==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-JAN-10 3LMO . COMPND 2 MOLECULE: SPECIALIZED ACYL CARRIER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR F.FOROUHAR,P.ROSSI,S.LEW,J.SEETHARAMAN,M.MAO,R.XIAO,C.CICCOS . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 71.3 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 . 2 2.1 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 . 1 1.1 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 . 4 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 51.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.2 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 0 0 0 0 1 0 0 1 0 0 1 0 0 1 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 2 A T 0 0 128 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.0 37.7 16.0 20.1 2 3 A S > - 0 0 58 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.223 360.0-119.8 -64.4 154.3 37.3 17.2 23.7 3 4 A T H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.916 114.5 52.6 -60.8 -43.5 34.0 18.3 25.1 4 5 A F H > S+ 0 0 29 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.932 107.5 50.6 -59.8 -46.1 35.3 21.8 25.8 5 6 A D H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 110.2 50.6 -58.2 -40.3 36.7 22.2 22.3 6 7 A R H X S+ 0 0 120 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.915 111.3 48.6 -62.9 -43.2 33.3 21.2 20.9 7 8 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.930 109.7 51.4 -63.3 -45.7 31.7 23.8 23.2 8 9 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.916 110.2 49.6 -57.9 -44.0 34.1 26.5 22.1 9 10 A T H X S+ 0 0 79 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.921 111.0 49.4 -60.7 -46.4 33.3 25.8 18.5 10 11 A I H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.944 113.8 45.2 -58.4 -50.6 29.6 26.0 19.1 11 12 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 6,-0.4 0.949 111.7 52.6 -60.0 -49.6 29.9 29.2 20.9 12 13 A A H <>S+ 0 0 15 -4,-3.0 5,-1.7 1,-0.2 4,-0.4 0.897 117.6 36.8 -53.1 -46.2 32.2 30.8 18.3 13 14 A E H <5S+ 0 0 115 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.762 115.2 54.4 -81.4 -25.4 29.9 29.9 15.4 14 15 A T H <5S+ 0 0 38 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.880 125.8 21.1 -75.4 -38.5 26.6 30.6 17.3 15 16 A C T <5S- 0 0 26 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.175 105.4-115.1-116.2 17.1 27.6 34.1 18.4 16 17 A D T 5 + 0 0 154 -4,-0.4 -3,-0.2 1,-0.2 -4,-0.2 0.929 60.4 157.5 47.7 53.5 30.2 34.9 15.8 17 18 A I < - 0 0 20 -5,-1.7 -1,-0.2 -6,-0.4 2,-0.2 -0.910 52.5-101.1-109.4 134.1 32.9 35.1 18.5 18 19 A P > - 0 0 62 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.358 27.0-143.4 -56.1 118.8 36.6 34.6 17.5 19 20 A R G > S+ 0 0 84 1,-0.3 3,-2.4 2,-0.2 -7,-0.1 0.854 96.0 65.4 -51.4 -41.4 37.4 31.0 18.6 20 21 A E G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -8,-0.0 -3,-0.0 0.699 97.4 56.5 -57.9 -21.2 40.9 32.0 19.6 21 22 A T G < S+ 0 0 65 -3,-1.9 2,-0.6 2,-0.0 -1,-0.3 0.436 87.1 93.4 -91.4 -0.5 39.4 34.1 22.4 22 23 A I < + 0 0 5 -3,-2.4 -14,-0.1 -4,-0.2 -13,-0.0 -0.838 52.8 170.5 -98.6 120.0 37.5 31.3 24.0 23 24 A T > - 0 0 52 -2,-0.6 3,-1.6 1,-0.1 53,-0.2 -0.765 50.0-104.8-122.4 169.4 39.3 29.5 26.8 24 25 A P T 3 S+ 0 0 38 0, 0.0 53,-2.8 0, 0.0 54,-0.3 0.772 123.7 52.9 -62.7 -23.3 38.3 26.8 29.5 25 26 A E T 3 S+ 0 0 130 51,-0.2 -3,-0.0 50,-0.1 0, 0.0 0.512 88.0 104.8 -89.5 -7.3 38.3 29.7 32.0 26 27 A S < - 0 0 9 -3,-1.6 50,-2.7 49,-0.1 2,-0.4 -0.195 69.8-122.3 -67.0 166.8 35.9 31.9 29.9 27 28 A H B -A 75 0A 72 48,-0.2 48,-0.2 49,-0.1 7,-0.2 -0.922 