==== 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 3WDE . 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) . 7747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 73.4 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 45 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -11.0 -25.4 5.1 -4.6 2 2 A F G > + 0 0 8 1,-0.3 3,-1.7 2,-0.2 101,-0.1 0.786 360.0 72.7 -64.2 -21.8 -22.2 6.1 -2.8 3 3 A E G 3 S+ 0 0 126 1,-0.3 -1,-0.3 99,-0.0 7,-0.0 0.716 93.9 54.8 -57.8 -22.3 -23.3 3.7 -0.0 4 4 A R G < S+ 0 0 92 -3,-2.1 99,-2.6 98,-0.1 -1,-0.3 0.502 86.7 101.8 -91.1 -6.5 -22.5 0.9 -2.4 5 5 A F B < S-a 103 0A 5 -3,-1.7 99,-0.2 -4,-0.3 87,-0.0 -0.582 77.0-117.2 -76.2 142.2 -18.9 2.1 -2.9 6 6 A T > - 0 0 40 97,-2.9 4,-2.6 -2,-0.2 5,-0.2 -0.236 32.2-101.2 -65.6 165.7 -16.1 0.3 -1.0 7 7 A D H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.921 125.2 46.7 -53.1 -48.2 -14.1 2.3 1.5 8 8 A R H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 109.6 52.6 -66.0 -39.0 -11.2 2.6 -0.9 9 9 A A H > S+ 0 0 0 94,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 110.2 49.1 -64.3 -38.7 -13.5 3.6 -3.8 10 10 A R H X S+ 0 0 89 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.909 108.5 53.6 -64.2 -40.5 -15.0 6.4 -1.6 11 11 A R H X S+ 0 0 109 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.877 105.6 54.9 -61.0 -39.2 -11.4 7.5 -0.7 12 12 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.922 110.1 44.9 -57.9 -44.5 -10.7 7.8 -4.4 13 13 A V H X S+ 0 0 3 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.924 113.8 49.2 -69.0 -42.5 -13.6 10.1 -5.0 14 14 A V H X S+ 0 0 65 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.924 113.5 47.4 -59.7 -44.3 -12.7 12.2 -1.9 15 15 A L H X S+ 0 0 39 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.901 103.7 61.8 -67.7 -36.7 -9.1 12.4 -3.1 16 16 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.879 101.1 53.8 -54.8 -43.2 -10.2 13.4 -6.6 17 17 A Q H X S+ 0 0 14 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.897 110.5 45.7 -57.5 -43.6 -11.8 16.5 -5.2 18 18 A E H X S+ 0 0 66 -4,-1.2 4,-2.6 -3,-0.3 -2,-0.2 0.812 106.1 58.9 -73.0 -28.8 -8.5 17.5 -3.5 19 19 A E H X S+ 0 0 18 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.930 111.8 42.9 -57.7 -45.3 -6.6 16.7 -6.7 20 20 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.6 -5,-0.2 3,-0.9 0.945 113.5 51.2 -64.9 -48.1 -8.8 19.4 -8.3 21 21 A R H ><5S+ 0 0 34 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.911 108.3 50.5 -59.6 -43.7 -8.5 21.8 -5.4 22 22 A M H 3<5S+ 0 0 125 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.657 108.7 52.1 -73.0 -14.5 -4.7 21.7 -5.3 23 23 A L T <<5S- 0 0 25 -3,-0.9 47,-1.1 -4,-0.8 -1,-0.3 0.227 119.2-112.1 -97.7 8.5 -4.5 22.4 -9.1 24 24 A N T < 5 + 0 0 31 -3,-1.6 2,-0.3 45,-0.2 46,-0.3 0.885 67.0 153.1 59.3 40.1 -6.8 25.4 -8.5 25 25 A H < - 0 0 18 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.726 41.3-155.0 -98.0 153.6 -9.6 23.7 -10.5 26 26 A N S S+ 0 0 94 -2,-0.3 2,-0.3 47,-0.1 -1,-0.1 0.297 74.5 47.6-117.4 9.1 -13.3 24.4 -10.0 27 27 A Y S S- 0 0 149 51,-0.2 2,-0.8 -7,-0.1 53,-0.2 -0.973 77.1-123.9-139.4 155.5 -14.8 21.1 -11.2 28 28 A I B -b 80 0B 0 51,-2.8 53,-2.6 -2,-0.3 56,-0.2 -0.899 43.3-177.5 -98.2 105.6 -14.0 17.5 -10.5 29 29 A G >> - 0 0 1 -2,-0.8 4,-1.6 51,-0.2 3,-1.0 -0.430 44.5 -93.0 -98.1 176.6 -13.4 16.0 -13.9 30 30 A T H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.850 123.8 60.4 -58.4 -32.8 -12.6 12.6 -15.2 31 31 A E H 3> S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.820 102.1 52.0 -67.7 -26.6 -8.9 13.5 -15.0 