==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAR-09 2WDO . COMPND 2 MOLECULE: HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR P.DALL'AGLIO,C.ARTHUR,M.P.CRUMP,J.CROSBY,A.T.HADFIELD . 123 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 68.3 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 . 29 23.6 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 0 0 0 0 2 0 0 0 0 0 0 1 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 1 0 0 0 2 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 . 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 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 0 146 0, 0.0 2,-0.3 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 152.2 -16.5 12.2 46.6 2 2 A S - 0 0 72 121,-2.6 121,-2.5 0, 0.0 2,-0.3 -0.911 360.0 -82.8-134.5 166.3 -14.9 8.8 47.1 3 3 A I E -A 122 0A 118 -2,-0.3 119,-0.3 119,-0.2 3,-0.1 -0.598 38.0-179.3 -70.8 130.1 -13.3 6.3 44.8 4 4 A I E - 0 0 59 117,-2.9 2,-0.3 1,-0.4 118,-0.2 0.694 62.3 -17.8 -98.8 -37.5 -15.9 4.1 43.0 5 5 A G E -A 121 0A 12 116,-1.7 116,-2.8 2,-0.0 -1,-0.4 -0.981 49.3-148.5-166.0 158.7 -13.6 1.9 41.0 6 6 A V E -A 120 0A 97 -2,-0.3 2,-0.4 114,-0.2 114,-0.2 -0.978 14.2-172.8-131.0 146.7 -10.2 1.3 39.6 7 7 A G E -A 119 0A 4 112,-2.5 112,-2.5 -2,-0.3 2,-0.3 -0.995 6.0-176.9-134.4 142.8 -9.1 -0.4 36.5 8 8 A I E +A 118 0A 109 -2,-0.4 2,-0.3 110,-0.2 110,-0.2 -0.989 7.0 178.8-128.9 150.1 -5.7 -1.4 35.0 9 9 A D E -A 117 0A 24 108,-1.9 108,-1.9 -2,-0.3 2,-0.4 -0.978 12.0-166.7-150.6 139.1 -5.1 -3.1 31.6 10 10 A V E -A 116 0A 88 -2,-0.3 2,-0.4 106,-0.2 106,-0.2 -0.997 14.5-173.9-127.7 122.0 -1.9 -4.2 29.8 11 11 A A E -A 115 0A 14 104,-2.9 104,-2.9 -2,-0.4 2,-0.6 -0.943 27.0-123.2-120.1 141.8 -2.2 -5.1 26.1 12 12 A E E > -A 114 0A 96 -2,-0.4 4,-2.0 102,-0.2 102,-0.2 -0.743 19.8-150.1 -81.8 121.9 0.4 -6.6 23.8 13 13 A V H > S+ 0 0 16 100,-1.7 4,-2.9 -2,-0.6 5,-0.2 0.922 92.8 51.4 -60.8 -49.5 0.7 -4.2 20.8 14 14 A E H > S+ 0 0 153 99,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.934 111.5 47.6 -53.0 -52.5 1.7 -6.8 18.2 15 15 A R H > S+ 0 0 189 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.881 112.6 49.8 -56.1 -42.8 -1.3 -9.0 19.1 16 16 A F H X S+ 0 0 16 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.937 110.0 49.3 -65.8 -46.0 -3.7 -6.0 19.0 17 17 A G H X S+ 0 0 10 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.848 109.6 53.0 -59.2 -37.7 -2.4 -4.9 15.6 18 18 A A H X S+ 0 0 49 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.879 106.1 53.2 -66.3 -38.8 -2.9 -8.5 14.3 19 19 A A H X S+ 0 0 39 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.930 110.4 48.1 -60.5 -42.7 -6.4 -8.4 15.6 20 20 A L H < S+ 0 0 27 -4,-2.0 7,-0.3 1,-0.2 6,-0.2 0.851 113.0 46.4 -65.3 -38.2 -7.0 -5.2 13.6 21 21 A E H < S+ 0 0 163 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 109.1 56.2 -74.8 -34.4 -5.5 -6.5 10.4 22 22 A R H < S+ 0 0 213 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.799 117.2 31.0 -66.6 -31.6 -7.4 -9.8 10.7 23 23 A T >< - 0 0 64 -4,-1.2 3,-2.6 -5,-0.1 4,-0.4 -0.852 68.1-164.0-135.0 92.9 -10.9 -8.2 10.8 24 24 A P T > S+ 0 0 116 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.827 89.8 56.1 -50.3 -37.9 -11.2 -4.9 8.9 25 25 A A T 3> S+ 0 0 59 1,-0.2 4,-1.0 2,-0.1 3,-0.2 0.620 87.1 85.0 -67.6 -13.2 -14.5 -3.9 10.7 26 26 A L H X> S+ 0 0 35 -3,-2.6 4,-1.8 -6,-0.2 3,-0.8 0.891 82.1 54.4 -60.7 -46.7 -12.8 -4.3 14.2 27 27 A A H <> S+ 0 0 18 -3,-0.6 4,-2.2 -4,-0.4 3,-0.2 0.908 109.7 47.8 -55.8 -43.4 -11.3 -0.8 14.4 28 28 A G H 34 S+ 0 0 46 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.665 109.9 54.3 -72.9 -18.9 -14.6 0.9 13.8 29 29 A R H << S+ 0 0 128 -4,-1.0 43,-0.3 -3,-0.8 42,-0.2 0.822 117.4 34.3 -76.9 -35.8 -16.2 -1.4 16.4 30 30 A L H < S+ 0 0 8 -4,-1.8 2,-0.3 -3,-0.2 -2,-0.2 0.761 119.6 44.3 -91.3 -27.1 -13.8 -0.4 19.1 31 31 A F < - 0 0 2 -4,-2.2 2,-0.2 -5,-0.2 41,-0.1 -0.912 69.2-126.8-133.0 140.3 -13.1 3.3 18.2 32 32 A L >> - 0 0 45 -2,-0.3 4,-1.0 42,-0.2 3,-1.0 -0.484 41.4-106.3 -73.0 154.2 -14.9 6.5 17.2 33 33 A E G >4 S+ 0 0 143 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.867 120.7 57.7 -49.5 -39.4 -13.6 8.2 14.1 34 34 A S G >4 S+ 0 0 64 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.832 102.6 53.4 -63.7 -33.6 -12.0 10.9 16.3 35 35 A E G <4 S+ 0 0 3 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.743 100.6 61.2 -73.4 -23.3 -9.9 8.3 18.2 36 36 A L G << S+ 0 0 11 -4,-1.0 8,-3.0 -3,-0.7 2,-0.3 0.530 98.9 72.4 -83.5 -4.3 -8.5 6.9 14.9 37 37 A L B < S-C 43 0B 67 -3,-0.9 6,-0.2 -4,-0.4 5,-0.1 -0.868 75.8-129.3-115.4 143.9 -6.9 10.2 14.1 38 38 A L - 0 0 57 4,-3.2 3,-0.4 -2,-0.3 6,-0.1 -0.523 43.6 -98.7 -76.6 154.8 -4.0 12.2 15.4 39 39 A P S S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.779 125.6 50.7 -48.5 -33.8 -4.7 15.9 16.3 40 40 A G S S- 0 0 61 2,-0.0 -3,-0.0 1,-0.0 0, 0.0 0.938 124.6 -98.2 -67.5 -51.6 -3.2 16.9 12.9 41 41 A G S S+ 0 0 43 -3,-0.4 3,-0.1 1,-0.3 2,-0.0 0.252 79.3 128.0 145.6 -9.0 -5.3 14.5 10.8 42 42 A E S S- 0 0 109 1,-0.1 -4,-3.2 -5,-0.1 2,-0.3 -0.305 71.1 -91.2 -67.4 155.0 -2.9 11.5 10.2 43 43 A R B -C 37 0B 172 -6,-0.2 -6,-0.3 1,-0.1 -1,-0.1 -0.561 45.7-112.1 -72.2 130.5 -4.2 8.0 11.1 44 44 A R - 0 0 32 -8,-3.0 -1,-0.1 -2,-0.3 2,-0.0 -0.383 35.2-117.0 -63.9 138.9 -3.3 7.0 14.6 45 45 A G > - 0 0 43 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.250 22.7-104.3 -78.4 165.2 -0.7 4.2 14.9 46 46 A V H > S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.829 115.2 52.4 -62.1 -38.3 -1.2 0.8 16.4 47 47 A A H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 111.9 46.6 -66.6 -41.7 0.6 1.3 19.8 48 48 A S H > S+ 0 0 17 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.898 113.9 49.3 -67.7 -38.3 -1.4 4.4 20.5 49 49 A L H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.897 107.4 53.6 -63.8 -41.8 -4.6 2.6 19.6 50 50 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.890 107.1 53.7 -61.8 -36.9 -3.6 -0.4 21.8 51 51 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.846 108.3 48.2 -65.3 -36.3 -3.2 2.1 24.7 52 52 A R H X S+ 0 0 13 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.843 110.0 52.6 -71.8 -33.4 -6.8 3.4 24.0 53 53 A F H X S+ 0 0 39 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.951 109.0 50.0 -61.5 -47.4 -8.1 -0.2 23.9 54 54 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.875 108.0 54.4 -58.7 -40.7 -6.4 -0.7 27.3 55 55 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.932 108.5 48.0 -57.4 -47.5 -8.1 2.5 28.6 56 56 A K H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.885 112.9 47.7 -65.0 -34.0 -11.5 1.1 27.6 57 57 A E H X S+ 0 0 59 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.935 113.2 48.8 -67.2 -45.7 -10.8 -2.2 29.3 58 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.905 111.5 49.4 -59.3 -43.3 -9.5 -0.4 32.4 59 59 A L H X S+ 0 0 3 -4,-3.0 4,-1.2 2,-0.2 -1,-0.2 0.924 110.3 51.0 -62.2 -42.9 -12.7 1.8 32.3 60 60 A A H ><>S+ 0 0 20 -4,-2.3 5,-3.2 1,-0.2 3,-0.9 0.949 109.3 51.3 -58.5 -44.8 -14.8 -1.3 32.0 61 61 A K H ><5S+ 0 0 100 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.884 104.8 55.2 -60.3 -41.7 -13.0 -2.9 34.9 62 62 A A H 3<5S+ 0 0 5 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.752 110.1 48.4 -66.1 -23.4 -13.6 0.2 37.1 63 63 A L T <<5S- 0 0 1 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.334 124.0-102.1 -94.6 4.6 -17.3 -0.2 36.4 64 64 A G T < 5 - 0 0 53 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.711 49.5-100.2 82.7 19.0 -17.4 -3.9 37.2 65 65 A A < - 0 0 64 -5,-3.2 -1,-0.2 -6,-0.2 -4,-0.1 0.777 57.9-177.8 32.2 58.5 -17.5 -4.9 33.5 66 66 A P > - 0 0 40 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.266 30.6 -93.3 -74.0 166.9 -21.2 -5.6 33.2 67 67 A A T 3 S+ 0 0 101 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 -0.368 99.8 46.4 -70.9 159.4 -22.9 -6.8 30.0 68 68 A G T 3 S+ 0 0 62 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.528 72.2 135.8 91.6 8.3 -24.4 -4.4 27.5 69 69 A L < - 0 0 48 -3,-0.5 2,-0.4 22,-0.1 -1,-0.3 -0.745 43.0-142.8 -93.3 139.7 -21.7 -1.8 27.2 70 70 A L > - 0 0 93 -2,-0.4 3,-1.6 1,-0.1 22,-0.2 -0.801 10.1-141.8-101.4 135.7 -20.6 -0.4 23.8 71 71 A W G > S+ 0 0 81 -2,-0.4 3,-1.3 1,-0.3 -39,-0.2 0.827 104.9 57.6 -59.0 -32.7 -16.9 0.4 23.0 72 72 A T G 3 S+ 0 0 45 -43,-0.3 -1,-0.3 1,-0.3 -42,-0.1 0.464 91.4 70.8 -81.7 -0.8 -18.1 3.5 21.1 73 73 A D G < S+ 0 0 25 -3,-1.6 16,-2.7 16,-0.1 2,-0.4 0.286 93.8 64.1 -94.8 4.0 -19.8 4.8 24.3 74 74 A A E < S-D 88 0C 6 -3,-1.3 2,-0.4 14,-0.2 14,-0.2 -0.999 70.3-172.1-122.9 133.6 -16.4 5.5 25.8 75 75 A E E -D 87 0C 32 12,-2.6 12,-2.4 -2,-0.4 2,-0.6 -0.990 17.7-153.0-130.9 127.5 -14.2 8.0 24.1 76 76 A V E +D 86 0C 5 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.878 27.3 175.5 -90.8 118.2 -10.6 8.9 24.8 77 77 A W E -D 85 0C 70 8,-2.3 8,-2.8 -2,-0.6 2,-0.4 -0.693 21.9-127.8-118.0 177.3 -10.0 12.6 23.7 78 78 A V E -D 84 0C 55 6,-0.2 5,-0.1 -2,-0.2 -2,-0.0 -0.987 11.9-132.8-138.1 124.1 -6.9 14.8 24.1 79 79 A E > - 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