==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 25-AUG-03 1Q9J . COMPND 2 MOLECULE: POLYKETIDE SYNTHASE ASSOCIATED PROTEIN 5; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.BUGLINO,K.C.ONWUEME,L.E.QUADRI,C.D.LIMA,S.K.BURLEY,NEW . 787 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 16.6 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 74 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 1 0 2 2 0 0 1 1 0 3 0 1 3 1 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 3 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 . 4 2 2 1 2 1 3 4 1 1 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 2 2 1 1 1 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 0 135 0, 0.0 6,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-137.5 95.0 53.1 -21.8 2 2 A F > - 0 0 174 1,-0.1 3,-2.5 4,-0.1 67,-0.3 -0.506 360.0 -91.9 -75.3 140.5 98.7 53.5 -22.8 3 3 A P T 3 S+ 0 0 78 0, 0.0 67,-0.3 0, 0.0 -1,-0.1 -0.276 115.9 32.1 -55.0 133.4 100.5 56.6 -21.5 4 4 A G T 3 S+ 0 0 59 65,-2.9 2,-0.1 1,-0.4 66,-0.1 -0.034 97.2 110.8 106.8 -27.6 100.2 59.4 -24.1 5 5 A S S < S- 0 0 40 -3,-2.5 64,-3.0 63,-0.1 2,-0.5 -0.439 77.0-103.6 -82.0 154.7 96.8 58.2 -25.3 6 6 A V E -A 68 0A 70 62,-0.2 62,-0.2 1,-0.2 3,-0.1 -0.643 27.4-170.7 -78.1 123.8 93.6 60.0 -24.8 7 7 A I E - 0 0 26 60,-3.0 2,-0.3 -2,-0.5 -1,-0.2 0.956 64.3 -45.9 -76.4 -55.8 91.4 58.5 -22.1 8 8 A R E -A 67 0A 52 59,-1.0 59,-1.9 3,-0.0 -1,-0.3 -0.943 55.9 -99.8-173.0 154.6 88.3 60.6 -22.8 9 9 A K E -A 66 0A 87 -2,-0.3 57,-0.2 57,-0.2 2,-0.2 -0.478 50.0-102.4 -77.6 153.7 87.3 64.2 -23.5 10 10 A L - 0 0 10 55,-2.8 55,-0.3 -2,-0.1 2,-0.2 -0.575 33.7-117.4 -79.5 148.2 85.9 66.1 -20.5 11 11 A S >> - 0 0 14 -2,-0.2 3,-2.2 1,-0.1 4,-1.7 -0.516 30.3-105.2 -81.4 150.5 82.2 66.5 -20.3 12 12 A H H 3> S+ 0 0 152 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.790 122.9 57.9 -46.3 -31.7 80.8 70.1 -20.3 13 13 A S H 34 S+ 0 0 4 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.837 108.2 45.1 -69.2 -32.1 80.2 69.8 -16.6 14 14 A E H X> S+ 0 0 0 -3,-2.2 3,-1.2 1,-0.2 4,-0.8 0.797 94.0 77.7 -82.9 -29.4 83.9 69.0 -15.9 15 15 A E H 3X S+ 0 0 40 -4,-1.7 4,-3.6 1,-0.3 3,-0.4 0.744 78.5 72.4 -53.7 -27.6 85.3 71.7 -18.1 16 16 A V H 3X S+ 0 0 8 -4,-0.5 4,-1.3 -3,-0.4 -1,-0.3 0.966 99.3 47.3 -53.6 -49.2 84.5 74.3 -15.5 17 17 A F H <4>S+ 0 0 3 -3,-1.2 5,-2.9 -4,-0.3 -1,-0.3 0.736 115.1 45.1 -65.0 -24.6 87.4 72.9 -13.4 18 18 A A H ><5S+ 0 0 0 -4,-0.8 3,-1.8 -3,-0.4 -1,-0.2 0.884 108.5 56.3 -83.4 -41.8 89.7 72.9 -16.4 19 19 A Q H 3<5S+ 0 0 108 -4,-3.6 -2,-0.2 1,-0.3 -3,-0.2 0.741 120.6 30.9 -60.4 -24.1 88.7 76.4 -17.5 20 20 A Y T 3<5S- 0 0 50 -4,-1.3 324,-2.2 -5,-0.3 -1,-0.3 0.020 107.0-121.4-121.4 25.9 89.7 77.7 -14.1 21 21 A E T < 5 - 0 0 14 -3,-1.8 2,-0.4 322,-0.2 -3,-0.2 0.848 43.7-167.6 35.1 51.0 92.5 75.2 -13.4 22 22 A V < + 0 0 0 -5,-2.9 91,-1.8 -6,-0.2 92,-0.4 -0.534 14.7 173.3 -76.7 126.2 90.6 74.1 -10.3 23 23 A F E -C 112 0B 0 -2,-0.4 319,-2.3 89,-0.3 2,-0.4 -0.953 18.2-147.8-126.4 148.7 92.4 71.9 -7.8 24 24 A T E -CD 111 341B 40 87,-3.1 87,-3.0 -2,-0.3 2,-0.3 -0.929 11.7-161.7-119.0 139.0 91.2 70.8 -4.4 25 25 A S E -CD 110 340B 2 315,-2.9 315,-1.6 -2,-0.4 2,-0.4 -0.907 8.0-166.5-121.8 153.4 93.4 70.2 -1.4 26 26 A M E -CD 109 339B 27 83,-1.6 83,-2.4 -2,-0.3 2,-0.5 -0.962 9.7-167.4-140.3 115.9 92.9 68.3 1.8 27 27 A T E -CD 108 338B 28 311,-2.7 311,-2.1 -2,-0.4 2,-0.6 -0.923 6.3-166.4-115.2 125.4 95.3 68.8 4.7 28 28 A I E -CD 107 337B 3 79,-3.1 79,-2.5 -2,-0.5 2,-0.5 -0.936 15.1-145.0-109.9 116.3 95.5 66.6 7.7 29 29 A Q E -CD 106 336B 50 307,-2.8 306,-3.3 -2,-0.6 307,-1.0 -0.692 28.5-164.2 -79.1 122.2 97.5 67.9 10.6 30 30 A L E - D 0 334B 6 75,-3.2 74,-0.5 -2,-0.5 2,-0.3 -0.631 22.1-160.3-111.2 169.9 99.2 64.9 12.3 31 31 A R E + D 0 333B 132 302,-1.1 302,-0.9 -2,-0.2 73,-0.4 -0.905 59.3 30.6-147.4 112.9 100.9 64.1 15.6 32 32 A G S S- 0 0 20 71,-1.7 2,-0.7 -2,-0.3 300,-0.2 -0.920 98.9 -25.9 137.6-163.5 103.2 61.1 15.8 33 33 A V - 0 0 126 -2,-0.3 2,-0.9 298,-0.3 71,-0.1 -0.793 47.4-155.9 -96.4 114.6 105.5 59.0 13.7 34 34 A I - 0 0 19 -2,-0.7 2,-2.6 1,-0.1 3,-0.1 -0.768 8.7-149.6 -88.7 104.5 104.8 59.0 9.9 35 35 A D >> - 0 0 69 -2,-0.9 4,-1.9 1,-0.2 3,-1.5 -0.440 16.8-171.6 -74.8 72.7 106.2 55.8 8.4 36 36 A V H 3> S+ 0 0 38 -2,-2.6 4,-2.8 1,-0.3 5,-0.2 0.757 77.6 58.1 -34.7 -46.6 106.9 57.5 5.1 37 37 A D H 3> S+ 0 0 129 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.919 111.2 41.9 -55.5 -46.1 107.9 54.2 3.4 38 38 A A H <> S+ 0 0 5 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.860 112.6 54.9 -68.0 -38.6 104.5 52.6 4.2 39 39 A L H X S+ 0 0 6 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.902 106.0 51.4 -62.8 -41.8 102.7 55.9 3.3 40 40 A S H X S+ 0 0 26 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.860 107.6 53.3 -64.9 -34.7 104.3 55.9 -0.1 41 41 A D H X S+ 0 0 79 -4,-1.3 4,-2.6 -5,-0.2 -1,-0.2 0.892 108.8 49.5 -65.1 -39.8 103.1 52.3 -0.6 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.924 111.4 48.4 -64.4 -46.6 99.6 53.3 0.2 43 43 A F H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.926 114.1 46.5 -61.3 -44.4 99.7 56.3 -2.2 44 44 A D H X S+ 0 0 55 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.892 113.4 49.1 -64.4 -40.1 101.1 54.0 -4.9 45 45 A A H X S+ 0 0 2 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.910 110.4 51.2 -64.8 -43.8 98.4 51.3 -4.1 46 46 A L H >X S+ 0 0 1 -4,-3.0 3,-1.8 1,-0.2 4,-1.3 0.961 107.3 52.9 -57.6 -54.0 95.7 53.9 -4.3 47 47 A L H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.3 7,-0.2 0.810 105.0 55.5 -54.0 -31.5 96.9 55.2 -7.7 48 48 A E H 3< S+ 0 0 92 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.743 106.4 51.1 -75.5 -19.3 96.7 51.7 -9.0 49 49 A T H << S+ 0 0 7 -3,-1.8 98,-2.4 -4,-0.9 -1,-0.2 0.718 121.8 32.2 -86.2 -20.9 93.1 51.5 -8.0 50 50 A H >< + 0 0 11 -4,-1.3 3,-1.9 96,-0.2 4,-0.3 -0.505 68.9 170.2-132.6 62.8 92.3 54.7 -9.7 51 51 A P G > + 0 0 51 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.566 68.9 75.2 -54.9 -6.1 94.7 54.8 -12.7 52 52 A V G 3 S+ 0 0 9 1,-0.2 3,-0.1 95,-0.2 18,-0.1 0.892 82.1 67.3 -72.6 -37.9 92.8 57.8 -14.1 53 53 A L G < S+ 0 0 5 -3,-1.9 2,-1.3 1,-0.3 40,-0.6 0.696 84.8 78.1 -53.5 -19.0 94.5 60.1 -11.5 54 54 A A S < S+ 0 0 3 -3,-0.7 16,-2.3 -4,-0.3 -1,-0.3 -0.325 87.4 73.7 -89.3 55.2 97.7 59.3 -13.4 55 55 A S E -B 69 0A 1 -2,-1.3 38,-0.5 14,-0.2 2,-0.3 -0.775 60.4-142.6-147.2-167.8 96.9 61.8 -16.2 56 56 A H E -B 68 0A 16 12,-2.1 12,-3.1 -2,-0.2 2,-0.3 -0.924 25.8 -97.9-154.9 173.7 96.7 65.4 -17.2 57 57 A L E -B 67 0A 2 32,-1.9 2,-0.4 -2,-0.3 10,-0.2 -0.814 25.5-176.3-108.0 145.1 94.7 67.7 -19.4 58 58 A E E -B 66 0A 92 8,-2.4 8,-3.6 -2,-0.3 2,-0.7 -0.986 28.3-126.5-138.3 121.6 95.3 68.9 -23.0 59 59 A Q E -B 65 0A 144 -2,-0.4 6,-0.3 6,-0.3 4,-0.1 -0.599 31.6-137.6 -74.3 113.6 93.1 71.4 -24.7 60 60 A S > - 0 0 17 4,-2.2 3,-0.8 -2,-0.7 -1,-0.1 -0.146 21.2-110.0 -65.5 162.4 92.0 69.8 -28.0 61 61 A S T 3 S+ 0 0 129 1,-0.3 2,-0.9 2,-0.1 -1,-0.1 0.854 116.4 70.8 -59.9 -34.0 91.9 71.7 -31.3 62 62 A D T 3 S- 0 0 128 1,-0.1 2,-1.3 2,-0.0 -1,-0.3 -0.057 119.4-107.6 -75.9 34.2 88.1 71.3 -30.9 63 63 A G S < S+ 0 0 62 -2,-0.9 -1,-0.1 -3,-0.8 -2,-0.1 0.128 89.6 107.4 63.8 -27.2 88.1 73.8 -28.0 64 64 A G S S- 0 0 3 -2,-1.3 -4,-2.2 -5,-0.1 2,-0.4 -0.119 71.7-106.7 -76.8 176.7 87.4 70.9 -25.6 65 65 A W E - B 0 59A 29 -55,-0.3 -55,-2.8 -6,-0.3 2,-0.4 -0.902 22.2-150.9-112.5 134.0 89.7 69.3 -23.1 66 66 A N E -AB 9 58A 32 -8,-3.6 -8,-2.4 -2,-0.4 2,-0.8 -0.810 10.3-142.9-102.2 139.6 91.3 65.9 -23.3 67 67 A L E -AB 8 57A 2 -59,-1.9 -60,-3.0 -2,-0.4 -59,-1.0 -0.912 28.5-165.5 -97.7 111.3 92.2 63.8 -20.4 68 68 A V E -AB 6 56A 2 -12,-3.1 -12,-2.1 -2,-0.8 -62,-0.2 -0.852 16.2-118.3-104.1 139.4 95.5 62.2 -21.6 69 69 A A E - B 0 55A 7 -64,-3.0 -65,-2.9 -2,-0.4 -14,-0.2 -0.465 29.6-176.0 -81.0 148.0 97.0 59.3 -19.8 70 70 A D - 0 0 29 -16,-2.3 2,-0.3 -67,-0.3 -16,-0.1 -0.447 30.4 -87.4-119.8-164.5 100.4 59.2 -18.1 71 71 A D - 0 0 67 -2,-0.2 4,-0.4 1,-0.1 3,-0.3 -0.746 15.4-142.6-109.3 156.6 102.5 56.6 -16.3 72 72 A L S S+ 0 0 69 -2,-0.3 -1,-0.1 1,-0.2 -25,-0.1 0.572 90.0 82.9 -94.5 -9.7 102.4 55.7 -12.7 73 73 A L S S+ 0 0 169 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.673 94.8 44.5 -66.9 -16.6 106.2 55.3 -12.5 74 74 A H S S+ 0 0 94 -3,-0.3 2,-0.6 1,-0.0 -1,-0.2 0.785 90.8 90.0 -98.5 -30.9 106.6 59.0 -12.0 75 75 A S + 0 0 12 -4,-0.4 2,-0.3 -31,-0.0 20,-0.1 -0.560 53.0 140.2 -74.6 112.8 103.8 59.7 -9.4 76 76 A G - 0 0 41 -2,-0.6 20,-0.4 1,-0.1 -36,-0.0 -0.906 53.7 -80.7-142.8 168.6 105.2 59.3 -5.9 77 77 A I - 0 0 31 -2,-0.3 2,-0.4 18,-0.1 20,-0.2 -0.130 34.8-137.6 -67.0 170.3 104.9 61.1 -2.6 78 78 A C E -e 97 0B 58 18,-1.7 20,-1.8 2,-0.0 2,-0.3 -0.858 16.8-163.5-136.9 98.8 106.8 64.2 -1.8 79 79 A V E -e 98 0B 62 -2,-0.4 2,-0.3 18,-0.2 20,-0.2 -0.622 10.7-178.8 -85.4 140.0 108.3 64.5 1.6 80 80 A I E e 99 0B 44 18,-2.6 20,-2.8 -2,-0.3 -2,-0.0 -0.953 360.0 360.0-137.0 156.8 109.5 67.8 3.1 81 81 A D 0 0 159 -2,-0.3 -1,-0.1 18,-0.2 18,-0.0 0.729 360.0 360.0-118.1 360.0 111.1 69.1 6.3 82 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 83 94 A A 0 0 141 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -73.7 104.6 77.8 -1.5 84 95 A E + 0 0 167 1,-0.1 2,-0.2 2,-0.0 0, 0.0 0.970 360.0 76.9 51.7 65.3 107.3 75.4 -2.9 85 96 A L - 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