32 32 A H H <> S+ 0 0 3 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.839 107.4 51.9 -76.8 -33.8 -9.2 14.1 -11.3 33 33 A I H X S+ 0 0 4 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.922 110.5 49.3 -61.1 -45.7 -10.8 10.7 -10.9 34 34 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 5,-0.2 0.954 111.6 48.1 -58.9 -47.7 -7.8 9.2 -12.8 35 35 A L H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.913 112.6 50.0 -58.6 -43.5 -5.4 11.1 -10.6 36 36 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.868 106.2 54.0 -63.3 -40.1 -7.2 9.8 -7.5 37 37 A L H X S+ 0 0 3 -4,-2.4 4,-0.7 2,-0.2 9,-0.2 0.895 117.2 37.9 -61.0 -41.7 -7.2 6.2 -8.6 38 38 A I H >< S+ 0 0 24 -4,-1.8 3,-0.7 -5,-0.2 -2,-0.2 0.936 115.5 51.1 -73.3 -46.7 -3.4 6.3 -9.0 39 39 A H H 3< S+ 0 0 88 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.835 101.1 61.1 -68.4 -31.3 -2.6 8.5 -6.0 40 40 A E H 3< S- 0 0 44 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.854 88.9-170.3 -61.3 -36.4 -4.6 6.3 -3.7 41 41 A G << + 0 0 48 -3,-0.7 -3,-0.1 -4,-0.7 -1,-0.1 0.465 51.5 73.5 71.2 13.6 -2.2 3.5 -4.7 42 42 A E S S+ 0 0 138 -5,-0.2 -1,-0.1 -34,-0.1 -4,-0.1 0.666 71.4 81.4-129.9 -35.7 -3.5 0.2 -3.3 43 43 A G S > S- 0 0 5 -6,-0.2 4,-2.3 -35,-0.1 5,-0.2 -0.032 90.3 -92.2 -73.0 177.2 -6.5 -1.1 -5.2 44 44 A V H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.835 123.6 57.1 -62.4 -33.3 -7.0 -3.0 -8.4 45 45 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.964 108.9 44.7 -64.3 -48.2 -7.3 0.2 -10.4 46 46 A A H > S+ 0 0 13 -9,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 114.8 49.5 -59.1 -43.7 -3.9 1.6 -9.2 47 47 A K H X S+ 0 0 99 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.924 110.3 50.3 -62.3 -42.6 -2.3 -1.8 -9.8 48 48 A S H < S+ 0 0 0 -4,-2.6 4,-0.4 2,-0.2 -2,-0.2 0.918 113.5 45.3 -63.3 -45.5 -3.8 -2.0 -13.4 49 49 A L H ><>S+ 0 0 1 -4,-2.5 5,-2.5 1,-0.2 3,-1.3 0.933 114.0 47.8 -64.7 -44.4 -2.5 1.5 -14.2 50 50 A E H ><5S+ 0 0 137 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.903 107.8 57.0 -61.4 -41.0 0.9 0.9 -12.8 51 51 A S T 3<5S+ 0 0 50 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.507 106.9 49.2 -71.3 -7.4 1.1 -2.4 -14.6 52 52 A L T < 5S- 0 0 17 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.258 120.8-106.1-107.5 5.8 0.5 -0.5 -17.9 53 53 A G T < 5S+ 0 0 66 -3,-1.8 2,-0.8 1,-0.2 -3,-0.2 0.724 71.7 144.3 76.9 22.7 3.2 2.1 -17.2 54 54 A I < - 0 0 4 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.840 30.1-172.1 -94.3 107.0 0.7 4.9 -16.5 55 55 A S > - 0 0 63 -2,-0.8 4,-2.3 1,-0.1 5,-0.2 -0.649 37.9-117.6-105.9 161.1 2.3 7.0 -13.7 56 56 A L H > S+ 0 0 28 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.883 117.1 52.5 -59.1 -37.6 1.0 9.8 -11.5 57 57 A E H > S+ 0 0 113 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 107.3 51.2 -68.0 -39.9 3.8 12.0 -13.1 58 58 A G H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.930 113.2 45.1 -61.6 -43.6 2.7 11.2 -16.6 59 59 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.929 111.8 52.1 -66.9 -44.1 -0.9 12.0 -15.9 60 60 A R H X S+ 0 0 89 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.908 108.9 51.3 -58.2 -44.4 0.0 15.2 -14.0 61 61 A S H X S+ 0 0 68 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.921 111.4 46.5 -61.3 -44.5 2.1 16.4 -17.0 62 62 A Q H X S+ 0 0 29 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.883 109.7 53.3 -66.2 -39.6 -0.7 15.8 -19.5 63 63 A V H X>S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-1.9 0.904 109.8 48.9 -60.4 -41.5 -3.3 17.5 -17.2 64 64 A E H <5S+ 0 0 75 