==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/ANTIMICROBIAL PROTEIN 14-JUN-13 3WDC . COMPND 2 MOLECULE: PROBABLE ATP-DEPENDENT CLP PROTEASE ATP-BINDING S . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.VASUDEVAN,C.G.NOBLE . 154 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.6 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 51.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 1 1 0 0 3 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 M > 0 0 47 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -10.1 -25.3 5.1 -4.6 2 2 A F G > + 0 0 9 1,-0.3 3,-1.7 2,-0.2 101,-0.1 0.785 360.0 71.5 -60.8 -23.2 -22.0 6.2 -2.9 3 3 A E G 3 S+ 0 0 113 1,-0.3 -1,-0.3 99,-0.0 7,-0.0 0.700 92.2 56.5 -65.1 -17.9 -23.0 3.9 -0.0 4 4 A R G < S+ 0 0 77 -3,-2.1 99,-2.4 98,-0.1 -1,-0.3 0.482 85.5 104.0 -90.6 -1.8 -22.3 1.0 -2.3 5 5 A F B < S-a 103 0A 2 -3,-1.7 99,-0.2 -4,-0.3 87,-0.0 -0.562 77.6-115.8 -75.8 140.7 -18.7 2.1 -2.9 6 6 A T > - 0 0 46 97,-2.8 4,-2.7 -2,-0.2 5,-0.2 -0.224 32.6-101.1 -62.1 164.0 -16.0 0.3 -1.1 7 7 A D H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.915 125.1 46.5 -52.3 -48.0 -14.0 2.2 1.5 8 8 A R H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 109.7 52.8 -68.6 -36.6 -11.1 2.6 -0.9 9 9 A A H > S+ 0 0 0 94,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.912 110.2 49.1 -64.6 -37.8 -13.4 3.7 -3.8 10 10 A R H X S+ 0 0 91 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.933 108.6 52.8 -64.9 -41.6 -14.9 6.4 -1.5 11 11 A R H X S+ 0 0 108 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.888 106.7 54.7 -59.5 -38.0 -11.3 7.4 -0.6 12 12 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.914 110.5 44.6 -54.5 -53.7 -10.6 7.7 -4.4 13 13 A V H X S+ 0 0 1 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.927 113.9 49.1 -65.2 -43.4 -13.6 10.0 -4.9 14 14 A V H X S+ 0 0 65 -4,-2.6 4,-1.2 1,-0.2 3,-0.2 0.924 113.4 47.6 -60.5 -42.7 -12.7 12.1 -1.8 15 15 A L H X S+ 0 0 39 -4,-2.8 4,-2.4 -5,-0.2 3,-0.3 0.900 103.1 62.6 -67.6 -37.0 -9.1 12.4 -3.0 16 16 A A H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.872 100.4 54.5 -53.6 -41.2 -10.2 13.4 -6.6 17 17 A Q H X S+ 0 0 12 -4,-1.5 4,-2.5 -3,-0.2 -1,-0.3 0.915 110.2 45.4 -59.4 -43.7 -11.8 16.5 -5.1 18 18 A E H X S+ 0 0 64 -4,-1.2 4,-2.6 -3,-0.3 -2,-0.2 0.811 105.4 60.1 -71.4 -30.1 -8.5 17.4 -3.5 19 19 A E H X S+ 0 0 9 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.915 111.3 42.4 -57.2 -42.9 -6.6 16.7 -6.7 20 20 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.6 -5,-0.2 3,-1.0 0.937 113.1 52.2 -67.3 -47.5 -8.8 19.3 -8.3 21 21 A R H ><5S+ 0 0 32 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.912 107.4 51.5 -58.8 -44.2 -8.5 21.8 -5.4 22 22 A M H 3<5S+ 0 0 