==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 10-APR-09 2KHR . COMPND 2 MOLECULE: PROTEIN MBTH; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.W.BUCHKO,C.Y.KIM,T.C.TERWILLIGER,SEATTLE STRUCTURAL GENOMI . 74 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 52.7 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 . 11 14.9 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 . 1 1.4 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 . 14 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 14.9 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 1 0 0 0 0 0 0 0 0 0 0 0 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 . 0 0 0 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 0 0 ANTIPARALLEL 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 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 G 0 0 136 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-110.6 0.9 0.6 -2.1 2 2 A S + 0 0 124 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.898 360.0 179.1-109.5 130.2 3.5 1.9 -4.6 3 3 A H + 0 0 172 -2,-0.5 2,-0.5 2,-0.0 -1,-0.1 0.283 39.3 135.3-106.1 7.3 5.0 5.4 -4.3 4 4 A M - 0 0 148 1,-0.1 2,-1.1 2,-0.0 3,-0.2 -0.420 41.6-160.7 -60.0 107.0 7.1 4.8 -7.4 5 5 A S + 0 0 84 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 -0.755 27.7 156.3 -95.9 88.8 6.7 7.9 -9.5 6 6 A T S S+ 0 0 110 -2,-1.1 -1,-0.2 1,-0.3 3,-0.2 0.808 71.3 43.3 -83.1 -32.3 7.8 6.9 -12.9 7 7 A N + 0 0 142 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 -0.874 55.7 149.3-117.8 99.2 5.8 9.6 -14.7 8 8 A P + 0 0 84 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.561 65.8 70.3 -94.3 -14.5 6.2 13.0 -13.0 9 9 A F + 0 0 92 1,-0.2 3,-0.1 -3,-0.2 -3,-0.0 -0.871 49.6 164.9-110.8 99.1 5.8 14.9 -16.2 10 10 A D S S- 0 0 166 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.950 74.9 -19.5 -74.2 -52.6 2.3 14.7 -17.6 11 11 A D - 0 0 137 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 -0.975 68.3-110.6-157.4 144.3 2.7 17.5 -20.1 12 12 A D + 0 0 71 -2,-0.3 4,-0.1 1,-0.2 3,-0.0 -0.687 41.3 164.8 -84.1 119.2 5.2 20.4 -20.5 13 13 A N - 0 0 133 -2,-0.6 -1,-0.2 2,-0.2 3,-0.1 0.914 50.7 -22.5-100.2 -66.4 3.4 23.7 -19.9 14 14 A G S S- 0 0 32 1,-0.4 18,-0.1 17,-0.0 17,-0.0 -0.029 95.4 -6.9-125.8-137.4 5.7 26.7 -19.3 15 15 A A - 0 0 37 16,-0.4 16,-2.5 15,-0.1 -1,-0.4 -0.063 55.9-162.8 -64.5 167.4 9.2 27.6 -18.2 16 16 A F E -A 30 0A 23 14,-0.3 30,-0.3 -3,-0.1 2,-0.3 -0.993 7.4-153.9-154.7 146.6 11.7 25.0 -16.8 17 17 A F E -A 29 0A 61 12,-3.0 12,-3.1 -2,-0.3 2,-1.0 -0.862 28.4-113.9-120.7 158.2 15.0 24.9 -14.9 18 18 A V E +AB 28 43A 2 25,-3.0 24,-2.8 -2,-0.3 25,-1.0 -0.807 47.8 177.8 -90.4 98.8 17.8 22.5 -14.7 19 19 A L E +AB 27 41A 16 8,-1.8 8,-0.6 -2,-1.0 2,-0.4 -0.901 13.2 177.3-113.5 128.3 17.4 21.3 -11.1 20 20 A V E - B 0 40A 24 20,-2.5 20,-1.1 -2,-0.5 2,-0.2 -0.997 