5.9-145.2-116.9 142.1 32.3 32.2 31.0 28 29 A A S S+ 0 0 0 46,-2.8 2,-0.3 -2,-0.4 14,-0.1 0.516 93.6 48.1 -78.1 -3.8 29.2 31.3 28.9 29 30 A I S S+ 0 0 39 45,-0.3 6,-0.1 1,-0.1 3,-0.1 -0.978 116.7 6.1-137.6 147.0 27.6 34.3 30.7 30 31 A D S S+ 0 0 142 4,-0.7 2,-0.3 -2,-0.3 -1,-0.1 0.884 112.8 78.1 47.4 48.9 28.8 37.9 31.3 31 32 A D S > S+ 0 0 65 3,-0.4 3,-2.8 -4,-0.1 -1,-0.1 -0.966 73.2 35.1-172.5 161.5 31.8 37.4 29.2 32 33 A L T 3 S- 0 0 36 1,-0.3 3,-0.1 -2,-0.3 -2,-0.1 0.691 125.0 -70.4 57.8 17.8 33.0 37.3 25.5 33 34 A G T 3 S+ 0 0 72 1,-0.2 2,-0.6 -16,-0.0 -1,-0.3 0.653 90.4 157.9 74.2 14.5 30.3 39.9 24.9 34 35 A I < - 0 0 9 -3,-2.8 -4,-0.7 -7,-0.2 -3,-0.4 -0.631 19.8-170.5 -78.0 114.7 27.7 37.3 25.4 35 36 A D > - 0 0 81 -2,-0.6 4,-2.5 -3,-0.1 5,-0.2 -0.355 41.4 -87.9 -94.5 180.0 24.4 38.9 26.4 36 37 A S H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.902 128.0 48.3 -56.5 -46.5 21.2 37.1 27.6 37 38 A L H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 111.0 52.8 -62.2 -39.5 19.8 36.4 24.1 38 39 A D H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.929 106.8 52.2 -60.9 -46.9 23.2 35.1 23.1 39 40 A F H X S+ 0 0 23 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.875 106.0 52.9 -58.7 -40.5 23.4 32.7 26.0 40 41 A L H X S+ 0 0 98 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.866 108.6 51.5 -64.7 -32.7 20.0 31.2 25.2 41 42 A D H X S+ 0 0 76 -4,-1.5 4,-2.7 -3,-0.2 -1,-0.2 0.874 110.2 49.6 -69.6 -36.2 21.2 30.6 21.7 42 43 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.936 110.1 48.6 -67.4 -46.2 24.3 28.8 23.1 43 44 A A H X S+ 0 0 6 -4,-2.8 4,-2.2 2,-0.2 11,-0.3 0.896 113.1 49.8 -60.2 -39.7 22.2 26.6 25.4 44 45 A F H X S+ 0 0 123 -4,-2.0 4,-2.0 -5,-0.2 5,-0.3 0.965 111.8 46.6 -62.9 -53.1 20.0 25.8 22.4 45 46 A A H X S+ 0 0 22 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.886 112.1 50.9 -57.7 -41.7 22.9 24.9 20.2 46 47 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 6,-0.3 0.924 107.0 54.3 -63.1 -44.8 24.5 22.8 23.0 47 48 A D H X>S+ 0 0 21 -4,-2.2 5,-2.0 -5,-0.2 4,-1.2 0.942 115.6 37.6 -53.8 -54.2 21.3 20.8 23.5 48 49 A K H <5S+ 0 0 152 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.896 114.7 55.9 -67.0 -40.9 21.0 19.8 19.9 49 50 A A H <5S+ 0 0 61 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.891 121.7 26.6 -60.0 -41.4 24.8 19.4 19.4 50 51 A F H <5S- 0 0 39 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.452 105.3-118.3-102.6 -0.6 25.0 16.8 22.3 51 52 A G T <5S+ 0 0 33 -4,-1.2 2,-0.2 -5,-0.3 -3,-0.2 0.906 79.2 105.0 65.5 39.4 21.5 15.5 22.2 52 53 A I < - 0 0 14 -5,-2.0 2,-0.4 -6,-0.3 -1,-0.2 -0.741 67.4-121.3-135.4-174.3 20.8 16.7 25.7 53 54 A K - 0 0 149 -2,-0.2 -9,-0.1 -3,-0.1 -10,-0.0 -0.966 17.8-135.4-138.4 117.0 18.9 19.4 27.6 54 55 A L - 0 0 4 -2,-0.4 2,-2.2 -11,-0.3 3,-0.2 -0.633 22.9-139.8 -72.7 110.8 20.7 21.9 29.9 55 56 A P > + 0 0 35 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.461 32.4 170.0 -74.7 75.6 18.2 21.9 32.8 56 57 A L H > S+ 0 0 57 -2,-2.2 4,-2.4 1,-0.2 5,-0.2 0.854 73.6 51.8 -55.7 -43.3 18.4 25.6 33.5 57 58 A E H > S+ 0 0 172 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.933 110.9 48.1 -61.5 -45.6 15.5 25.6 35.9 58 59 A K H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.885 111.5 49.9 -62.2 -41.4 17.1 22.8 38.0 59 60 A W H X S+ 0 0 20 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.929 107.7 53.1 -63.7 -46.5 20.4 24.6 38.0 60 61 A T H X S+ 0 0 86 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.885 107.4 53.8 -56.3 -38.7 18.9 27.9 39.2 61 62 A Q H X S+ 0 0 121 