==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 12-MAR-10 2KVC . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.W.BUCHKO,C.Y.KIM,T.C.TERWILLIGER,SEATTLE STRUCTURAL GENOMI . 103 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 60.2 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 . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 46.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 0 0 0 0 2 0 0 1 1 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 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 1 A G 0 0 123 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 73.7 1.9 1.0 -6.0 2 2 A S - 0 0 123 4,-0.0 2,-0.5 2,-0.0 0, 0.0 -0.838 360.0-170.2-104.3 132.8 5.2 2.5 -4.8 3 3 A H > - 0 0 147 -2,-0.4 4,-0.8 1,-0.1 0, 0.0 -0.986 10.1-160.2-123.9 124.8 7.3 4.8 -6.9 4 4 A M H >> S+ 0 0 169 -2,-0.5 4,-1.1 1,-0.2 3,-0.5 0.886 88.7 53.2 -72.6 -41.1 10.8 5.7 -5.7 5 5 A N H 3> S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.878 101.6 60.4 -64.8 -36.8 11.4 8.9 -7.8 6 6 A R H 3> S+ 0 0 194 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.845 98.8 59.0 -60.0 -34.3 8.1 10.4 -6.6 7 7 A F H < + 0 0 24 -4,-0.7 3,-1.8 -3,-0.4 -1,-0.3 -0.650 61.4 164.5-138.1 79.5 11.7 28.3 2.1 20 20 A P T 3 S+ 0 0 99 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.482 85.5 56.5 -71.9 -1.2 9.8 29.8 -0.9 21 21 A E T 3 S- 0 0 170 1,-0.1 -4,-0.1 -5,-0.1 -5,-0.0 0.354 125.4 -94.9-106.6 -0.5 12.3 32.7 -0.6 22 22 A G < - 0 0 29 -3,-1.8 35,-0.1 -6,-0.3 -1,-0.1 0.325 40.0 -87.6 90.5 135.7 15.3 30.4 -0.9 23 23 A I - 0 0 5 33,-0.2 35,-0.4 -4,-0.2 -4,-0.1 -0.620 38.4-131.9 -78.6 126.1 17.3 28.9 1.9 24 24 A P >> - 0 0 53 0, 0.0 4,-1.3 0, 0.0 3,-1.0 -0.600 27.1-109.6 -74.4 144.2 20.2 31.0 3.2 25 25 A P H 3> S+ 0 0 68 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.679 113.3 62.6 -50.3 -26.3 23.6 29.2 3.5 26 26 A T H 3> S+ 0 0 83 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.963 112.8 31.4 -67.1 -51.6 23.4 29.2 7.3 27 27 A D H <> S+ 0 0 10 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.499 103.2 78.2 -89.3 -2.6 20.2 27.1 7.7 28 28 A S H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.895 97.4 47.3 -63.1 -38.5 21.1 25.2 4.5 29 29 A F H X S+ 0 0 48 -4,-1.0 4,-2.3 -3,-0.4 -2,-0.2 0.821 109.0 54.5 -69.3 -31.1 23.5 23.4 6.9 30 30 A A H X S+ 0 0 0 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.916 106.5 51.1 -65.6 -43.9 20.6 23.1 9.3 31 31 A V H X S+ 0 0 9 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.946 111.3 46.8 -56.9 -50.6 18.5 21.5 6.5 32 32 A L H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.903 111.0 53.1 -60.7 -40.1 21.3 19.0 5.8 33 33 A A H < S+ 0 0 16 -4,-2.3 4,-0.2 2,-0.2 -1,-0.2 0.891 115.4 39.8 -62.5 -42.2 21.6 18.3 9.6 34 34 A L H >< S+ 0 0 16 -4,-2.4 3,-1.5 1,-0.2 4,-0.4 0.938 116.3 49.0 -71.3 -48.1 17.9 17.6 9.9 35 35 A L H >X S+ 0 0 8 -4,-3.2 4,-3.2 1,-0.3 3,-1.7 0.827 99.8 65.8 -64.5 -33.0 17.6 15.6 6.6 36 36 A C T 3< S+ 0 0 42 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.667 91.4 66.1 -64.6 -14.7 20.6 13.4 7.4 37 37 A R T <4 S+ 0 0 181 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.743 116.7 24.3 -78.2 -22.7 18.6 12.0 10.3 38 38 A R T <4 S+ 0 0 103 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.790 126.1 