==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 09-MAR-06 2CGQ . COMPND 2 MOLECULE: ACYL CARRIER PROTEIN ACPA; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Q.MA,M.WILMANNS . 74 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 66.2 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 . 2 2.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 4.1 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 1 0 0 0 1 0 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 . 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 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 0 A A > 0 0 96 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -73.3 3.8 5.5 18.6 2 1 A M H > + 0 0 48 2,-0.2 4,-2.2 1,-0.1 5,-0.2 0.890 360.0 49.0 -59.4 -45.3 4.7 6.5 22.1 3 2 A E H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.896 107.3 52.7 -63.5 -41.6 8.0 7.2 20.5 4 3 A E H > S+ 0 0 144 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 110.3 49.1 -60.6 -41.6 6.5 9.2 17.6 5 4 A A H X S+ 0 0 26 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.888 110.3 49.6 -64.4 -40.5 4.6 11.4 20.1 6 5 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.930 111.1 50.5 -66.2 -40.9 7.8 12.0 22.1 7 6 A N H X S+ 0 0 30 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.915 108.5 51.8 -59.8 -44.8 9.6 13.0 18.9 8 7 A A H X S+ 0 0 49 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.895 110.6 48.3 -59.0 -41.7 6.8 15.4 18.0 9 8 A T H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.914 111.5 50.1 -65.7 -46.0 7.0 17.0 21.5 10 9 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.947 113.0 46.8 -54.5 -48.9 10.8 17.3 21.1 11 10 A Q H X>S+ 0 0 56 -4,-3.0 5,-1.6 2,-0.2 4,-1.1 0.884 110.2 52.3 -60.9 -40.3 10.3 18.9 17.7 12 11 A R H <5S+ 0 0 139 -4,-2.4 3,-0.5 2,-0.2 -2,-0.2 0.953 112.3 46.0 -62.0 -49.1 7.7 21.3 18.9 13 12 A I H <5S+ 0 0 9 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.905 120.1 38.1 -61.3 -42.2 10.0 22.5 21.8 14 13 A L H <5S- 0 0 25 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.560 102.5-131.1 -86.5 -7.9 13.0 22.9 19.6 15 14 A R T <5 + 0 0 229 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.938 63.3 126.9 53.4 51.7 11.0 24.2 16.6 16 15 A T < - 0 0 41 -5,-1.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.912 56.6-156.4-133.7 157.3 12.7 21.8 14.1 17 16 A D + 0 0 150 -2,-0.3 3,-0.1 -3,-0.1 -6,-0.1 0.221 55.3 129.3-110.6 5.9 11.6 19.2 11.6 18 17 A R S S- 0 0 110 1,-0.1 -2,-0.1 -7,-0.1 2,-0.1 -0.301 70.3 -95.6 -58.9 146.9 14.9 17.3 11.8 19 18 A G - 0 0 55 1,-0.0 2,-0.5 -8,-0.0 -1,-0.1 -0.354 36.2-142.5 -63.6 141.8 14.6 13.6 12.4 20 19 A I - 0 0 14 -3,-0.1 2,-0.3 -2,-0.1 -13,-0.1 -0.934 21.0-179.8-111.7 128.2 14.8 12.5 16.0 21 20 A T > - 0 0 67 -2,-0.5 3,-1.9 1,-0.0 42,-0.4 -0.936 39.0-113.9-132.2 154.1 16.6 9.2 17.0 22 21 A A T 3 S+ 0 0 47 -2,-0.3 42,-2.5 1,-0.3 43,-0.3 0.697 110.9 58.6 -61.0 -24.7 17.2 7.4 20.2 23 22 A N T 3 S+ 0 0 118 40,-0.2 -1,-0.3 39,-0.1 2,-0.1 0.630 78.3 116.2 -77.9 -14.0 21.0 7.9 20.1 24 23 A Q < - 0 0 20 -3,-1.9 39,-2.6 1,-0.1 2,-0.5 -0.366 65.7-132.6 -67.3 127.1 20.8 11.7 20.0 25 24 A V B >> -A 62 0A 42 37,-0.2 4,-2.2 1,-0.1 5,-1.5 -0.702 15.2-139.2 -75.1 123.2 22.4 13.5 22.9 26 25 A L T 45S+ 0 0 3 35,-2.4 6,-2.5 -2,-0.5 4,-0.5 0.924 96.9 27.8 -58.1 -47.7 19.8 16.1 24.0 27 26 A V T >5S+ 0 0 75 34,-0.4 4,-1.6 4,-0.3 -1,-0.2 0.992 127.5 38.8 -74.1 -63.2 22.3 18.9 24.6 28 27 A D T 45S+ 0 0 130 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.830 130.4 25.5 -65.5 -37.9 25.2 18.0 22.3 29 28 A D T <5S+ 0 0 75 -4,-2.2 -3,-0.2 1,-0.1 -1,-0.2 0.852 132.9 29.2 -92.8 -42.3 23.2 16.9 19.3 30 29 A L T 4 - 0 0 76 -2,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.617 43.4 -84.1-121.1-177.1 19.5 23.9 27.2 34 33 A S H > S+ 0 0 103 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.911 128.1 49.0 -62.6 -40.0 18.2 23.9 30.8 35 34 A L H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 113.2 47.0 -61.9 -48.7 14.9 25.8 29.9 36 35 A K H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.854 110.6 52.2 -70.2 -29.8 14.2 23.4 27.0 37 36 A L H X S+ 0 0 51 