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.916 114.8 45.8 -64.9 -38.0 -1.0 20.6 -17.1 65 65 A E H <5S+ 0 0 131 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.869 123.2 33.0 -70.9 -38.0 -0.6 20.6 -20.8 66 66 A I H <5S+ 0 0 61 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.863 137.7 10.8 -86.8 -41.6 -4.4 20.0 -21.6 67 67 A I T <5S- 0 0 76 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.837 82.7-160.2-108.6 -51.0 -6.2 21.9 -18.8 68 68 A G < - 0 0 25 -5,-1.9 2,-0.2 2,-0.0 -3,-0.1 0.179 28.8 -74.2 73.2 159.8 -3.7 24.1 -16.8 69 69 A Q - 0 0 106 1,-0.1 -45,-0.2 -5,-0.1 -44,-0.1 -0.475 37.5-126.9 -89.7 155.7 -4.2 25.5 -13.3 70 70 A G - 0 0 37 -47,-1.1 -45,-0.1 -46,-0.3 -1,-0.1 -0.223 30.3-104.1 -84.1-174.6 -6.4 28.3 -12.2 71 71 A Q S S+ 0 0 193 1,-0.2 2,-0.3 -47,-0.1 -47,-0.1 0.815 95.7 25.6 -86.9 -30.8 -5.2 31.3 -10.2 72 72 A Q S S- 0 0 156 -48,-0.3 -1,-0.2 -49,-0.1 -2,-0.1 -0.989 76.3-115.5-138.1 148.9 -6.6 30.3 -6.7 73 73 A A - 0 0 45 -2,-0.3 -52,-0.1 -3,-0.1 -51,-0.1 -0.674 39.2-129.8 -79.2 125.1 -7.6 27.1 -4.9 74 74 A P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 -50,-0.1 -0.352 11.1-138.4 -75.1 154.7 -11.3 27.1 -4.1 75 75 A S + 0 0 116 2,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.666 63.1 19.7-101.5 164.8 -12.9 26.5 -0.7 76 76 A G S S- 0 0 48 -2,-0.2 2,-0.3 2,-0.1 0, 0.0 -0.179 106.3 -8.0 73.8-168.3 -16.0 24.3 -0.3 77 77 A H - 0 0 128 1,-0.0 -2,-0.1 75,-0.0 75,-0.0 -0.490 54.4-154.3 -79.8 128.5 -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 -0.836 22.1-129.6 -98.8 125.5 -16.3 21.3 -6.0 79 79 A P - 0 0 41 0, 0.0 -51,-2.8 0, 0.0 73,-0.2 -0.443 18.0-109.6 -79.3 149.1 -19.0 19.9 -8.4 80 80 A Y B -b 28 0B 12 71,-2.0 -51,-0.2 -53,-0.2 -63,-0.0 -0.471 32.9-120.2 -65.3 143.7 -18.5 16.9 -10.7 81 81 A T > - 0 0 32 -53,-2.6 4,-2.5 -2,-0.1 5,-0.2 -0.351 31.5-101.7 -71.1 163.7 -18.4 17.7 -14.4 82 82 A P H > S+ 0 0 109 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.903 125.1 47.6 -51.5 -44.7 -21.0 16.1 -16.7 83 83 A R H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.877 109.1 52.1 -70.3 -35.7 -18.5 13.5 -17.9 84 84 A A H > S+ 0 0 0 2,-0.2 4,-2.2 -56,-0.2 -1,-0.2 0.902 108.4 52.7 -65.2 -37.5 -17.3 12.7 -14.3 85 85 A K H X S+ 0 0 65 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.930 109.0 49.5 -57.6 -45.9 -21.0 12.1 -13.4 86 86 A K H X S+ 0 0 95 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.918 108.3 53.4 -65.0 -40.0 -21.4 9.7 -16.3 87 87 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.934 110.7 46.3 -58.3 -46.2 -18.2 7.8 -15.2 88 88 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.915 113.3 49.6 -68.5 -36.3 -19.6 7.3 -11.6 89 89 A E H >X S+ 0 0 79 -4,-2.6 3,-0.8 1,-0.2 4,-0.7 0.935 111.2 49.0 -61.3 -47.2 -23.0 6.2 -13.0 90 90 A L H >X S+ 0 0 42 -4,-2.9 4,-1.9 1,-0.2 3,-0.6 0.820 98.2 69.1 -65.6 -30.1 -21.3 3.7 -15.4 91 91 A S H 3X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.848 92.5 60.1 -57.9 -34.1 -19.2 2.3 -12.5 92 92 A L H S+ 0 0 2 -4,-2.1 5,-2.7 1,-0.2 3,-0.4 0.950 112.2 48.3 -61.8 -49.4 -19.5 -3.8 -10.9 96 96 A L H ><5S+ 0 0 91 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.929 110.8 50.8 -60.8 -43.8 -22.9 -5.6 -11.4 97 97 A Q H 3<5S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.782 108.3 52.0 -65.4 -26.8 -21.8 -7.2 -14.6 98 98 A L T 3<5S- 0 0 71 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.436 124.6-102.4 -90.5 2.8 -18.5 -8.5 -13.1 99 99 A G T < 5S+ 0 0 64 -3,-1.4 2,-0.4 -4,-0.4 -3,-0.2 0.704 77.0 135.2 86.6 24.9 -20.5 -10.1 -10.2 100 100 A H < - 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