==== 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 15-DEC-06 2JBZ . COMPND 2 MOLECULE: HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR P.DALL'AGLIO,C.ARTHUR,C.K.E.LAW,M.P.CRUMP,J.CROSBY, . 124 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 66.9 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 23.4 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 . 14 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 29.0 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 0 A H 0 0 220 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 2.7 -15.2 -12.4 -16.1 2 1 A M + 0 0 166 1,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.531 360.0 153.7 -68.7 137.8 -15.0 -9.0 -14.3 3 2 A S + 0 0 41 -2,-0.2 121,-2.9 120,-0.0 2,-0.5 0.492 26.9 110.6-144.7 -10.4 -15.3 -9.4 -10.5 4 3 A I E +A 123 0A 122 119,-0.2 119,-0.3 1,-0.2 3,-0.1 -0.594 32.3 175.3 -75.2 126.2 -13.5 -6.6 -8.6 5 4 A I E - 0 0 56 117,-3.0 2,-0.3 -2,-0.5 118,-0.2 0.781 61.5 -22.5 -98.8 -33.4 -16.1 -4.4 -6.9 6 5 A G E -A 122 0A 13 116,-1.6 116,-2.9 2,-0.0 -1,-0.4 -0.979 49.0-146.7-169.6 159.4 -13.8 -2.1 -5.0 7 6 A V E -A 121 0A 93 -2,-0.3 2,-0.3 114,-0.2 114,-0.2 -0.974 13.4-171.8-131.6 151.3 -10.3 -1.6 -3.4 8 7 A G E -A 120 0A 4 112,-2.5 112,-2.5 -2,-0.3 2,-0.3 -0.998 5.8-174.5-139.4 145.1 -9.2 0.3 -0.3 9 8 A I E +A 119 0A 111 -2,-0.3 2,-0.3 110,-0.2 110,-0.2 -0.983 10.0 176.5-130.6 145.7 -5.8 1.2 1.1 10 9 A D E -A 118 0A 25 108,-2.0 108,-2.1 -2,-0.3 2,-0.4 -0.984 13.2-161.7-151.6 145.7 -5.2 2.9 4.5 11 10 A V E -A 117 0A 79 -2,-0.3 2,-0.4 106,-0.2 106,-0.2 -0.995 8.0-170.1-131.8 126.4 -2.2 3.9 6.5 12 11 A A E -A 116 0A 9 104,-3.1 104,-3.3 -2,-0.4 2,-0.7 -0.959 24.9-128.2-120.9 132.1 -2.2 4.7 10.2 13 12 A E E > -A 115 0A 114 -2,-0.4 4,-2.4 102,-0.2 102,-0.2 -0.696 21.7-149.6 -76.5 116.5 0.6 6.2 12.3 14 13 A V H > S+ 0 0 22 100,-2.1 4,-2.9 -2,-0.7 5,-0.2 0.909 91.0 51.1 -57.3 -49.1 0.9 3.7 15.2 15 14 A E H > S+ 0 0 160 99,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.908 112.0 47.4 -59.6 -45.3 2.0 6.3 17.8 16 15 A R H > S+ 0 0 193 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 112.1 50.3 -59.9 -44.9 -0.8 8.6 17.0 17 16 A F H X S+ 0 0 14 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.923 109.9 50.0 -62.7 -43.9 -3.3 5.8 17.1 18 17 A G H X S+ 0 0 14 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.910 109.0 52.5 -58.5 -46.7 -2.0 4.6 20.5 19 18 A A H X S+ 0 0 55 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.863 107.8 52.4 -54.0 -39.4 -2.3 8.1 21.9 20 19 A A H X S+ 0 0 41 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.862 109.2 48.2 -69.9 -37.5 -5.9 8.3 20.7 21 20 A L H < S+ 0 0 30 -4,-1.8 7,-0.3 2,-0.2 6,-0.2 0.883 113.4 47.8 -66.9 -40.6 -6.8 5.0 22.5 22 21 A E H < S+ 0 0 167 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.873 109.4 53.3 -70.3 -38.8 -5.2 6.2 25.7 23 22 A R H < S+ 0 0 223 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.883 116.2 36.1 -64.2 -43.4 -6.8 9.6 25.7 24 23 A T >X - 0 0 