==== 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 26-MAR-09 2WDS . 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) . 6884.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 69.1 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 . 16 13.0 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 0 148 0, 0.0 2,-0.3 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 157.3 -30.6 1.7 28.5 2 2 A S - 0 0 75 121,-2.9 121,-2.6 0, 0.0 2,-0.3 -0.874 360.0 -85.7-133.1 168.1 -27.1 3.1 28.9 3 3 A I E -A 122 0A 122 -2,-0.3 119,-0.3 119,-0.2 3,-0.1 -0.637 36.7-178.9 -74.9 132.8 -24.6 4.8 26.6 4 4 A I E - 0 0 52 117,-3.1 2,-0.3 1,-0.4 118,-0.2 0.750 62.4 -16.6-100.8 -34.7 -22.4 2.2 24.8 5 5 A G E -A 121 0A 13 116,-1.6 116,-2.8 2,-0.0 -1,-0.4 -0.984 49.1-149.7-165.9 157.1 -20.2 4.5 22.8 6 6 A V E -A 120 0A 94 -2,-0.3 2,-0.3 114,-0.2 114,-0.2 -0.964 14.6-170.9-128.3 147.7 -19.7 8.0 21.5 7 7 A G E -A 119 0A 3 112,-2.4 112,-2.4 -2,-0.3 2,-0.3 -0.997 5.0-176.0-135.9 145.1 -17.9 9.1 18.3 8 8 A I E +A 118 0A 110 -2,-0.3 2,-0.3 110,-0.2 110,-0.2 -0.983 6.0 179.4-132.3 146.7 -16.9 12.4 16.9 9 9 A D E -A 117 0A 25 108,-1.9 108,-2.0 -2,-0.3 2,-0.4 -0.975 13.5-164.7-149.5 140.1 -15.2 13.2 13.5 10 10 A V E -A 116 0A 85 -2,-0.3 2,-0.4 106,-0.2 106,-0.2 -0.991 13.4-169.9-119.2 128.1 -14.1 16.3 11.8 11 11 A A E -A 115 0A 8 104,-3.1 104,-2.5 -2,-0.4 2,-0.5 -0.980 23.9-128.7-124.5 127.3 -13.3 16.1 8.0 12 12 A E E > -A 114 0A 97 -2,-0.4 4,-1.9 102,-0.2 102,-0.2 -0.632 21.2-149.4 -71.6 119.8 -11.7 18.8 5.9 13 13 A V H > S+ 0 0 21 100,-2.4 4,-2.7 -2,-0.5 5,-0.2 0.920 89.8 50.5 -60.9 -49.6 -14.0 19.3 3.0 14 14 A E H > S+ 0 0 161 99,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.911 112.3 47.9 -58.1 -46.1 -11.5 20.3 0.3 15 15 A R H > S+ 0 0 178 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.871 110.8 51.5 -62.7 -40.1 -9.3 17.3 1.0 16 16 A F H X S+ 0 0 15 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.936 110.1 49.1 -63.2 -46.9 -12.2 14.9 1.0 17 17 A G H X S+ 0 0 16 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.895 108.9 53.1 -57.2 -42.5 -13.3 16.2 -2.4 18 18 A A H X S+ 0 0 59 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.886 107.2 51.9 -61.9 -39.3 -9.8 15.8 -3.7 19 19 A A H X S+ 0 0 40 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.913 109.5 49.3 -63.8 -42.8 -9.7 12.2 -2.6 20 20 A L H < S+ 0 0 28 -4,-2.0 7,-0.3 1,-0.2 6,-0.2 0.874 112.7 47.9 -62.7 -39.0 -13.0 11.5 -4.4 21 21 A E H < S+ 0 0 170 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 107.8 55.8 -69.3 -39.6 -11.7 13.1 -7.6 22 22 A R H < S+ 0 0 221 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.840 115.7 34.0 -63.9 -37.4 -8.4 11.2 -7.5 23 23 A T >< - 0 0 60 -4,-1.5 3,-2.2 1,-0.1 4,-0.5 -0.897 66.4-161.5-126.8 100.4 -10.0 7.7 -7.4 24 24 A P T > S+ 0 0 120 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.828 92.0 55.7 -48.4 -37.1 -13.3 7.3 -9.3 25 25 A A T 