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.892 108.7 47.8 -64.5 -39.6 17.3 25.9 42.0 62 63 A E H <>S+ 0 0 46 -4,-1.6 5,-2.6 2,-0.2 6,-1.1 0.899 109.0 52.3 -68.8 -41.8 20.6 24.5 43.2 63 64 A V H <5S+ 0 0 50 -4,-2.4 3,-0.3 4,-0.2 -1,-0.2 0.806 115.1 44.0 -64.5 -28.1 22.4 27.8 43.1 64 65 A N H <5S+ 0 0 126 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.826 111.1 51.9 -83.9 -35.1 19.5 29.2 45.3 65 66 A D T <5S- 0 0 101 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.311 115.8-114.3 -82.5 7.4 19.4 26.2 47.6 66 67 A G T 5S+ 0 0 68 -3,-0.3 -3,-0.2 -4,-0.2 -4,-0.1 0.702 86.7 119.3 67.4 18.6 23.2 26.6 48.2 67 68 A K S - 0 0 70 -2,-0.3 3,-0.7 1,-0.1 4,-0.3 -0.766 30.8-116.2-111.9 162.5 27.8 27.9 42.6 70 71 A T T >> S+ 0 0 69 -2,-0.3 4,-2.7 1,-0.2 3,-1.9 0.864 110.8 68.1 -65.8 -34.3 27.4 29.7 39.3 71 72 A E H 3> S+ 0 0 99 1,-0.3 4,-1.4 2,-0.2 7,-0.3 0.819 91.3 59.6 -55.0 -35.0 30.9 28.8 38.4 72 73 A Q H <4 S+ 0 0 61 -3,-0.7 -1,-0.3 1,-0.2 10,-0.2 0.643 117.3 31.2 -74.3 -8.1 30.1 25.1 38.1 73 74 A Y H <4 S+ 0 0 6 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.750 127.0 34.3-111.3 -41.2 27.6 25.9 35.3 74 75 A F H < S+ 0 0 48 -4,-2.7 -46,-2.8 4,-0.1 2,-0.5 0.623 87.9 93.9 -96.2 -16.8 28.9 28.9 33.5 75 76 A V B >X S-A 27 0A 21 -4,-1.4 4,-2.9 -5,-0.4 3,-0.8 -0.702 79.4-131.6 -76.3 124.6 32.7 28.5 33.5 76 77 A L H 3> S+ 0 0 0 -50,-2.7 4,-2.4 -2,-0.5 -51,-0.2 0.843 103.4 53.2 -47.8 -44.9 33.3 26.8 30.2 77 78 A K H 3> S+ 0 0 132 -53,-2.8 4,-1.1 -51,-0.3 -1,-0.3 0.898 116.2 41.1 -60.0 -38.1 35.6 24.1 31.7 78 79 A N H <> S+ 0 0 55 -3,-0.8 4,-2.2 -54,-0.3 -2,-0.2 0.860 108.7 58.1 -78.1 -35.3 32.9 23.2 34.2 79 80 A L H X S+ 0 0 5 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.914 105.0 53.7 -58.6 -39.9 30.1 23.6 31.7 80 81 A A H X S+ 0 0 8 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.888 107.3 50.1 -61.1 -39.1 31.9 20.9 29.7 81 82 A A H X S+ 0 0 36 -4,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.867 109.6 51.0 -68.0 -33.9 31.9 18.7 32.8 82 83 A R H X S+ 0 0 36 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.893 110.0 50.2 -68.0 -40.3 28.1 19.3 33.2 83 84 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.928 107.0 53.3 -63.9 -45.2 27.6 18.3 29.6 84 85 A D H X S+ 0 0 80 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.873 110.0 49.6 -58.4 -36.4 29.6 15.1 30.1 85 86 A E H X S+ 0 0 114 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.923 111.9 46.6 -67.9 -44.5 27.4 14.2 33.0 86 87 A L H X S+ 0 0 43 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.865 112.2 51.9 -65.9 -35.7 24.2 14.9 31.0 87 88 A V H X S+ 0 0 56 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.932 106.4 52.7 -66.0 -47.0 25.5 12.8 28.1 88 89 A A H X S+ 0 0 69 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.915 112.9 45.3 -55.3 -45.0 26.4 9.8 30.3 89 90 A A H X S+ 0 0 67 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.932 114.6 46.5 -65.6 -47.1 22.8 9.9 31.7 90 91 A K H X S+ 0 0 74 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.864 109.7 56.3 -63.4 -36.3 21.2 10.3 28.2 91 92 A G H < S+ 0 0 38 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.928 105.8 49.0 -61.2 -46.9 23.4 7.6 26.9 92 93 A A H < S+ 0 0 90 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.914 109.6 52.9 -58.7 -44.5 22.2 5.0 29.4 93 94 A L H < 0 0 147 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.870 360.0 360.0 -59.5 -38.0 18.7 5.9 28.6 94 95 A E < 0 0 171 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.740 360.0 360.0 -78.9 360.0 19.4 5.3 24.9