -68.7 -38.7 -58.4 19.7 33.6 38 38 A S H > S+ 0 0 15 -11,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.832 108.0 53.1 -68.1 -34.8 -59.9 22.9 32.1 39 39 A H H X S+ 0 0 19 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.851 112.8 43.4 -68.6 -37.6 -56.8 23.4 29.9 40 40 A V H X S+ 0 0 2 -4,-1.4 4,-1.4 73,-0.2 3,-0.2 0.937 115.2 47.0 -72.6 -49.3 -57.0 19.9 28.4 41 41 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.759 108.9 55.3 -68.5 -28.1 -60.8 19.9 27.9 42 42 A H H X S+ 0 0 35 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.859 106.2 51.5 -69.8 -37.7 -60.8 23.4 26.3 43 43 A A H X S+ 0 0 2 -4,-1.0 4,-0.8 -3,-0.2 -2,-0.2 0.834 111.5 46.5 -68.7 -35.4 -58.2 22.3 23.7 44 44 A I H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 3,-0.2 0.814 109.0 55.7 -75.1 -32.6 -60.3 19.2 22.7 45 45 A A H < S+ 0 0 20 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.720 96.4 66.0 -72.3 -23.3 -63.5 21.3 22.5 46 46 A K H < S+ 0 0 123 -4,-1.0 -44,-0.2 1,-0.2 -1,-0.2 0.903 115.0 28.5 -63.3 -44.0 -61.8 23.7 20.0 47 47 A L H < S- 0 0 6 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.784 104.2-149.8 -84.2 -32.1 -61.7 20.9 17.4 48 48 A A < - 0 0 46 -4,-2.2 -3,-0.2 -45,-0.1 2,-0.0 0.968 10.4-155.6 60.0 96.1 -64.8 19.2 18.9 49 49 A P - 0 0 10 0, 0.0 -41,-0.2 0, 0.0 3,-0.1 -0.181 28.3-106.8 -84.8-176.7 -64.8 15.4 18.4 50 50 A Q S S+ 0 0 100 -43,-1.9 2,-0.4 1,-0.2 -42,-0.2 0.820 102.2 24.2 -79.8 -35.0 -67.8 13.0 18.4 51 51 A R E -b 8 0A 94 -44,-1.1 -42,-2.5 2,-0.0 2,-0.4 -0.992 59.3-176.9-135.4 141.2 -67.1 11.6 21.8 52 52 A L E +b 9 0A 1 -2,-0.4 27,-2.9 25,-0.3 2,-0.4 -0.952 11.1 171.2-139.3 117.9 -65.3 12.9 24.9 53 53 A I E -bc 10 79A 0 -44,-2.1 -42,-2.8 -2,-0.4 2,-0.5 -0.988 17.0-154.0-130.4 135.7 -64.8 10.7 28.1 54 54 A V E -bc 11 80A 0 25,-2.2 27,-3.2 -2,-0.4 2,-0.4 -0.942 10.2-144.4-113.7 126.0 -62.7 11.4 31.2 55 55 A V E -bc 12 81A 0 -44,-3.2 -42,-1.9 -2,-0.5 2,-0.3 -0.733 24.1-170.1 -87.8 133.4 -61.4 8.6 33.4 56 56 A L E -bc 13 82A 0 25,-2.2 27,-2.1 -2,-0.4 -42,-0.3 -0.917 25.6-162.0-129.0 150.6 -61.3 9.4 37.1 57 57 A G S S+ 0 0 28 -44,-0.8 2,-1.2 -2,-0.3 -1,-0.2 0.826 95.1 17.4 -86.3 -93.5 -59.9 7.9 40.3 58 58 A H S S+ 0 0 92 1,-0.2 4,-0.5 24,-0.1 3,-0.3 -0.739 84.6 178.7 -79.5 97.7 -61.7 9.5 43.3 59 59 A D >> + 0 0 42 -2,-1.2 4,-2.1 -3,-0.2 3,-0.7 0.808 55.8 73.5 -79.4 -35.4 -64.6 10.8 41.1 60 60 A H T 34 S+ 0 0 158 1,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.755 102.9 41.9 -61.1 -31.4 -67.0 12.5 43.5 61 61 A Q T 34 S+ 0 0 107 -3,-0.3 -1,-0.3 1,-0.1 3,-0.2 0.744 120.5 44.3 -82.2 -25.9 -64.9 15.6 44.0 62 62 A R T <> S+ 0 0 4 -3,-0.7 4,-1.2 -4,-0.5 -2,-0.2 0.600 100.1 68.7 -93.6 -15.0 -63.9 15.8 40.3 63 63 A I T < S+ 0 0 65 -4,-2.1 5,-0.5 1,-0.2 -1,-0.2 0.538 89.9 66.8 -82.5 -8.2 -67.4 15.1 38.9 64 64 A A T 4>S+ 0 0 55 -3,-0.2 5,-0.6 -5,-0.2 4,-0.3 0.943 107.6 32.8 -78.3 -52.9 -68.6 18.6 40.2 65 65 A P I >>S+ 0 0 31 0, 0.0 5,-1.8 0, 0.0 4,-0.9 0.859 112.3 75.4 -71.1 -33.8 -66.5 20.9 37.9 66 66 A L I <5S- 0 0 0 -4,-1.2 2,-2.7 3,-0.2 14,-0.0 -0.535 114.1 -3.5 -77.5 144.5 -66.7 18.3 35.1 67 67 A V I 4>S+ 0 0 52 1,-0.2 5,-0.6 -2,-0.2 -1,-0.2 -0.284 133.9 58.2 70.0 -54.5 -70.0 18.0 33.2 68 68 A G I 45S+ 0 0 32 -2,-2.7 -1,-0.2 -5,-0.5 -2,-0.2 0.960 126.2 9.9 -68.8 -55.6 -71.6 20.6 35.5 69 69 A E I X>S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 5,-1.1 0.801 114.1 53.6 -68.7 -31.7 -69.6 20.8 29.6 72 72 A D H 4 - 0 0 