==== 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 3WDD . 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) . 7736.0 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 49 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -7.8 -25.2 5.2 -4.6 2 2 A Y G > + 0 0 12 1,-0.3 3,-1.6 2,-0.2 101,-0.1 0.772 360.0 75.4 -60.5 -24.3 -22.0 6.0 -2.6 3 3 A E G 3 S+ 0 0 128 1,-0.3 -1,-0.3 99,-0.0 0, 0.0 0.774 94.1 51.7 -55.3 -23.8 -23.3 3.5 -0.0 4 4 A R G < S+ 0 0 83 -3,-2.0 99,-2.4 98,-0.1 -1,-0.3 0.535 87.7 102.4 -93.0 -7.6 -22.3 0.8 -2.4 5 5 A F B < S-a 103 0A 5 -3,-1.6 99,-0.2 -4,-0.3 97,-0.0 -0.544 76.2-117.7 -75.5 139.2 -18.7 2.1 -2.9 6 6 A T > - 0 0 43 97,-2.7 4,-2.6 -2,-0.2 5,-0.2 -0.242 31.9-102.7 -61.6 164.4 -15.9 0.3 -1.1 7 7 A D H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.920 124.7 48.0 -56.1 -44.4 -13.9 2.3 1.4 8 8 A R H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 108.9 52.0 -67.7 -37.4 -11.1 2.6 -1.1 9 9 A A H > S+ 0 0 0 94,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 110.3 49.7 -65.3 -39.4 -13.4 3.6 -3.9 10 10 A R H X S+ 0 0 85 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.920 108.3 53.6 -61.5 -42.2 -14.8 6.4 -1.6 11 11 A R H X S+ 0 0 106 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.882 105.6 53.9 -60.0 -38.6 -11.2 7.4 -0.8 12 12 A V H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.918 110.3 46.0 -60.8 -43.9 -10.5 7.8 -4.5 13 13 A V H X S+ 0 0 3 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.925 113.9 48.3 -66.3 -44.0 -13.5 10.1 -5.0 14 14 A V H X S+ 0 0 64 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.915 113.5 47.6 -60.7 -44.1 -12.5 12.1 -1.9 15 15 A L H X S+ 0 0 40 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.897 103.5 61.8 -68.2 -34.7 -9.0 12.3 -3.2 16 16 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.884 101.4 53.8 -55.6 -41.7 -10.1 13.4 -6.7 17 17 A Q H X S+ 0 0 14 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.917 110.2 45.9 -59.9 -41.6 -11.7 16.5 -5.2 18 18 A E H X S+ 0 0 66 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.818 106.1 59.3 -74.3 -27.6 -8.4 17.4 -3.6 19 19 A E H X S+ 0 0 9 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.926 111.1 43.0 -60.7 -43.4 -6.5 16.7 -6.8 20 20 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.6 -5,-0.2 3,-0.9 0.949 112.7 51.9 -63.8 -48.0 -8.7 19.3 -8.4 21 21 A R H ><5S+ 0 0 33 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.904 108.3 50.3 -58.9 -44.0 -8.4 21.8 -5.5 22 22 A M H 3<5S+ 0 0 127 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.658 108.5 53.3 -74.0 -12.8 -4.6 21.6 -5.4 23 23 A L T <<5S- 0 0 15 -3,-0.9 47,-1.1 -4,-0.7 -1,-0.3 0.265 118.4-112.8 -95.0 6.7 -4.5 22.3 -9.1 24 24 A N T < 5 + 0 0 31 -3,-1.7 48,-0.3 1,-0.2 2,-0.3 0.860 66.8 152.2 59.9 37.9 -6.7 25.4 -8.6 25 25 A H < - 0 0 16 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.728 41.6-156.1 -99.4 150.5 -9.5 23.7 -10.5 26 26 A N S S+ 0 0 98 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.283 75.4 49.2-114.4 9.6 -13.2 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 -0.972 76.9-125.9-138.3 153.9 -14.7 21.2 -11.3 28 28 A I B -b 80 0B 0 51,-2.6 53,-2.5 -2,-0.3 56,-0.2 -0.901 42.7-177.2 -97.1 108.1 -13.8 17.5 -10.5 29 29 A G >> - 0 0 1 -2,-0.8 4,-1.6 51,-0.2 3,-1.1 -0.465 44.7 -92.5 -98.9 176.9 -13.3 16.1 -14.0 30 30 A T H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.847 124.2 60.8 -57.0 -35.5 -12.5 12.7 -15.3 31 31 A E H 3> S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.812 101.9 51.8 -64.3 -29.5 -8.8 13.5 -15.1 32 32 A H H <> S+ 0 0 2 