123 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.653 108.6 52.0 -73.9 -11.3 -4.7 21.6 -5.3 23 23 A L T <<5S- 0 0 16 -3,-1.0 47,-1.0 -4,-0.6 -1,-0.3 0.231 118.4-111.9 -96.8 7.6 -4.6 22.4 -9.0 24 24 A N T < 5 + 0 0 31 -3,-1.7 46,-0.5 1,-0.2 48,-0.3 0.868 67.2 152.9 60.2 38.0 -6.8 25.4 -8.5 25 25 A H < - 0 0 16 -5,-2.6 -1,-0.2 44,-0.1 -2,-0.1 -0.715 40.9-155.9 -98.4 152.3 -9.6 23.7 -10.4 26 26 A N S S+ 0 0 92 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.242 74.2 48.4-115.5 6.6 -13.3 24.3 -9.9 27 27 A Y S S- 0 0 149 51,-0.2 2,-0.8 -7,-0.1 53,-0.2 -0.969 76.9-124.7-137.3 154.9 -14.8 21.1 -11.1 28 28 A I B -b 80 0B 0 51,-2.7 53,-2.5 -2,-0.3 56,-0.2 -0.917 43.7-177.8 -96.6 105.3 -14.0 17.4 -10.4 29 29 A G >> - 0 0 1 -2,-0.8 4,-1.7 51,-0.2 3,-1.1 -0.436 44.6 -92.8 -98.4 175.6 -13.4 16.0 -13.8 30 30 A T H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.856 124.0 60.2 -54.7 -34.7 -12.6 12.6 -15.1 31 31 A E H 3> S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.808 102.0 52.0 -66.6 -28.5 -8.9 13.5 -15.0 32 32 A H H <> S+ 0 0 2 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.846 107.3 52.4 -75.7 -34.2 -9.2 14.1 -11.2 33 33 A I H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.926 110.4 48.9 -59.4 -46.4 -10.8 10.7 -10.8 34 34 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.944 111.5 48.5 -58.5 -48.4 -7.8 9.2 -12.8 35 35 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.917 112.6 49.2 -55.7 -47.5 -5.3 11.1 -10.5 36 36 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.876 106.7 54.7 -63.8 -38.5 -7.1 9.9 -7.4 37 37 A L H X S+ 0 0 3 -4,-2.5 4,-0.7 2,-0.2 5,-0.2 0.906 117.0 37.5 -60.0 -41.6 -7.2 6.2 -8.6 38 38 A I H >< S+ 0 0 24 -4,-1.9 3,-0.8 -5,-0.2 -2,-0.2 0.936 115.6 51.8 -73.6 -48.8 -3.4 6.3 -9.0 39 39 A H H 3< S+ 0 0 91 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.855 100.5 60.9 -63.3 -35.8 -2.6 8.5 -6.0 40 40 A E H 3< S- 0 0 46 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.863 90.3-166.9 -62.7 -32.6 -4.5 6.3 -3.6 41 41 A G << + 0 0 47 -3,-0.8 -3,-0.1 -4,-0.7 -1,-0.1 0.524 51.6 71.5 70.6 19.4 -2.1 3.6 -4.6 42 42 A E S S+ 0 0 134 -5,-0.2 -1,-0.1 -34,-0.0 -4,-0.1 0.635 70.6 81.7-135.1 -30.3 -3.4 0.1 -3.4 43 43 A G S > S- 0 0 7 -6,-0.2 4,-2.5 -35,-0.1 5,-0.2 -0.084 90.4 -90.2 -80.8-179.4 -6.5 -1.2 -5.2 44 44 A V H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 123.4 56.6 -67.3 -32.3 -6.9 -3.0 -8.5 45 45 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.965 109.8 44.3 -61.6 -50.8 -7.3 0.3 -10.4 46 46 A A H > S+ 0 0 12 -9,-0.2 4,-2.8 1,-0.2 5,-0.2 0.912 114.9 49.4 -59.2 -42.8 -3.9 1.6 -9.2 47 47 A K H X S+ 0 0 97 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.909 110.8 50.3 -62.7 -42.3 -2.3 -1.8 -9.8 