54 -4,-1.6 3,-1.9 1,-0.1 4,-0.5 -0.906 67.7-163.2-119.4 103.5 -10.4 8.3 25.3 25 24 A P T 34 S+ 0 0 120 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.824 89.3 54.8 -51.5 -37.1 -11.1 5.0 27.3 26 25 A A T 3> S+ 0 0 42 1,-0.2 4,-0.9 2,-0.1 -5,-0.1 0.619 87.6 83.1 -73.4 -15.2 -14.3 4.3 25.3 27 26 A L H X> S+ 0 0 38 -3,-1.9 4,-1.9 -6,-0.2 3,-1.4 0.935 84.6 52.9 -62.5 -51.2 -12.6 4.4 21.9 28 27 A A H 3X S+ 0 0 16 -4,-0.5 4,-2.6 -3,-0.3 -1,-0.2 0.906 110.7 48.5 -52.0 -44.8 -11.1 0.9 21.7 29 28 A G H 34 S+ 0 0 48 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.660 110.1 52.9 -70.5 -16.3 -14.6 -0.6 22.5 30 29 A R H << S+ 0 0 161 -3,-1.4 43,-0.3 -4,-0.9 42,-0.3 0.784 118.0 35.2 -84.1 -31.0 -16.2 1.6 19.8 31 30 A L H < S+ 0 0 9 -4,-1.9 2,-0.4 -3,-0.2 -2,-0.2 0.773 118.2 47.9 -91.2 -30.6 -13.7 0.5 17.1 32 31 A F < - 0 0 1 -4,-2.6 2,-0.2 -5,-0.3 41,-0.1 -0.901 68.3-129.7-126.4 145.4 -13.2 -3.2 18.1 33 32 A L >> - 0 0 42 -2,-0.4 3,-1.3 42,-0.2 4,-1.0 -0.546 41.7-106.8 -77.9 150.7 -15.1 -6.3 19.0 34 33 A E G >4 S+ 0 0 146 1,-0.3 3,-0.8 -2,-0.2 4,-0.3 0.859 120.1 57.8 -47.5 -43.3 -13.8 -8.1 22.2 35 34 A S G >4 S+ 0 0 65 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.820 102.9 52.2 -58.9 -36.8 -12.3 -10.8 20.0 36 35 A E G <4 S+ 0 0 3 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.737 100.0 63.1 -71.2 -24.3 -10.1 -8.3 18.1 37 36 A L G << S+ 0 0 15 -4,-1.0 8,-2.8 -3,-0.8 2,-0.3 0.533 98.6 71.1 -82.4 -4.7 -8.7 -6.8 21.3 38 37 A L B < S-C 44 0B 69 -3,-0.9 6,-0.2 -4,-0.3 5,-0.0 -0.849 74.5-130.9-114.6 149.3 -7.1 -10.2 22.2 39 38 A L > - 0 0 61 4,-3.2 3,-2.7 -2,-0.3 6,-0.1 -0.591 41.5-100.2 -84.3 153.7 -4.2 -12.3 20.9 40 39 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.833 124.9 56.5 -42.5 -41.1 -4.8 -16.0 20.2 41 40 A G T 3 S- 0 0 60 1,-0.1 3,-0.1 2,-0.0 -3,-0.0 0.658 122.6-104.3 -66.9 -19.8 -3.2 -16.8 23.6 42 41 A G S < S+ 0 0 48 -3,-2.7 2,-0.1 1,-0.4 -1,-0.1 0.362 80.1 124.2 109.2 -3.9 -5.6 -14.5 25.5 43 42 A E S S- 0 0 113 1,-0.1 -4,-3.2 -5,-0.0 -1,-0.4 -0.458 73.3 -83.7 -82.0 161.2 -3.4 -11.5 26.2 44 43 A R B -C 38 0B 181 -6,-0.2 -6,-0.3 -2,-0.1 -1,-0.1 -0.500 46.5-114.7 -70.4 127.8 -4.3 -8.0 25.1 45 44 A R - 0 0 30 -8,-2.8 -1,-0.1 -2,-0.3 2,-0.0 -0.344 36.4-114.6 -59.3 138.3 -3.5 -7.1 21.5 46 45 A G > - 0 0 40 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.250 20.9-104.3 -79.6 165.5 -0.9 -4.4 21.1 47 46 A V H > S+ 0 0 65 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.896 116.8 49.4 -57.9 -50.2 -1.1 -0.9 19.6 48 47 A A H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 113.2 48.4 -59.3 -43.8 0.6 -1.6 16.3 49 48 A S H > S+ 0 0 19 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.891 113.3 46.6 -64.3 -40.3 -1.6 -4.7 15.7 50 49 A L H X S+ 0 0 11 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.908 108.5 56.4 -66.8 -39.3 -4.8 -2.7 16.6 51 50 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.888 105.9 51.1 -58.8 -39.1 -3.7 0.1 14.3 52 51 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.869 