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.854 107.2 52.1 -75.5 -33.2 -9.1 14.1 -11.3 33 33 A I H X S+ 0 0 4 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.928 110.6 49.9 -62.7 -44.0 -10.7 10.7 -10.9 34 34 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.944 111.4 47.5 -58.0 -49.7 -7.7 9.3 -12.9 35 35 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.917 112.7 49.8 -57.0 -44.9 -5.3 11.1 -10.6 36 36 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.884 106.5 54.7 -64.4 -37.9 -7.2 9.9 -7.6 37 37 A L H X S+ 0 0 3 -4,-2.5 4,-0.6 1,-0.2 5,-0.3 0.898 116.7 37.7 -61.1 -41.9 -7.2 6.3 -8.8 38 38 A I H >< S+ 0 0 24 -4,-1.9 3,-1.1 -5,-0.2 -2,-0.2 0.938 115.2 52.4 -72.5 -49.6 -3.4 6.3 -9.1 39 39 A H H 3< S+ 0 0 88 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.829 98.1 63.2 -65.2 -31.6 -2.6 8.5 -6.1 40 40 A E H 3< S- 0 0 47 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.855 89.0-164.2 -67.3 -25.5 -4.5 6.3 -3.7 41 41 A G << + 0 0 49 -3,-1.1 -3,-0.1 -4,-0.6 -1,-0.1 0.518 54.7 70.4 74.6 11.3 -2.0 3.6 -4.6 42 42 A E S S+ 0 0 133 -5,-0.3 -1,-0.1 -34,-0.1 -4,-0.1 0.648 70.7 78.8-131.8 -34.3 -3.5 0.2 -3.4 43 43 A G S > S- 0 0 6 -6,-0.2 4,-2.3 -35,-0.1 5,-0.2 -0.063 90.2 -88.9 -80.1 177.6 -6.5 -1.1 -5.3 44 44 A V H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.856 123.3 56.7 -65.1 -32.9 -6.9 -2.9 -8.5 45 45 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.962 108.8 45.6 -63.2 -47.9 -7.2 0.3 -10.5 46 46 A A H > S+ 0 0 14 -9,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 114.9 48.9 -57.6 -45.2 -3.9 1.6 -9.2 47 47 A K H X S+ 0 0 98 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.910 110.8 50.1 -62.5 -43.2 -2.3 -1.8 -9.9 48 48 A S H < S+ 0 0 0 -4,-2.6 4,-0.3 -5,-0.2 -2,-0.2 0.932 113.1 45.2 -62.6 -45.1 -3.7 -1.9 -13.4 49 49 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-1.5 0.937 113.0 49.8 -67.1 -43.1 -2.5 1.6 -14.3 50 50 A E H ><5S+ 0 0 134 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.912 107.5 55.4 -59.1 -40.5 1.0 1.0 -12.8 51 51 A S T 3<5S+ 0 0 49 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.469 107.6 49.6 -75.1 -7.1 1.2 -2.3 -14.8 52 52 A L T < 5S- 0 0 16 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.215 120.5-106.7-105.4 4.3 0.5 -0.3 -18.1 53 53 A G T < 5S+ 0 0 64 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.739 72.0 143.2 74.7 26.0 3.2 2.3 -17.4 54 54 A I < - 0 0 4 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.863 29.4-175.0 -99.1 106.2 0.7 5.1 -16.5 55 55 A S > - 0 0 62 -2,-0.8 4,-2.5 -3,-0.1 5,-0.2 -0.602 39.5-114.4-102.9 162.6 2.3 7.1 -13.7 56 56 A L H > S+ 0 0 35 1,-0.2 4,-2.6 -2,-0.2 5,-0.1 0.889 118.6 51.1 -58.5 -38.7 1.1 9.9 -11.6 57 57 A E H > S+ 0 0 124 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 107.2 52.1 -68.5 -39.0 3.7 12.2 -13.1 58 58 A G H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.925 113.5 44.6 -61.3 -44.3 2.8 11.2 -16.7 59 59 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.937 111.5 52.6 -66.2 -44.0 -0.8 12.1 -16.0 60 60 A R H X S+ 0 0 61 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.905 108.7 50.7 -58.2 -44.4 0.0 15.3 -14.2 61 61 A S H X S+ 0 0 68 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.917 111.7 47.2 -62.6 -41.3 2.1 16.5 -17.1 62 62 A Q H X S+ 0 0 35 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.888 110.2 52.3 -68.0 -37.0 -0.7 15.8 -19.6 63 63 A V H X>S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-1.9 0.900 109.6 49.5 -64.0 -39.6 -3.2 17.5 -17.4 64 64 A E H <5S+ 0 0 71 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.903 