18 -3,-0.3 4,-1.1 1,-0.1 -1,-0.4 -0.981 52.3 -71.1 171.3-174.0 -51.9 1.1 34.9 89 89 A T H > S+ 0 0 63 -2,-0.3 4,-1.5 2,-0.2 97,-0.2 0.787 123.5 56.6 -75.1 -30.3 -52.4 3.3 31.9 90 90 A G H > S+ 0 0 0 95,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.833 108.2 46.7 -69.4 -35.4 -53.6 0.4 29.7 91 91 A H H > S+ 0 0 38 94,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.802 108.1 57.2 -74.3 -32.1 -56.3 -0.4 32.2 92 92 A A H X S+ 0 0 6 -4,-1.1 4,-0.8 2,-0.2 -2,-0.2 0.852 107.2 47.0 -67.7 -37.6 -57.3 3.2 32.4 93 93 A V H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.849 108.8 55.8 -70.7 -36.1 -57.9 3.4 28.6 94 94 A L H X S+ 0 0 74 -4,-1.2 4,-0.5 1,-0.2 -2,-0.2 0.830 106.0 51.0 -63.7 -34.7 -59.9 0.2 28.8 95 95 A C H < S+ 0 0 13 -4,-1.5 4,-0.4 1,-0.2 -13,-0.3 0.730 107.7 54.0 -73.0 -25.1 -62.2 1.9 31.4 96 96 A G H >X S+ 0 0 0 -4,-0.8 4,-0.5 1,-0.2 3,-0.5 0.780 103.5 55.6 -76.2 -30.0 -62.6 4.8 29.0 97 97 A L H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.646 91.8 73.4 -76.3 -17.4 -63.7 2.4 26.2 98 98 A S T 3< S+ 0 0 87 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.810 94.4 51.4 -67.4 -32.4 -66.5 1.1 28.5 99 99 A A T <4 S+ 0 0 42 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.784 98.9 82.1 -73.5 -30.0 -68.5 4.3 28.1 100 100 A L S < S- 0 0 4 -4,-0.5 4,-0.0 1,-0.1 -92,-0.0 -0.481 95.7 -98.3 -72.1 145.4 -68.1 4.0 24.3 101 101 A P > - 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0 0 3 -3,-0.7 -75,-0.2 95,-0.2 2,-0.1 -0.542 49.4-172.6 -68.0 111.6 -51.4 20.9 25.2 119 119 A D > - 0 0 49 -2,-0.6 4,-1.1 -76,-0.1 3,-0.2 -0.328 38.3 -96.5-100.1-178.2 -53.3 23.0 22.6 120 120 A A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.809 117.0 61.3 -69.1 -32.8 -55.7 22.2 19.8 121 121 A D H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.841 104.0 48.0 -65.4 -37.1 -53.0 22.5 17.1 122 122 A T H > S+ 0 0 7 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.854 114.7 46.4 -71.2 -36.9 -50.9 19.6 18.6 123 123 A L H X S+ 0 0 5 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.825 111.3 51.9 -73.2 -34.3 -54.0 17.4 18.8 124 124 A A H X S+ 0 0 27 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.825 108.1 51.7 -70.8 -34.2 -55.0 18.3 15.3 125 125 A D H X S+ 0 0 97 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.798 106.5 55.2 -71.0 -31.2 -51.6 17.4 13.9 126 126 A L H X S+ 0 0 0 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.903 110.6 43.3 -67.4 -44.4 -51.8 14.0 15.7 127 127 A I H X S+ 0 0 10 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.861 113.1 52.5 -70.3 -37.7 -55.1 13.1 14.0 128 128 A A H X S+ 0 0 61 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.838 111.7 45.9 -66.6 -35.7 -53.9 14.3 10.6 129 129 A T H X S+ 0 0 34 -4,-1.6 4,-1.3 2,-0.2 6,-0.3 0.817 110.3 55.5 -73.4 -33.4 -50.7 12.2 10.9 130 130 A H H <>S+ 0 0 7 -4,-1.6 5,-0.8 1,-0.2 4,-0.5 0.843 110.5 43.8 -67.4 -36.9 -52.9 9.2 12.0 131 131 A R H <5S+ 0 0 139 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.765 106.6 62.2 -79.3 -28.3 -55.1 9.4 8.9 132 132 A A H <5S+ 0 0 80 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.944 115.8 26.1 -66.5 -53.5 -52.2 9.9 6.4 133 133 A V T <5S- 0 0 63 -4,-1.3 -1,-0.2 2,-0.0 -2,-0.1 0.522 99.6-131.0 -88.3 -7.4 -50.3 6.7 6.9 134 134 A S T 5 + 0 0 98 -4,-0.5 66,-0.2 -5,-0.2 -3,-0.2 0.870 45.0 174.7 55.5 42.7 -53.5 4.8 8.1 135 135 A A < - 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