41.9-105.8 -45.1 16.1 10.4 7.8 39 39 A L S < S- 0 0 20 -4,-3.2 -1,-0.2 1,-0.1 54,-0.0 -0.758 86.4-103.5-111.0 151.9 18.1 10.1 4.6 40 40 A S > - 0 0 87 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.264 37.1-107.9 -65.4 158.3 21.7 8.9 4.0 41 41 A H H > S+ 0 0 83 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.808 122.1 50.6 -62.5 -29.0 24.4 11.5 3.2 42 42 A D H > S+ 0 0 88 2,-0.2 4,-2.1 3,-0.2 -1,-0.3 0.851 109.9 50.9 -74.7 -32.6 24.5 10.4 -0.4 43 43 A E H > S+ 0 0 68 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.941 114.2 42.2 -68.6 -46.9 20.7 10.7 -0.6 44 44 A V H X S+ 0 0 4 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.835 112.1 56.4 -68.4 -32.7 20.7 14.2 0.8 45 45 A K H X S+ 0 0 80 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.914 110.4 45.3 -61.1 -42.1 23.7 14.9 -1.5 46 46 A A H X S+ 0 0 38 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.952 114.9 45.0 -66.6 -50.8 21.6 13.9 -4.5 47 47 A V H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.861 114.1 50.4 -65.3 -34.8 18.5 15.8 -3.5 48 48 A A H X S+ 0 0 7 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.930 110.2 50.8 -66.4 -43.9 20.6 18.9 -2.6 49 49 A N H X S+ 0 0 116 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.940 115.1 41.0 -57.6 -50.7 22.3 18.7 -6.0 50 50 A E H X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.830 114.4 52.8 -71.8 -30.6 19.1 18.4 -7.9 51 51 A L H X>S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 5,-0.6 0.887 108.9 49.2 -71.5 -38.3 17.4 21.1 -5.7 52 52 A M H <5S+ 0 0 27 -4,-2.7 5,-0.3 2,-0.2 -2,-0.2 0.870 112.8 48.6 -65.6 -36.7 20.3 23.5 -6.3 53 53 A R H <5S+ 0 0 205 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.859 107.6 55.0 -67.3 -37.2 19.9 22.7 -10.1 54 54 A L H <5S- 0 0 88 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.847 114.2-122.2 -67.6 -32.6 16.1 23.3 -9.7 55 55 A G T <5S+ 0 0 45 -4,-1.8 2,-1.1 -5,-0.1 -3,-0.2 0.073 83.8 108.0 118.3 -22.7 16.9 26.7 -8.3 56 56 A D S + 0 0 114 -2,-0.2 4,-0.7 1,-0.2 -2,-0.1 -0.865 48.4 154.4-112.6 97.4 28.5 22.8 -1.0 62 62 A I H > S+ 0 0 6 -2,-0.7 4,-2.4 2,-0.2 5,-0.3 0.808 72.8 65.0 -84.6 -33.5 26.2 20.6 1.0 63 63 A G H > S+ 0 0 20 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.836 100.9 50.9 -58.3 -35.5 27.9 17.5 -0.2 64 64 A V H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.905 111.6 46.2 -68.5 -41.3 31.1 18.5 1.6 65 65 A V H < S+ 0 0 13 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.862 111.5 50.2 -73.8 -35.6 29.4 19.2 4.9 66 66 A I H < S+ 0 0 2 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.725 119.1 38.2 -76.8 -21.5 27.4 16.0 4.9 67 67 A T H < S+ 0 0 83 -4,-1.0 2,-0.3 1,-0.3 -2,-0.2 0.616 132.5 28.2 -99.3 -17.7 30.5 13.9 4.2 68 68 A H S < S- 0 0 143 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.759 84.6-163.6-145.4 90.8 32.7 16.0 6.4 69 69 A F - 0 0 91 -2,-0.3 2,-0.2 -3,-0.2 -3,-0.1 -0.206 16.5-118.8 -75.0 164.6 30.8 17.7 9.3 70 70 A T - 0 0 67 3,-0.4 -1,-0.1 1,-0.1 -5,-0.0 -0.600 11.9-136.5 -95.6 163.0 31.9 20.6 11.4 71 71 A D S S+ 0 0 169 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.897 103.1 24.3 -86.7 -46.5 32.3 20.3 15.2 72 72 A E S S+ 0 0 173 3,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.702 113.0 108.6 -91.8 -22.9 30.7 23.5 16.3 73 73 A