==== 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 ISOMERASE 18-JUN-07 2QBV . COMPND 2 MOLECULE: CHORISMATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.E.LADNER,P.T.REDDY,S.K.KIM,S.-K.REDDY,B.C.NELSON . 73 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 82.2 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 . 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 . 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 . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 4.1 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 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 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 28 A E > 0 0 156 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -50.6 35.5 53.9 42.9 2 29 A I H > + 0 0 107 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.922 360.0 54.3 -59.8 -39.5 32.8 51.6 41.3 3 30 A D H > S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 109.9 45.0 -50.6 -47.1 32.5 54.4 38.6 4 31 A T H > S+ 0 0 66 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.848 112.1 51.8 -75.4 -35.6 36.3 54.3 38.0 5 32 A L H X S+ 0 0 90 -4,-2.5 4,-2.2 2,-0.2 3,-0.3 0.932 109.8 48.9 -62.7 -47.4 36.3 50.5 37.8 6 33 A R H X S+ 0 0 170 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.863 109.3 54.0 -59.4 -38.1 33.4 50.5 35.3 7 34 A E H X S+ 0 0 102 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.817 106.8 51.1 -61.7 -34.3 35.4 53.1 33.3 8 35 A E H X S+ 0 0 86 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.2 0.866 107.6 52.4 -75.9 -36.6 38.3 50.7 33.3 9 36 A I H X S+ 0 0 91 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.940 106.2 54.6 -60.1 -44.2 36.0 47.9 32.0 10 37 A D H X S+ 0 0 107 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.871 109.7 46.6 -54.4 -39.2 34.9 50.3 29.2 11 38 A R H X S+ 0 0 139 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.911 112.0 49.7 -68.3 -47.5 38.6 50.8 28.2 12 39 A L H X S+ 0 0 79 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.900 111.6 50.1 -59.2 -42.0 39.4 47.0 28.3 13 40 A D H X S+ 0 0 91 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.884 108.5 51.0 -65.8 -41.7 36.3 46.3 26.1 14 41 A A H X S+ 0 0 60 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.923 114.3 44.4 -58.3 -43.8 37.4 48.8 23.6 15 42 A E H X S+ 0 0 126 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 114.5 48.4 -65.1 -45.2 40.9 47.3 23.4 16 43 A I H X S+ 0 0 95 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.952 111.3 50.6 -64.3 -46.1 39.5 43.7 23.3 17 44 A L H X S+ 0 0 101 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.924 110.8 48.1 -60.7 -47.7 37.0 44.6 20.5 18 45 A A H X S+ 0 0 54 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.903 115.0 46.4 -51.9 -50.2 39.8 46.3 18.4 19 46 A L H X S+ 0 0 111 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.876 113.0 48.8 -65.0 -40.8 42.1 43.2 18.8 20 47 A V H X S+ 0 0 38 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.879 109.4 51.4 -66.9 -44.1 39.4 40.7 18.1 21 48 A K H X S+ 0 0 134 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.943 114.3 45.2 -54.2 -50.1 38.3 42.5 14.9 22 49 A R H X S+ 0 0 167 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.857 108.7 54.7 -64.4 -40.1 41.9 42.5 13.8 23 50 A R H X S+ 0 0 62 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.898 107.5 52.4 -59.6 -40.5 42.5 38.8 14.7 24 51 A A H X S+ 0 0 11 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 110.4 47.2 -63.3 -40.8 39.4 37.9 12.5 25 52 A E H X S+ 0 0 121 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.901 113.8 46.3 -68.1 -43.6 40.9 39.8 9.6 26 53 A V H X S+ 0 0 63 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.914 113.4 51.3 -60.7 -41.0 44.4 38.2 10.0 27 54 A S H X S+ 0 0 27 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.895 109.4 48.5 -65.7 -44.7 42.7 34.7 10.3 28 55 A K H X S+ 0 0 57 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.818 110.0 53.2 -63.2 -35.3 40.6 35.2 7.2 29 56 A A H X S+ 0 0 61 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.934 110.9 46.5 -61.4 -48.2 43.8 36.3 5.3 30 57 A I H X S+ 0 0 103 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.873 