9.0-162.7-129.1 130.4 19.5 18.6 -9.4 21 21 A N E > - B 0 39A 65 -2,-0.4 3,-2.1 18,-0.2 18,-0.2 -0.596 39.6 -97.1-105.1 173.2 19.2 17.6 -5.8 22 22 A D T 3 S+ 0 0 144 16,-1.9 17,-0.1 1,-0.3 16,-0.1 0.755 126.2 44.1 -63.2 -24.5 21.7 15.6 -3.6 23 23 A E T 3 S+ 0 0 171 15,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.256 109.4 71.8-101.8 10.8 19.9 12.4 -4.3 24 24 A D < - 0 0 54 -3,-2.1 -4,-0.1 1,-0.1 3,-0.1 -0.461 60.2-154.1-116.0-174.4 19.5 13.1 -8.1 25 25 A Q S S- 0 0 101 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.583 75.6 -19.2-129.5 -50.0 21.7 13.2 -11.1 26 26 A H + 0 0 35 -7,-0.0 2,-0.3 2,-0.0 -6,-0.2 -0.801 66.2 167.8-165.6 127.8 20.1 15.5 -13.6 27 27 A S E -A 19 0A 38 -8,-0.6 -8,-1.8 -2,-0.2 2,-0.7 -0.995 31.3-135.2-145.0 145.2 16.5 16.7 -13.9 28 28 A L E -A 18 0A 12 -2,-0.3 -10,-0.2 -10,-0.2 -2,-0.0 -0.911 26.4-161.9 -98.5 116.0 14.4 19.3 -15.7 29 29 A W E -A 17 0A 74 -12,-3.1 -12,-3.0 -2,-0.7 2,-0.2 -0.886 14.8-130.2-107.5 116.0 12.1 21.0 -13.2 30 30 A P E > -A 16 0A 29 0, 0.0 2,-2.3 0, 0.0 3,-1.6 -0.410 18.2-123.1 -65.1 132.0 9.1 22.9 -14.7 31 31 A V T 3 S+ 0 0 78 -16,-2.5 -16,-0.4 1,-0.2 3,-0.1 -0.521 100.5 71.1 -76.0 77.8 8.6 26.4 -13.3 32 32 A F T 3 S+ 0 0 178 -2,-2.3 -1,-0.2 1,-0.5 2,-0.2 0.224 86.5 64.3-161.5 -33.1 5.1 25.6 -12.1 33 33 A A S < S- 0 0 52 -3,-1.6 -1,-0.5 1,-0.0 2,-0.3 -0.613 91.6-102.1 -94.9 163.7 5.8 23.3 -9.2 34 34 A D - 0 0 129 -2,-0.2 -1,-0.0 -3,-0.1 -3,-0.0 -0.654 26.3-123.8 -92.3 143.6 7.6 24.5 -6.1 35 35 A I - 0 0 64 -2,-0.3 4,-0.0 1,-0.2 -1,-0.0 -0.757 28.0-165.5 -87.0 124.7 11.3 23.7 -5.4 36 36 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.845 33.5 -62.5 -78.7-106.2 11.8 21.9 -2.0 37 37 A A S S+ 0 0 80 1,-0.1 3,-0.1 3,-0.0 -16,-0.0 -0.958 99.8 44.7-150.0 160.4 15.2 21.6 -0.4 38 38 A G S S+ 0 0 54 -2,-0.3 -16,-1.9 1,-0.2 -15,-0.2 0.798 85.1 134.4 73.8 29.6 18.6 20.0 -0.9 39 39 A W E -B 21 0A 115 -18,-0.2 2,-0.3 -3,-0.1 -18,-0.2 -0.493 43.2-155.3-110.0 174.7 18.7 21.2 -4.5 40 40 A R E -B 20 0A 146 -20,-1.1 -20,-2.5 -2,-0.2 2,-0.6 -0.955 15.7-135.0-153.5 128.0 21.1 22.9 -6.9 41 41 A V E +B 19 0A 51 -2,-0.3 -22,-0.2 -22,-0.2 3,-0.1 -0.785 24.1 172.0 -88.6 119.0 20.4 25.0 -9.9 42 42 A V E S- 0 0 62 -24,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.719 71.3 -2.5 -95.2 -26.5 22.7 24.0 -12.8 43 43 A H E -B 18 0A 75 -25,-1.0 -25,-3.0 3,-0.0 -1,-0.4 -0.959 69.0-129.7-165.1 144.8 20.9 26.2 -15.4 44 44 A G - 0 0 24 -2,-0.3 2,-1.1 -27,-0.2 -26,-0.0 -0.003 57.2 -46.5 -87.3-164.5 17.9 28.6 -15.6 45 45 A E S S+ 0 0 126 -28,-0.1 2,-0.3 -30,-0.0 -28,-0.1 -0.528 78.7 136.5 -74.2 98.7 15.0 28.8 -18.0 46 46 A A - 0 0 40 -2,-1.1 5,-0.3 -30,-0.3 -30,-0.1 -0.913 64.9 -38.4-134.4 166.0 16.5 28.5 -21.5 47 47 A S > - 0 0 89 -2,-0.3 4,-2.4 3,-0.1 3,-0.5 0.210 53.0-133.7 -30.9 128.3 15.3 26.6 -24.6 48 48 A R H > S+ 0 0 74 