L + 0 0 72 2,-0.1 -3,-0.4 3,-0.0 2,-0.2 -0.714 36.9 56.7-106.0 160.1 28.5 23.8 13.2 74 74 A P S S- 0 0 28 0, 0.0 -47,-0.1 0, 0.0 -48,-0.1 0.522 91.8-112.0 -74.5 161.7 25.9 23.7 12.1 75 75 A S > - 0 0 43 -49,-0.3 4,-2.3 -2,-0.2 3,-0.2 -0.356 12.6-141.3 -66.2 132.9 24.4 26.3 14.4 76 76 A P H > S+ 0 0 82 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.857 104.6 53.1 -60.7 -36.6 21.8 24.9 17.0 77 77 A E H > S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.833 109.4 50.1 -69.6 -30.5 19.7 28.1 16.6 78 78 A D H > S+ 0 0 32 -3,-0.2 4,-2.9 2,-0.2 5,-0.3 0.899 110.2 48.1 -73.5 -42.9 19.7 27.5 12.8 79 79 A V H X S+ 0 0 18 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.920 114.3 46.6 -64.7 -42.4 18.6 23.9 13.1 80 80 A E H X S+ 0 0 98 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.854 112.0 54.2 -62.9 -34.2 15.9 24.9 15.5 81 81 A R H X S+ 0 0 147 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.969 111.5 40.8 -64.8 -55.5 15.0 27.7 13.1 82 82 A V H X S+ 0 0 4 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.862 113.3 57.8 -61.7 -34.4 14.6 25.4 10.1 83 83 A R H X S+ 0 0 134 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.919 109.3 43.2 -60.3 -46.1 12.9 22.9 12.4 84 84 A A H < S+ 0 0 70 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.907 118.0 45.1 -67.7 -43.1 10.3 25.6 13.3 85 85 A R H >< S+ 0 0 157 -4,-2.5 3,-1.5 1,-0.2 4,-0.3 0.953 113.5 46.7 -67.0 -51.3 9.8 26.8 9.7 86 86 A L H >< S+ 0 0 8 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.753 98.1 71.9 -67.0 -24.9 9.6 23.4 8.0 87 87 A A G >< S+ 0 0 54 -4,-1.2 3,-1.1 -5,-0.3 -1,-0.3 0.764 86.9 67.0 -60.6 -24.4 7.1 22.1 10.6 88 88 A A G < S+ 0 0 85 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.791 102.8 43.8 -68.4 -27.7 4.6 24.5 9.0 89 89 A Q G < S- 0 0 80 -3,-1.4 -1,-0.3 1,-0.4 -2,-0.2 0.291 127.5 -92.7 -99.6 8.4 4.6 22.4 5.8 90 90 A G < - 0 0 32 -3,-1.1 -1,-0.4 -4,-0.2 3,-0.1 -0.453 32.7-101.3 105.4 178.6 4.5 19.1 7.7 91 91 A W + 0 0 70 -2,-0.2 3,-0.5 -3,-0.1 -1,-0.1 -0.636 42.6 155.2-148.6 82.2 7.2 16.8 8.9 92 92 A P + 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -81,-0.0 0.362 67.1 85.8 -82.7 3.5 7.9 13.5 7.0 93 93 A L S S+ 0 0 12 -3,-0.1 2,-0.1 2,-0.0 -2,-0.0 0.883 99.3 23.4 -71.1 -39.6 11.3 13.7 8.5 94 94 A D S S- 0 0 107 -3,-0.5 2,-0.5 -56,-0.0 -3,-0.1 -0.373 94.7 -94.6-111.7-168.3 10.2 11.8 11.6 95 95 A D - 0 0 127 -2,-0.1 2,-0.4 2,-0.0 -2,-0.0 -0.961 35.0-172.7-119.5 127.8 7.3 9.5 12.3 96 96 A V - 0 0 125 -2,-0.5 2,-0.3 -5,-0.1 -5,-0.0 -0.965 20.4-132.1-123.6 131.4 3.9 10.7 13.6 97 97 A R - 0 0 180 -2,-0.4 2,-0.9 1,-0.1 4,-0.2 -0.622 33.4-110.3 -76.5 136.5 1.0 8.6 14.8 98 98 A D S S+ 0 0 164 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 -0.597 76.5 105.6 -73.3 105.2 -2.4 9.8 13.4 99 99 A R S S- 0 0 189 -2,-0.9 2,-1.7 3,-0.1 3,-0.3 -0.882 83.3 -91.9-176.0 144.4 -4.1 11.2 16.4 100 100 A E S S+ 0 0 140 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.548 70.6 134.6 -71.9 89.0 -4.9 14.6 17.7 101 101 A E S S+ 0 0 100 -2,-1.7 2,-0.4 1,-0.3 -1,-0.2 0.849 72.3 2.9 -97.9 -65.1 -1.8 15.1 19.8 102 102 A H 0 0 171 -3,-0.3 -1,-0.3 0, 0.0 -3,-0.1 -0.967 360.0 360.0-132.8 115.2 -0.5 18.6 19.0 103 103 A A 0 0 137 -2,-0.4 -3,-0.0 -3,-0.1 0, 0.0 -0.903 360.0 360.0-114.9 360.0 -2.3 21.0 16.7