109.8 49.2 -66.0 -36.2 -3.4 -2.3 11.4 53 52 A R H X S+ 0 0 15 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.880 109.7 51.5 -70.3 -36.8 -6.9 -3.6 12.1 54 53 A F H X S+ 0 0 39 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.945 110.3 49.6 -61.0 -45.8 -8.2 0.1 12.3 55 54 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.884 107.7 55.3 -59.2 -38.3 -6.5 0.6 8.9 56 55 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.907 108.4 47.1 -63.8 -41.2 -8.2 -2.6 7.6 57 56 A K H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.899 112.3 49.1 -70.9 -36.5 -11.6 -1.2 8.6 58 57 A E H X S+ 0 0 59 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.951 113.0 48.3 -62.9 -48.6 -10.9 2.2 6.9 59 58 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.892 110.8 51.0 -56.1 -41.6 -9.8 0.3 3.8 60 59 A L H X S+ 0 0 4 -4,-2.5 4,-1.4 2,-0.2 6,-0.2 0.958 109.4 50.1 -63.3 -48.7 -12.9 -1.9 3.9 61 60 A A H ><>S+ 0 0 19 -4,-2.5 5,-3.2 1,-0.2 3,-0.7 0.929 110.5 50.2 -51.7 -49.1 -15.1 1.2 4.1 62 61 A K H ><5S+ 0 0 100 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.904 105.5 56.6 -58.3 -41.7 -13.2 2.8 1.2 63 62 A A H 3<5S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.794 110.8 45.4 -59.6 -28.3 -13.8 -0.5 -0.9 64 63 A L T <<5S- 0 0 1 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.335 123.7-102.4 -97.9 5.5 -17.5 0.0 -0.2 65 64 A G T < 5 - 0 0 54 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.679 50.0-101.8 78.2 15.3 -17.6 3.7 -1.1 66 65 A A < - 0 0 62 -5,-3.2 -1,-0.2 -6,-0.2 -4,-0.1 0.791 53.4-174.8 40.0 60.4 -17.7 4.7 2.6 67 66 A P > - 0 0 42 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.386 31.4 -92.8 -76.5 161.4 -21.4 5.5 2.9 68 67 A A T 3 S+ 0 0 105 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 -0.330 101.3 43.8 -64.5 156.5 -22.8 6.9 6.2 69 68 A G T 3 S+ 0 0 60 1,-0.3 2,-0.4 -2,-0.0 -1,-0.2 0.556 70.6 138.6 90.5 9.0 -24.2 4.6 8.9 70 69 A L < - 0 0 47 -3,-0.6 2,-0.4 22,-0.1 -1,-0.3 -0.723 43.7-139.8 -87.9 139.3 -21.6 1.8 8.9 71 70 A L > - 0 0 93 -2,-0.4 3,-1.5 1,-0.1 22,-0.2 -0.796 9.1-140.5 -99.0 138.0 -20.6 0.5 12.3 72 71 A W G > S+ 0 0 86 -2,-0.4 3,-1.4 -42,-0.3 -39,-0.2 0.851 105.2 58.8 -57.8 -35.5 -17.0 -0.4 13.2 73 72 A T G 3 S+ 0 0 49 -43,-0.3 -1,-0.3 1,-0.3 -42,-0.1 0.431 91.4 69.4 -78.6 -0.6 -18.3 -3.4 15.1 74 73 A D G < S+ 0 0 26 -3,-1.5 16,-2.5 15,-0.1 2,-0.4 0.291 94.2 63.7 -98.4 2.5 -20.0 -4.8 11.9 75 74 A A E < S-D 89 0C 5 -3,-1.4 2,-0.4 14,-0.2 14,-0.2 -0.997 70.2-174.1-120.5 135.4 -16.5 -5.5 10.4 76 75 A E E -D 88 0C 35 12,-2.6 12,-2.4 -2,-0.4 2,-0.6 -0.994 18.4-151.5-133.5 126.9 -14.4 -8.1 12.2 77 76 A V E +D 87 0C 4 -2,-0.4 2,-0.2 10,-0.2 10,-0.2 -0.894 28.1 174.1 -93.0 122.4 -10.8 -9.0 11.5 78 77 A W E -D 86 0C 71 8,-2.3 8,-2.7 -2,-0.6 2,-0.4 -0.697 22.7-123.7-121.7 178.3 -10.4 -12.7 12.6 79 78 A V E -D 85 0C 59 -2,-0.2 5,-0.1 6,-0.2 -2,-0.0 -0.982 10.6-131.6-137.5 124.9 -7.4 -15.0 12.2 80 79 A E > - 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