3> S+ 0 0 47 1,-0.2 4,-1.0 2,-0.1 3,-0.2 0.624 85.8 83.6 -71.6 -17.0 -14.1 4.1 -7.3 26 26 A L H X> S+ 0 0 37 -3,-2.2 4,-1.9 -6,-0.2 3,-0.9 0.895 83.6 55.1 -60.0 -46.0 -13.8 5.8 -3.9 27 27 A A H <> S+ 0 0 26 -3,-0.5 4,-2.4 -4,-0.5 -1,-0.2 0.907 109.8 47.9 -54.8 -42.7 -17.4 7.2 -3.8 28 28 A G H 34 S+ 0 0 49 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.676 109.4 53.9 -74.2 -18.4 -18.9 3.8 -4.4 29 29 A R H << S+ 0 0 146 -4,-1.0 43,-0.3 -3,-0.9 42,-0.3 0.814 118.5 33.8 -78.9 -34.3 -16.7 2.2 -1.7 30 30 A L H < S+ 0 0 9 -4,-1.9 2,-0.4 -3,-0.2 -2,-0.2 0.780 118.9 43.8 -90.8 -31.5 -17.8 4.7 1.0 31 31 A F < - 0 0 3 -4,-2.4 41,-0.1 -5,-0.2 -1,-0.1 -0.925 68.5-127.5-129.3 140.6 -21.4 5.4 0.1 32 32 A L >> - 0 0 46 -2,-0.4 4,-1.0 42,-0.2 3,-0.9 -0.458 41.7-105.6 -72.3 155.8 -24.6 3.6 -1.0 33 33 A E G >4 S+ 0 0 151 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.867 120.8 56.8 -50.5 -41.7 -26.3 4.9 -4.1 34 34 A S G >4 S+ 0 0 62 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.841 102.4 54.9 -60.9 -35.4 -29.0 6.5 -2.0 35 35 A E G <4 S+ 0 0 2 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.740 99.7 61.4 -70.4 -25.0 -26.5 8.5 -0.0 36 36 A L G << S+ 0 0 17 -4,-1.0 8,-2.8 -3,-0.8 2,-0.3 0.507 98.3 72.9 -81.8 -4.2 -25.0 10.0 -3.2 37 37 A L B < S-C 43 0B 64 -3,-1.1 6,-0.2 -4,-0.3 5,-0.1 -0.856 74.9-130.8-115.2 145.7 -28.4 11.6 -4.1 38 38 A L > - 0 0 52 4,-3.1 3,-2.3 -2,-0.3 6,-0.1 -0.483 43.2 -96.4 -79.2 160.7 -30.3 14.6 -2.7 39 39 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.820 126.2 49.7 -48.3 -37.3 -34.1 14.0 -1.9 40 40 A G T 3 S- 0 0 67 2,-0.0 -3,-0.0 1,-0.0 0, 0.0 0.451 124.5 -99.9 -85.3 -3.5 -35.1 15.4 -5.3 41 41 A G S < S+ 0 0 46 -3,-2.3 3,-0.1 1,-0.3 2,-0.0 0.280 79.6 126.6 107.3 -10.0 -32.7 13.2 -7.3 42 42 A E S S- 0 0 110 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.300 71.2 -82.7 -75.0 165.3 -29.7 15.6 -7.9 43 43 A R B -C 37 0B 167 -6,-0.2 -6,-0.2 1,-0.1 2,-0.1 -0.516 45.5-116.0 -73.1 130.7 -26.1 14.7 -7.0 44 44 A R - 0 0 30 -8,-2.8 -1,-0.1 -2,-0.3 -9,-0.0 -0.442 34.6-116.5 -65.3 137.2 -25.2 15.3 -3.4 45 45 A G > - 0 0 40 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.205 21.8-105.3 -75.3 166.8 -22.4 17.9 -2.9 46 46 A V H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.864 116.0 51.3 -64.4 -42.1 -19.0 17.4 -1.5 47 47 A A H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 111.9 47.7 -62.9 -40.7 -19.5 19.0 1.9 48 48 A S H > S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.849 112.9 48.6 -69.8 -35.3 -22.7 17.0 2.5 49 49 A L H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.885 108.3 54.6 -67.8 -38.9 -20.8 13.8 1.5 50 50 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.880 106.1 52.6 -61.5 -37.9 -17.9 14.8 3.8 51 51 A A H X S+ 0 0 6 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.868 109.5 48.5 -64.4 -38.2 -20.5 15.1 6.6 52 52 A R H X S+ 0 0 14 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.877 