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.896 106.3 51.6 -54.3 -46.9 14.0 23.1 -23.6 49 49 A A H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.842 111.3 49.0 -60.6 -34.0 16.0 21.4 -26.3 50 50 A A H > S+ 0 0 48 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.870 111.6 47.1 -75.6 -39.5 19.1 23.1 -25.1 51 51 A C H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.920 115.3 45.8 -68.5 -44.4 18.6 22.2 -21.5 52 52 A L H X S+ 0 0 58 -4,-2.8 4,-2.4 -5,-0.2 5,-0.3 0.935 114.4 49.3 -61.8 -46.2 17.9 18.6 -22.3 53 53 A D H X S+ 0 0 89 -4,-2.2 4,-2.9 -5,-0.3 -2,-0.2 0.965 112.1 48.4 -55.8 -53.3 20.9 18.6 -24.7 54 54 A Y H X S+ 0 0 40 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.912 113.8 44.9 -54.8 -51.0 23.1 20.1 -22.0 55 55 A V H X S+ 0 0 4 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.878 115.8 47.1 -65.7 -37.6 22.1 17.7 -19.2 56 56 A E H X S+ 0 0 88 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.850 109.6 54.6 -72.5 -34.3 22.3 14.7 -21.5 57 57 A K H X S+ 0 0 109 -4,-2.9 4,-3.9 -5,-0.3 3,-0.3 0.949 111.5 44.3 -58.7 -49.2 25.7 15.9 -22.7 58 58 A N H < S+ 0 0 31 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.818 109.9 55.7 -68.0 -31.5 26.9 16.0 -19.1 59 59 A W H < S+ 0 0 143 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.814 117.8 35.8 -69.3 -29.5 25.4 12.6 -18.4 60 60 A T H < S+ 0 0 119 -4,-1.5 2,-0.5 -3,-0.3 -2,-0.2 0.894 130.9 28.3 -86.9 -48.9 27.3 11.2 -21.3 61 61 A D S < S- 0 0 68 -4,-3.9 2,-2.3 -5,-0.2 -1,-0.3 -0.955 78.8-139.0-121.0 112.9 30.5 13.2 -20.9 62 62 A L + 0 0 138 -2,-0.5 -4,-0.1 -3,-0.2 -3,-0.1 -0.455 64.5 112.7 -76.4 76.2 31.3 14.4 -17.4 63 63 A R - 0 0 172 -2,-2.3 2,-0.1 -6,-0.1 -2,-0.1 -0.734 52.8-153.6-147.7 93.5 32.5 17.9 -18.2 64 64 A P - 0 0 78 0, 0.0 2,-2.0 0, 0.0 3,-0.2 -0.423 27.0-113.7 -68.7 142.8 30.3 20.8 -16.9 65 65 A K S S- 0 0 151 1,-0.2 -11,-0.0 -2,-0.1 -7,-0.0 -0.514 79.8 -46.2 -83.2 76.7 30.4 24.0 -18.9 66 66 A S - 0 0 85 -2,-2.0 -1,-0.2 1,-0.1 -3,-0.0 0.937 52.7-171.4 65.2 100.7 32.0 26.3 -16.3 67 67 A L S S+ 0 0 131 -3,-0.2 2,-0.3 3,-0.0 3,-0.2 0.585 72.2 73.8 -92.3 -14.4 30.5 26.0 -12.8 68 68 A R S S+ 0 0 204 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.748 93.4 24.9 -98.0 149.0 32.5 29.0 -11.7 69 69 A D S S+ 0 0 144 -2,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.999 78.3 119.2 61.1 72.2 31.8 32.5 -12.8 70 70 A A S S+ 0 0 91 1,-0.5 2,-0.3 -3,-0.2 -2,-0.1 0.426 73.6 31.3-135.1 -19.8 28.0 32.3 -13.5 71 71 A M S S- 0 0 143 2,-0.0 2,-0.9 0, 0.0 -1,-0.5 -0.995 77.7-123.8-143.8 143.9 26.6 34.7 -11.0 72 72 A V - 0 0 127 -2,-0.3 2,-1.9 -3,-0.1 0, 0.0 -0.771 14.3-161.2 -96.5 102.4 28.1 37.9 -9.6 73 73 A E 0 0 189 -2,-0.9 -1,-0.1 1,-0.0 -2,-0.0 -0.588 360.0 360.0 -79.1 80.8 28.2 37.9 -5.8 74 74 A D 0 0 208 -2,-1.9 -2,-0.1 0, 0.0 -1,-0.0 -0.764 360.0 360.0-153.7 360.0 28.6 41.7 -5.5