112.8 50.0 -58.7 -41.9 45.6 33.1 6.5 31 58 A G H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.846 109.7 50.5 -72.2 -36.2 42.6 31.0 5.5 32 59 A K H X S+ 0 0 130 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.962 112.0 46.5 -61.1 -54.1 42.4 32.5 2.0 33 60 A A H < S+ 0 0 66 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.829 115.6 48.7 -56.7 -33.2 46.2 31.9 1.4 34 61 A R H ><>S+ 0 0 68 -4,-1.7 5,-1.9 -5,-0.2 3,-0.8 0.902 111.2 46.8 -78.0 -37.8 45.7 28.3 2.7 35 62 A M H ><5S+ 0 0 117 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.753 106.5 59.0 -73.8 -24.3 42.6 27.6 0.6 36 63 A A T 3<5S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.556 111.8 42.2 -72.8 -17.3 44.4 29.0 -2.5 37 64 A S T < 5S- 0 0 101 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.235 109.3-126.3-103.6 3.4 47.1 26.4 -1.9 38 65 A G T < 5 + 0 0 69 -3,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.686 53.4 167.6 50.0 20.9 44.5 23.6 -1.1 39 66 A G < - 0 0 31 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.2 -0.220 39.5-101.8 -62.4 150.4 46.5 23.2 2.2 40 67 A T - 0 0 123 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.569 37.3-111.6 -80.0 135.9 45.2 21.2 5.2 41 68 A R - 0 0 132 -2,-0.3 2,-1.3 1,-0.1 3,-0.3 -0.368 21.4-126.6 -68.8 143.5 43.8 23.1 8.1 42 69 A L > + 0 0 100 1,-0.2 5,-2.4 2,-0.1 6,-0.3 -0.389 57.7 141.6 -91.9 62.1 45.9 22.9 11.2 43 70 A V T > + 0 0 37 -2,-1.3 5,-0.7 1,-0.2 -1,-0.2 0.940 69.7 38.0 -70.8 -50.4 43.1 21.7 13.4 44 71 A H T 5S+ 0 0 169 -3,-0.3 -1,-0.2 3,-0.2 -2,-0.1 0.731 129.6 27.9 -79.2 -23.0 44.9 19.2 15.6 45 72 A S T >5S+ 0 0 53 3,-0.1 4,-2.0 4,-0.0 5,-0.2 0.822 128.8 24.9 -98.9 -83.0 48.1 21.1 16.0 46 73 A R H >5S+ 0 0 139 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.928 124.0 47.1 -52.7 -56.2 47.8 24.9 15.7 47 74 A E H >< S+ 0 0 131 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.914 112.9 43.1 -58.0 -42.0 46.7 29.1 25.6 54 81 A Y H >< S+ 0 0 75 -4,-1.5 3,-2.0 1,-0.2 -1,-0.2 0.728 95.6 80.3 -76.8 -15.8 43.1 30.4 26.4 55 82 A S G >< S+ 0 0 51 -4,-1.4 3,-1.8 -3,-0.4 -1,-0.2 0.623 71.4 80.0 -66.4 -20.8 42.4 27.4 28.7 56 83 A E G < S+ 0 0 175 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.1 0.601 87.1 59.4 -61.2 -16.6 44.4 29.2 31.5 57 84 A L G < S- 0 0 116 -3,-2.0 3,-0.3 1,-0.4 -1,-0.3 0.424 118.9-111.1 -82.9 -2.7 41.2 31.3 32.1 58 85 A G <> - 0 0 26 -3,-1.8 4,-1.0 1,-0.2 -1,-0.4 -0.692 59.3 -33.9 101.4-169.6 39.3 28.1 32.8 59 86 A P H > S+ 0 0 107 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.751 136.7 57.8 -56.2 -36.8 36.5 26.3 30.7 60 87 A D H > S+ 0 0 129 -3,-0.3 4,-1.9 1,-0.2 -2,-0.1 0.814 100.1 60.7 -72.2 -24.0 35.2 29.6 29.5 61 88 A G H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -6,-0.2 0.888 102.6 49.1 -66.3 -42.1 38.7 30.2 28.2 62 89 A K H X S+ 0 0 99 -4,-1.0 4,-2.3 -7,-0.2 -1,-0.2 0.915 112.4 48.4 -62.6 -39.7 38.5 27.2 25.9 63 90 A D H X S+ 0 0 85 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.839 109.2 54.1 -67.6 -34.0 35.0 28.4 24.7 64 91 A L H X S+ 0 0 69 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.938 108.7 47.6 -61.4 -52.9 36.5 31.9 24.1 65 92 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.906 109.9 54.5 -55.2 -43.7 39.3 30.3 21.9 66 93 A I H X S+ 0 0 66 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.929 109.4 46.2 -57.5 -46.8 36.6 28.4 20.1 67 94 A L H X S+ 0 0 100 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.912 110.8 52.3 -58.7 -48.5 34.7 31.7 19.3 68 95 A L H X S+ 0 0 10 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.939 110.8 48.7 -54.8 -46.7 37.9 33.4 18.2 69 96 A L H < S+ 0 0 37 -4,-2.9 3,-0.3 2,-0.2 -2,-0.2 0.958 112.9 46.5 -57.4 -48.3 38.4 30.4 15.9 70 97 A R H >< S+ 0 0 205 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.865 109.9 55.7 -58.4 -40.1 34.8 30.7 14.5 71 98 A L H 3< S+ 0 0 89 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.850 100.2 58.6 -65.0 -35.0 35.2 34.4 14.1 72 99 A G T 3< 0 0 8 -4,-1.8 -1,-0.3 -3,-0.3 -41,-0.2 0.098 360.0 360.0 -82.3 27.2 38.3 33.9 11.9 73 100 A R < 0 0 232 -3,-1.2 -1,-0.2 -42,-0.0 -45,-0.1 -0.286 360.0 360.0 45.1 360.0 36.2 31.9 9.4