110.1 51.8 -70.1 -37.4 -21.7 11.6 5.9 53 53 A F H X S+ 0 0 37 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.942 110.0 49.5 -59.0 -48.0 -18.1 10.3 5.8 54 54 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.884 108.7 53.8 -58.0 -39.9 -17.6 11.9 9.2 55 55 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.910 109.1 47.5 -62.6 -41.4 -20.8 10.2 10.5 56 56 A K H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.874 112.8 48.5 -68.9 -36.6 -19.5 6.8 9.4 57 57 A E H X S+ 0 0 57 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.916 112.6 48.9 -64.9 -43.9 -16.1 7.4 11.0 58 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.896 110.1 51.2 -63.6 -41.3 -17.9 8.6 14.2 59 59 A L H X S+ 0 0 3 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.932 109.4 50.4 -59.8 -46.6 -20.1 5.5 14.1 60 60 A A H ><>S+ 0 0 19 -4,-2.3 5,-3.2 1,-0.2 3,-0.6 0.927 109.9 50.8 -57.8 -45.0 -17.0 3.3 13.8 61 61 A K H ><5S+ 0 0 102 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.897 105.0 56.1 -59.7 -41.2 -15.4 5.1 16.7 62 62 A A H 3<5S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.787 110.5 46.6 -62.0 -26.2 -18.6 4.6 18.9 63 63 A L T <<5S- 0 0 2 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.331 123.1-104.3 -94.8 3.5 -18.2 0.8 18.2 64 64 A G T < 5 - 0 0 53 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.702 49.8-100.4 77.5 19.8 -14.4 0.7 18.9 65 65 A A < - 0 0 62 -5,-3.2 -1,-0.2 -6,-0.2 -4,-0.1 0.781 53.8-173.1 35.6 60.0 -13.5 0.6 15.2 66 66 A P > - 0 0 42 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.348 32.3 -90.2 -73.0 161.4 -12.8 -3.2 14.9 67 67 A A T 3 S+ 0 0 104 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 -0.320 104.8 41.5 -62.0 151.1 -11.4 -4.7 11.7 68 68 A G T 3 + 0 0 57 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.415 69.6 140.1 93.0 0.3 -13.9 -5.8 9.1 69 69 A L < - 0 0 43 -3,-0.8 2,-0.4 22,-0.1 -1,-0.3 -0.602 42.5-142.6 -74.4 135.9 -16.5 -3.1 9.1 70 70 A L > - 0 0 90 -2,-0.3 3,-1.8 1,-0.1 22,-0.2 -0.852 9.0-141.3-100.3 134.7 -17.9 -2.1 5.7 71 71 A W G > S+ 0 0 88 -2,-0.4 3,-1.4 1,-0.3 -39,-0.2 0.856 105.1 57.7 -56.7 -37.7 -18.6 1.5 4.9 72 72 A T G 3 S+ 0 0 45 -43,-0.3 -1,-0.3 1,-0.3 -42,-0.1 0.485 91.3 70.5 -76.4 -3.5 -21.7 0.3 2.9 73 73 A D G < S+ 0 0 25 -3,-1.8 16,-2.5 15,-0.1 2,-0.4 0.317 93.6 64.0 -94.4 5.0 -23.0 -1.4 6.1 74 74 A A E < S-D 88 0C 3 -3,-1.4 2,-0.4 14,-0.2 -42,-0.2 -1.000 71.5-170.4-123.8 130.5 -23.8 2.0 7.6 75 75 A E E -D 87 0C 36 12,-2.7 12,-2.4 -2,-0.4 2,-0.7 -0.988 16.9-151.9-125.5 127.8 -26.4 4.1 5.8 76 76 A V E +D 86 0C 4 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.890 27.1 176.5 -90.3 116.0 -27.2 7.8 6.5 77 77 A W E -D 85 0C 69 8,-2.5 8,-2.5 -2,-0.7 2,-0.4 -0.719 20.9-128.0-114.9 172.8 -30.9 8.3 5.5 78 78 A V E -D 84 0C 55 -2,-0.2 5,-0.1 6,-0.2 2,-0.0 -0.979 7.3-138.3-133.1 123.2 -33.0 11.4 5.7 79 79 A E > - 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