48 48 A S H < S+ 0 0 0 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.922 113.4 44.7 -64.1 -45.8 -3.7 -1.9 -13.3 49 49 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-1.4 0.933 114.0 48.9 -65.9 -44.7 -2.5 1.6 -14.2 50 50 A E H ><5S+ 0 0 135 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.902 107.6 56.7 -58.2 -43.4 1.0 1.0 -12.7 51 51 A S T 3<5S+ 0 0 49 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.488 107.1 48.6 -68.4 -11.3 1.2 -2.3 -14.6 52 52 A L T < 5S- 0 0 18 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.238 120.3-107.1-104.1 4.3 0.6 -0.4 -17.9 53 53 A G T < 5S+ 0 0 64 -3,-1.8 2,-0.8 1,-0.2 -3,-0.2 0.732 71.2 144.0 77.1 22.7 3.2 2.2 -17.1 54 54 A I < - 0 0 4 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.854 30.8-171.7 -96.5 106.4 0.7 5.0 -16.4 55 55 A S > - 0 0 63 -2,-0.8 4,-2.4 -3,-0.1 5,-0.2 -0.616 38.0-116.1-102.3 161.7 2.3 7.0 -13.6 56 56 A L H > S+ 0 0 34 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.883 117.6 51.8 -57.4 -40.2 1.0 9.8 -11.5 57 57 A E H > S+ 0 0 124 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 107.3 51.6 -67.4 -40.0 3.7 12.1 -13.0 58 58 A G H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.923 113.3 44.8 -61.9 -41.9 2.7 11.3 -16.6 59 59 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.934 111.6 52.4 -68.5 -44.4 -0.9 12.0 -15.8 60 60 A R H X S+ 0 0 67 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.914 109.2 50.5 -55.9 -46.9 -0.0 15.3 -13.9 61 61 A S H X S+ 0 0 67 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.932 111.5 47.2 -60.2 -42.6 2.0 16.5 -16.9 62 62 A Q H X S+ 0 0 36 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.887 110.0 52.7 -67.2 -37.1 -0.8 15.8 -19.4 63 63 A V H X>S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-1.7 0.901 110.5 47.8 -63.7 -39.5 -3.3 17.5 -17.1 64 64 A E H <5S+ 0 0 75 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.909 114.9 47.1 -63.2 -39.2 -1.1 20.6 -16.9 65 65 A E H <5S+ 0 0 147 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.884 123.1 31.4 -69.8 -40.4 -0.7 20.5 -20.7 66 66 A I H <5S+ 0 0 64 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.847 136.8 14.1 -88.6 -42.6 -4.4 20.1 -21.6 67 67 A I T <5S- 0 0 74 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.844 81.6-160.7-106.5 -54.0 -6.2 21.9 -18.7 68 68 A G < - 0 0 26 -5,-1.7 2,-0.2 2,-0.0 -3,-0.1 0.228 28.5 -77.5 75.9 155.7 -3.8 24.2 -16.8 69 69 A Q - 0 0 102 1,-0.1 -45,-0.2 -5,-0.1 -44,-0.1 -0.474 36.1-123.3 -88.5 152.5 -4.4 25.6 -13.3 70 70 A G - 0 0 34 -47,-1.0 -1,-0.1 -46,-0.5 -45,-0.1 -0.255 31.5-103.8 -76.1-174.1 -6.6 28.4 -12.1 71 71 A Q S S+ 0 0 204 1,-0.2 2,-0.3 -47,-0.1 -47,-0.1 0.777 97.5 25.8 -85.4 -33.7 -5.3 31.4 -10.2 72 72 A Q S S- 0 0 