==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 20-DEC-07 2VKL . COMPND 2 MOLECULE: RV0948C/MT0975; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.OKVIST,K.RODERER,S.SASSO,P.KAST,U.KRENGEL . 77 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 83.1 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.9 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 1 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 13 A E > 0 0 160 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 135.4 -3.1 -24.7 18.5 2 14 A I H > + 0 0 95 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.873 360.0 53.0 -63.1 -38.1 -1.3 -22.0 16.5 3 15 A D H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.860 106.2 54.1 -72.3 -30.1 -0.4 -24.2 13.6 4 16 A T H > S+ 0 0 78 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.895 106.9 51.6 -66.4 -40.0 -4.1 -25.2 13.3 5 17 A L H X S+ 0 0 120 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.884 108.0 53.1 -58.8 -41.0 -5.0 -21.4 13.1 6 18 A R H X S+ 0 0 141 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.912 103.6 55.6 -65.7 -39.5 -2.4 -21.1 10.3 7 19 A E H X S+ 0 0 96 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.922 108.2 49.2 -58.4 -39.3 -4.1 -23.9 8.4 8 20 A E H X S+ 0 0 91 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.880 105.1 57.0 -68.7 -38.7 -7.3 -21.9 8.6 9 21 A I H X S+ 0 0 89 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.939 106.4 51.3 -54.2 -43.8 -5.5 -18.8 7.3 10 22 A D H X S+ 0 0 107 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.886 110.1 47.8 -66.2 -36.1 -4.5 -20.8 4.3 11 23 A R H X S+ 0 0 137 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.935 111.6 50.1 -68.2 -44.1 -8.0 -21.9 3.6 12 24 A L H X S+ 0 0 83 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.908 108.0 54.4 -59.4 -41.6 -9.3 -18.3 4.1 13 25 A D H X S+ 0 0 86 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.890 103.9 55.2 -62.8 -37.3 -6.7 -17.1 1.6 14 26 A A H X S+ 0 0 61 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.925 112.5 42.4 -56.7 -45.9 -8.0 -19.6 -1.0 15 27 A E H X S+ 0 0 127 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.912 115.8 48.9 -66.9 -47.0 -11.5 -18.1 -0.7 16 28 A I H X S+ 0 0 88 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.948 110.8 49.7 -61.9 -49.9 -10.2 -14.5 -0.7 17 29 A L H X S+ 0 0 97 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.911 109.5 51.8 -53.6 -47.5 -8.0 -15.1 -3.7 18 30 A A H X S+ 0 0 58 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.947 114.7 43.2 -54.7 -46.5 -10.9 -16.7 -5.7 19 31 A L H X S+ 0 0 118 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.885 112.1 51.9 -69.1 -42.1 -13.1 -13.7 -4.9 20 32 A V H X S+ 0 0 39 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.898 108.5 52.3 -64.1 -39.3 -10.4 -11.1 -5.6 21 33 A K H X S+ 0 0 125 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.927 112.1 45.3 -59.7 -47.4 -9.8 -12.7 -9.0 22 34 A R H X S+ 0 0 160 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.926 113.0 50.7 -62.2 -47.6 -13.5 -12.5 -9.8 23 35 A R H X S+ 0 0 64 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.918 108.5 51.8 -56.5 -44.1 -13.6 -8.9 -8.5 24 36 A A H X S+ 0 0 13 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.916 110.2 50.0 -60.8 -41.8 -10.6 -7.9 -10.7 25 37 A E H X S+ 0 0 98 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.907 113.2 44.6 -62.7 -44.1 -12.3 -9.4 -13.8 26 38 A V H X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.934 114.0 50.6 -67.4 -45.1 -15.5 -7.5 -13.1 27 39 A S H X S+ 0 0 23 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.895 109.5 50.2 -56.0 -45.6 -13.6 -4.3 -12.4 28 40 A K H X S+ 0 0 67 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.889 109.3 52.1 -63.0 -39.5 -11.6 -4.6 -15.6 29 41 A A H X S+ 0 0 56 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.874 110.0 48.5 -65.3 -42.1 -14.8 -5.1 -17.6 30 42 A I H X S+ 0 0 96 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.935 110.6 51.4 -60.1 -47.8 -16.3 -1.9 -16.0 31 43 A G H X S+ 0 0 18 -4,-2.4 4,-2.6 41,-0.2 -2,-0.2 0.925 112.4 45.7 -55.9 -47.9 -13.1 0.0 -16.9 32 44 A K H X S+ 0 0 145 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.922 113.3 48.4 -62.7 -47.5 -13.2 -1.1 -20.5 33 45 A A H X S+ 0 0 58 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.863 113.0 49.6 -60.3 -40.1 -16.9 -0.4 -20.9 34 46 A R H >X>S+ 0 0 62 -4,-2.6 5,-3.3 2,-0.2 4,-0.7 0.936 113.0 44.3 -66.6 -49.9 -16.4 3.1 -19.3 35 47 A M H ><5S+ 0 0 140 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.882 109.6 57.6 -65.3 -33.4 -13.5 4.0 -21.6 36 48 A A H 3<5S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.770 115.1 38.2 -63.8 -26.6 -15.4 2.6 -24.6 37 49 A S H <<5S- 0 0 106 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.475 111.7-117.5 -97.5 -7.6 -18.2 5.1 -23.8 38 50 A G T <<5 + 0 0 65 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.822 55.9 174.9 62.7 33.6 -15.9 7.9 -22.7 39 51 A G < - 0 0 30 -5,-3.3 2,-0.2 -6,-0.2 -1,-0.2 -0.372 32.8-107.4 -75.5 148.1 -17.6 7.6 -19.3 40 52 A T - 0 0 119 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.521 31.6-113.0 -80.2 138.3 -16.4 9.6 -16.4 41 53 A R - 0 0 96 -2,-0.2 2,-1.2 1,-0.1 3,-0.3 -0.533 21.0-137.5 -69.4 133.8 -14.5 7.9 -13.6 42 54 A L > + 0 0 88 -2,-0.3 5,-3.0 1,-0.2 6,-0.4 -0.417 52.1 138.9 -92.9 58.4 -16.5 7.8 -10.4 43 55 A V T >S+ 0 0 47 -2,-1.2 5,-1.2 1,-0.2 -1,-0.2 0.953 70.7 42.2 -66.7 -50.6 -13.7 8.7 -7.9 44 56 A H T 5S+ 0 0 173 -3,-0.3 -1,-0.2 3,-0.2 -2,-0.1 0.694 128.3 24.4 -75.1 -21.5 -15.5 11.1 -5.6 45 57 A S T >5S+ 0 0 71 3,-0.1 4,-2.3 4,-0.0 5,-0.2 0.692 130.4 21.2-106.4 -85.7 -18.7 9.1 -5.4 46 58 A R H >5S+ 0 0 126 1,-0.2 4,-2.2 2,-0.2 -3,-0.2 0.888 125.5 46.4 -61.9 -49.5 -18.5 5.4 -6.0 47 59 A E H >< S+ 0 0 174 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.940 111.5 40.6 -62.7 -48.4 -17.0 0.4 3.1 54 66 A Y H >< S+ 0 0 73 -4,-1.9 3,-2.5 1,-0.3 -1,-0.2 0.697 93.8 84.8 -74.9 -19.5 -13.7 -1.2 3.9 55 67 A S H >< + 0 0 63 -4,-1.4 3,-2.9 1,-0.3 -1,-0.3 0.733 68.5 83.9 -54.2 -25.2 -12.8 1.6 6.3 56 68 A E T << S+ 0 0 175 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.808 87.0 54.8 -41.6 -35.0 -14.8 -0.6 8.8 57 69 A L T < S- 0 0 117 -3,-2.5 3,-0.4 1,-0.3 -1,-0.3 0.300 118.4-113.3 -84.6 5.8 -11.4 -2.4 9.2 58 70 A G X> - 0 0 27 -3,-2.9 3,-1.4 1,-0.2 4,-1.2 -0.362 62.0 -30.9 85.6-168.6 -9.6 0.8 10.1 59 71 A P H 3> S+ 0 0 112 0, 0.0 4,-1.5 0, 0.0 3,-0.2 0.827 136.2 57.8 -55.2 -34.7 -6.9 2.6 8.1 60 72 A D H 3> S+ 0 0 128 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.800 99.8 60.2 -69.0 -25.3 -5.6 -0.7 6.6 61 73 A G H <> S+ 0 0 1 -3,-1.4 4,-2.7 2,-0.2 -6,-0.3 0.867 101.0 53.9 -65.5 -37.6 -9.1 -1.3 5.2 62 74 A K H X S+ 0 0 112 -4,-1.2 4,-2.4 -3,-0.2 -2,-0.2 0.950 109.5 47.5 -59.0 -46.9 -8.8 2.0 3.3 63 75 A D H X S+ 0 0 98 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.909 109.0 54.5 -62.9 -39.5 -5.6 0.7 1.8 64 76 A L H X S+ 0 0 71 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.958 108.9 48.2 -58.1 -50.7 -7.3 -2.7 1.0 65 77 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.929 110.5 51.7 -53.0 -47.5 -10.0 -0.8 -1.0 66 78 A I H X S+ 0 0 44 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.939 110.5 48.5 -56.5 -45.7 -7.4 1.2 -2.8 67 79 A L H X S+ 0 0 79 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.912 110.0 51.1 -63.4 -44.4 -5.6 -2.0 -3.8 68 80 A L H X S+ 0 0 9 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.922 111.0 48.8 -62.0 -40.6 -8.8 -3.7 -5.0 69 81 A L H >< S+ 0 0 24 -4,-2.7 3,-0.8 -5,-0.2 4,-0.3 0.926 110.1 52.3 -61.6 -42.6 -9.6 -0.6 -7.1 70 82 A R H >< S+ 0 0 152 -4,-2.4 3,-1.9 1,-0.3 4,-0.4 0.877 100.7 60.6 -59.8 -40.6 -6.0 -0.8 -8.5 71 83 A L H 3< S+ 0 0 69 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.804 103.1 54.4 -58.9 -27.7 -6.4 -4.5 -9.5 72 84 A G T << S+ 0 0 7 -4,-0.9 -1,-0.3 -3,-0.8 -41,-0.2 0.613 96.6 68.0 -77.8 -12.2 -9.3 -3.3 -11.7 73 85 A R S < S- 0 0 116 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.440 96.1-115.9-103.0 0.0 -7.2 -0.7 -13.6 74 86 A G - 0 0 47 -3,-0.5 2,-0.3 -4,-0.4 -1,-0.2 0.124 19.1-143.8 90.4 151.5 -4.7 -2.7 -15.7 75 87 A R - 0 0 238 -4,-0.1 2,-0.2 0, 0.0 -1,-0.0 -0.946 28.9 -96.6-147.8 161.9 -1.0 -3.1 -15.9 76 88 A L 0 0 181 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.583 360.0 360.0 -95.6 147.1 1.4 -3.7 -18.8 77 89 A G 0 0 131 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.458 360.0 360.0-117.8 360.0 2.9 -6.8 -20.3