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.894 109.1 50.3 -68.0 -38.9 14.9 20.4 29.1 38 37 A F H X S+ 0 0 137 -4,-2.0 4,-2.2 -5,-0.2 5,-0.3 0.899 110.7 50.2 -61.2 -43.8 12.5 21.7 31.8 39 38 A Q H X S+ 0 0 64 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.918 109.4 51.8 -58.6 -45.7 9.9 22.2 29.0 40 39 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.947 111.9 44.1 -58.8 -49.9 10.5 18.6 27.8 41 40 A I H X S+ 0 0 23 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.958 118.9 42.2 -60.7 -50.4 10.0 17.0 31.2 42 41 A T H X S+ 0 0 41 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.910 112.8 53.1 -68.0 -43.9 6.9 19.1 32.1 43 42 A E H X S+ 0 0 48 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.904 112.1 46.3 -53.9 -46.6 5.3 18.8 28.6 44 43 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 -5,-0.3 6,-0.4 0.919 109.5 53.6 -66.4 -39.8 5.6 15.0 28.8 45 44 A E H X>S+ 0 0 51 -4,-2.6 5,-1.4 1,-0.2 4,-1.1 0.945 116.5 39.3 -58.0 -43.3 4.3 14.9 32.3 46 45 A D H <5S+ 0 0 142 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.876 116.8 50.0 -71.6 -40.4 1.2 16.8 31.1 47 46 A E H <5S+ 0 0 89 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.888 124.8 27.1 -65.3 -42.4 0.9 15.0 27.8 48 47 A F H <5S- 0 0 38 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.502 103.1-122.1-102.3 -2.1 1.1 11.5 29.2 49 48 A D T <5S+ 0 0 149 -4,-1.1 2,-0.2 -5,-0.3 -3,-0.2 0.940 71.0 126.7 52.0 53.1 -0.3 12.3 32.7 50 49 A I < - 0 0 15 -5,-1.4 2,-0.4 -6,-0.4 -1,-0.2 -0.693 54.9-130.6-124.9 177.8 2.8 10.9 34.3 51 50 A A - 0 0 57 -2,-0.2 2,-0.4 -3,-0.1 -9,-0.0 -0.998 11.7-162.5-134.1 137.5 5.4 12.1 36.8 52 51 A I - 0 0 20 -2,-0.4 -7,-0.0 -11,-0.1 18,-0.0 -0.974 25.2-120.8-121.3 131.3 9.2 12.0 36.4 53 52 A S > - 0 0 57 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.300 19.0-121.0 -69.3 156.7 11.4 12.3 39.4 54 53 A F H > S+ 0 0 162 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.916 115.1 55.2 -60.8 -40.7 13.9 15.1 39.6 55 54 A R H > S+ 0 0 171 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.919 109.9 44.4 -60.8 -46.3 16.6 12.5 39.9 56 55 A D H > S+ 0 0 85 2,-0.2 4,-0.7 1,-0.2 3,-0.2 0.936 112.2 52.3 -64.7 -43.0 15.5 10.7 36.7 57 56 A A H >< S+ 0 0 25 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.911 107.8 53.2 -57.7 -46.3 15.2 14.0 34.9 58 57 A Q H 3< S+ 0 0 119 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.847 109.4 49.4 -46.1 -46.6 18.7 14.9 35.9 59 58 A N H 3< S+ 0 0 95 -4,-1.6 2,-0.4 -3,-0.2 -1,-0.2 0.485 81.1 112.0 -83.2 -8.5 20.0 11.7 34.5 60 59 A I << + 0 0 19 -3,-1.1 3,-0.1 -4,-0.7 -3,-0.0 -0.576 28.1 152.2 -70.5 123.2 18.3 11.9 31.1 61 60 A K + 0 0 126 -2,-0.4 -35,-2.4 1,-0.2 -34,-0.4 0.701 54.5 38.1-119.3 -41.7 21.1 12.4 28.5 62 61 A T B >> S-A 25 0A 34 -37,-0.3 4,-1.6 -36,-0.1 3,-0.6 -0.770 81.4-108.7-111.0 165.2 19.8 10.9 25.2 63 62 A V H 3> S+ 0 0 0 -39,-2.6 4,-2.2 -42,-0.4 3,-0.2 0.903 120.6 58.4 -53.2 -45.0 16.5 10.7 23.3 64 63 A G H 3> S+ 0 0 14 -42,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.859 100.3 55.0 -54.9 -37.4 16.4 7.0 24.2 65 64 A D H <> S+ 0 0 56 -3,-0.6 4,-2.0 -43,-0.3 -1,-0.2 0.885 106.7 52.4 -65.2 -38.2 16.6 7.9 28.0 66 65 A V H X S+ 0 0 1 -4,-1.6 4,-1.8 -3,-0.2 5,-0.2 0.945 108.6 50.8 -61.4 -46.8 13.4 10.1 27.4 67 66 A Y H X S+ 0 0 14 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.924 111.8 45.5 -56.7 -44.7 11.7 7.1 25.7 68 67 A T H X S+ 0 0 84 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.847 107.7 58.7 -76.7 -25.5 12.4 4.7 28.6 69 68 A S H < S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.875 115.7 35.4 -67.2 -37.7 11.4 7.4 31.2 70 69 A V H >< S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.2 4,-0.3 0.859 109.7 64.6 -79.0 -41.8 7.9 7.5 29.6 71 70 A A H >< S+ 0 0 42 -4,-2.9 3,-1.6 1,-0.3 -2,-0.2 0.758 88.5 68.9 -53.2 -30.2 7.8 3.7 28.7 72 71 A V T 3< S+ 0 0 116 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.775 96.6 54.1 -62.9 -22.9 7.9 2.8 32.4 73 72 A W T < 0 0 129 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.552 360.0 360.0 -86.3 -6.9 4.3 4.2 32.7 74 73 A F < 0 0 157 -3,-1.6 -3,-0.0 -4,-0.3 0, 0.0 -0.441 360.0 360.0-134.8 360.0 3.0 2.1 29.8