113.7 47.2 -64.2 -36.7 -1.0 20.6 -17.2 65 65 A E H <5S+ 0 0 145 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.888 122.7 32.7 -70.3 -39.0 -0.6 20.5 -21.0 66 66 A I H <5S+ 0 0 62 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.836 138.1 10.3 -88.6 -40.3 -4.4 20.1 -21.7 67 67 A I T <5S- 0 0 74 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.800 82.1-160.3-110.3 -50.1 -6.1 22.0 -18.9 68 68 A G < - 0 0 24 -5,-1.9 2,-0.1 -43,-0.0 -4,-0.1 0.270 29.9 -73.8 72.3 159.5 -3.6 24.1 -16.9 69 69 A Q - 0 0 109 1,-0.1 -45,-0.2 -5,-0.1 -44,-0.1 -0.440 38.6-125.3 -88.9 150.9 -4.1 25.4 -13.4 70 70 A G - 0 0 34 -47,-1.1 -45,-0.1 -46,-0.3 -1,-0.1 -0.191 29.0-104.9 -75.7-173.4 -6.3 28.3 -12.2 71 71 A Q S S+ 0 0 192 1,-0.2 2,-0.4 -47,-0.1 -47,-0.1 0.735 95.4 27.5 -87.1 -27.9 -5.1 31.2 -10.2 72 72 A Q S S- 0 0 164 -48,-0.3 -1,-0.2 -49,-0.1 -2,-0.1 -1.000 75.3-117.5-140.5 143.3 -6.5 30.3 -6.7 73 73 A A - 0 0 47 -2,-0.4 -51,-0.1 -3,-0.1 -52,-0.1 -0.671 40.5-128.2 -76.1 125.7 -7.4 27.1 -4.9 74 74 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 -50,-0.1 -0.356 11.0-136.7 -75.7 155.8 -11.2 27.0 -4.1 75 75 A S + 0 0 118 2,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.665 64.0 15.4 -96.6 160.3 -12.8 26.5 -0.7 76 76 A G S S- 0 0 46 -2,-0.2 2,-0.3 2,-0.1 0, 0.0 -0.201 107.0 -8.4 79.0-167.0 -15.8 24.2 -0.2 77 77 A H - 0 0 124 1,-0.0 -2,-0.1 75,-0.0 75,-0.0 -0.522 55.6-151.8 -80.7 128.4 -17.4 21.6 -2.5 78 78 A I - 0 0 4 -2,-0.3 75,-0.3 -4,-0.1 -51,-0.2 -0.848 21.7-127.6 -98.0 126.6 -16.1 21.3 -6.0 79 79 A P - 0 0 41 0, 0.0 -51,-2.6 0, 0.0 73,-0.2 -0.424 19.0-113.2 -77.8 148.9 -18.8 20.0 -8.5 80 80 A F B -b 28 0B 11 71,-2.1 -51,-0.2 -53,-0.2 -63,-0.0 -0.478 31.0-118.1 -69.4 145.6 -18.3 17.1 -10.8 81 81 A T > - 0 0 32 -53,-2.5 4,-2.6 -2,-0.2 5,-0.2 -0.357 31.1-102.4 -69.7 162.5 -18.2 17.7 -14.5 82 82 A P H > S+ 0 0 110 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.904 124.4 47.8 -52.1 -46.0 -20.9 16.1 -16.8 83 83 A R H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.882 109.3 52.2 -69.2 -36.2 -18.4 13.5 -17.9 84 84 A A H > S+ 0 0 0 2,-0.2 4,-2.1 -56,-0.2 -1,-0.2 0.901 108.2 52.3 -64.1 -39.3 -17.2 12.7 -14.4 85 85 A K H X S+ 0 0 62 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.929 108.8 50.7 -57.9 -44.7 -20.8 12.2 -13.4 86 86 A K H X S+ 0 0 98 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.917 106.8 54.3 -62.2 -40.5 -21.2 9.8 -16.3 87 87 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.919 109.5 46.8 -56.4 -48.2 -18.1 7.9 -15.2 88 88 A L H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.904 112.7 49.9 -68.9 -35.4 -19.5 7.4 -11.7 89 89 A E H >X S+ 0 0 80 -4,-2.5 3,-0.8 1,-0.2 4,-0.8 0.931 111.1 49.0 -61.3 -45.1 -22.9 6.3 -13.2 90 90 A L H >X S+ 0 0 39 -4,-2.8 4,-2.0 1,-0.2 3,-0.6 0.826 98.5 69.1 -67.7 -31.2 -21.2 3.8 -15.5 91 91 A S H 3X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.844 93.4 58.2 -54.0 -37.0 -19.1 2.4 -12.6 92 92 A L H S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 4,-0.3 0.933 111.0 49.8 -61.9 -48.1 -19.5 -3.7 -11.1 96 96 A L H ><5S+ 0 0 87 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.914 110.4 50.6 -59.6 -43.5 -22.9 -5.4 -11.6 97 97 A Q H 3<5S+ 0 0 127 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.787 107.3 53.4 -68.7 -25.6 -21.7 -7.1 -14.8 98 98 A L T 3<5S- 0 0 72 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.416 125.0-101.9 -88.5 6.2 -18.6 -8.4 -13.2 99 99 A G T < 5S+ 0 0 65 -3,-1.5 2,-0.4 -4,-0.3 -3,-0.2 0.764 78.7 131.6 85.3 27.7 -20.6 -10.0 -10.4 100 100 A H < - 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