153 -48,-0.3 -1,-0.2 -49,-0.1 -2,-0.1 -0.997 76.2-115.9-142.3 149.9 -6.7 30.3 -6.8 73 73 A A - 0 0 44 -2,-0.3 -52,-0.1 -3,-0.1 -51,-0.1 -0.645 39.0-128.8 -81.0 125.7 -7.6 27.2 -4.9 74 74 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 -50,-0.1 -0.361 11.2-140.0 -75.3 155.4 -11.4 27.1 -4.1 75 75 A S + 0 0 118 2,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.678 63.9 19.5-102.1 162.2 -12.8 26.4 -0.7 76 76 A G S S- 0 0 43 -2,-0.2 2,-0.3 2,-0.1 0, 0.0 -0.194 107.1 -7.3 78.1-170.7 -15.9 24.2 -0.2 77 77 A H - 0 0 128 1,-0.0 -2,-0.1 75,-0.0 75,-0.0 -0.487 54.3-154.7 -77.8 128.8 -17.6 21.7 -2.5 78 78 A I - 0 0 4 -2,-0.3 75,-0.3 -4,-0.1 -51,-0.2 -0.849 22.6-128.3 -98.2 125.4 -16.2 21.3 -6.0 79 79 A P - 0 0 41 0, 0.0 -51,-2.7 0, 0.0 73,-0.2 -0.433 18.1-111.2 -78.6 147.4 -18.9 19.9 -8.4 80 80 A F B -b 28 0B 11 71,-2.0 -51,-0.2 -53,-0.2 -63,-0.0 -0.467 33.1-119.1 -63.5 143.4 -18.5 16.9 -10.6 81 81 A T > - 0 0 31 -53,-2.5 4,-2.6 -2,-0.2 5,-0.2 -0.363 30.8-102.0 -68.3 162.8 -18.3 17.6 -14.4 82 82 A P H > S+ 0 0 109 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.903 125.2 47.4 -52.3 -43.5 -21.0 16.0 -16.6 83 83 A R H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.877 109.2 52.5 -72.8 -34.2 -18.5 13.4 -17.8 84 84 A A H > S+ 0 0 0 2,-0.2 4,-2.2 -56,-0.2 -1,-0.2 0.899 108.5 52.1 -63.6 -41.2 -17.3 12.7 -14.2 85 85 A K H X S+ 0 0 66 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.934 109.2 50.1 -56.5 -46.3 -21.0 12.1 -13.3 86 86 A K H X S+ 0 0 102 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.917 108.4 52.6 -61.2 -45.8 -21.3 9.7 -16.2 87 87 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.926 110.6 47.0 -54.3 -47.8 -18.2 7.8 -15.1 88 88 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.905 112.8 49.0 -68.6 -35.3 -19.5 7.3 -11.6 89 89 A E H >X S+ 0 0 74 -4,-2.6 3,-0.8 1,-0.2 4,-0.7 0.925 111.2 49.9 -65.4 -42.3 -22.9 6.2 -12.9 90 90 A L H >X S+ 0 0 16 -4,-2.9 4,-1.9 1,-0.2 3,-0.7 0.842 98.4 68.7 -64.3 -32.3 -21.2 3.7 -15.3 91 91 A S H 3X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.838 92.0 60.1 -57.0 -34.6 -19.1 2.3 -12.5 92 92 A L H S+ 0 0 2 -4,-2.2 5,-2.6 1,-0.2 4,-0.4 0.944 111.9 47.9 -61.2 -51.1 -19.4 -3.7 -10.8 96 96 A L H ><5S+ 0 0 103 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.929 110.9 51.2 -60.0 -43.1 -22.7 -5.6 -11.2 97 97 A Q H 3<5S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.801 107.6 53.1 -67.1 -26.0 -21.6 -7.2 -14.5 98 98 A L T 3<5S- 0 0 74 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.450 125.9-100.2 -89.1 3.6 -18.4 -8.4 -13.0 99 99 A G T < 5S+ 0 0 66 -3,-1.5 2,-0.4 -4,-0.4 -3,-0.2 0.704 79.7 130.1 90.4 22.1 -20.3 -10.1 -10.1 100 100 A H < - 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