==== 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 14-FEB-12 2LPK . COMPND 2 MOLECULE: SPECIALIZED ACYL CARRIER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR T.A.RAMELOT,P.ROSSI,Y.YANG,H.LEE,A.ERTEKIN,H.WANG,C.CICCOSAN . 101 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 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 2.0 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 . 7 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 47.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 0 1 1 0 1 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 1 A M 0 0 126 0, 0.0 2,-1.3 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 112.2 -13.3 -5.2 3.7 2 2 A T - 0 0 40 1,-0.1 2,-2.1 97,-0.1 3,-0.3 -0.765 360.0-155.4 -78.1 91.6 -9.7 -5.0 5.0 3 3 A S > + 0 0 36 -2,-1.3 4,-1.6 95,-0.3 5,-0.1 -0.534 31.4 158.7 -78.4 74.9 -9.0 -1.7 3.2 4 4 A T H > S+ 0 0 7 -2,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.918 74.5 51.8 -64.6 -46.4 -5.2 -2.1 3.0 5 5 A F H > S+ 0 0 41 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.892 106.2 56.2 -52.8 -47.6 -4.9 0.4 0.1 6 6 A D H > S+ 0 0 56 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.897 108.3 45.6 -56.0 -47.6 -6.9 3.0 2.3 7 7 A R H X S+ 0 0 117 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.863 114.9 47.3 -66.1 -38.1 -4.5 2.9 5.2 8 8 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.863 108.9 54.3 -72.2 -37.5 -1.4 3.1 2.8 9 9 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.817 108.9 49.8 -64.2 -35.5 -3.0 6.0 0.9 10 10 A T H X S+ 0 0 56 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.895 109.0 51.3 -67.0 -44.7 -3.4 7.8 4.3 11 11 A I H X S+ 0 0 13 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.926 111.5 47.5 -56.4 -47.1 0.3 7.1 5.1 12 12 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.881 108.5 55.4 -61.3 -44.3 1.3 8.6 1.7 13 13 A A H X>S+ 0 0 16 -4,-1.8 5,-1.5 1,-0.2 4,-0.7 0.898 110.3 45.0 -52.1 -48.1 -1.0 11.6 2.4 14 14 A E H <5S+ 0 0 144 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.790 115.0 51.2 -66.6 -32.4 0.9 12.2 5.7 15 15 A T H <5S+ 0 0 47 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 0.973 121.2 24.4 -71.2 -58.4 4.3 11.8 3.9 16 16 A C H <5S- 0 0 39 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.198 105.2-111.1-103.6 15.7 4.1 14.1 0.9 17 17 A D T <5S+ 0 0 149 -4,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.970 73.2 131.5 49.8 64.1 1.5 16.7 2.3 18 18 A I < - 0 0 54 -5,-1.5 2,-0.3 -6,-0.1 -1,-0.2 -0.982 66.2 -93.3-142.5 146.1 -1.3 15.6 -0.2 19 19 A P > - 0 0 76 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.521 28.8-141.5 -66.0 125.5 -5.1 14.7 0.3 20 20 A R G > S+ 0 0 63 -2,-0.3 3,-1.0 1,-0.2 -8,-0.1 0.763 96.4 64.8 -53.7 -31.8 -5.6 10.8 0.7 21 21 A E G 3 S+ 0 0 163 1,-0.3 -1,-0.2 -11,-0.0 -11,-0.0 0.723 94.4 57.6 -73.4 -23.7 -8.8 10.8 -1.5 22 22 A T G < S+ 0 0 86 -3,-1.4 2,-0.7 -13,-0.1 -1,-0.3 0.586 86.2 90.8 -84.7 -11.6 -6.9 11.9 -4.7 23 23 A I < - 0 0 1 -3,-1.0 -14,-0.1 -4,-0.4 -10,-0.0 -0.792 66.3-167.3 -83.6 111.8 -4.6 8.8 -4.4 24 24 A T > - 0 0 74 -2,-0.7 3,-1.8 1,-0.1 53,-0.3 -0.600 35.0-106.6 -94.9 161.5 -6.4 6.1 -6.4 25 25 A P T 3 S+ 0 0 59 0, 0.0 53,-2.4 0, 0.0 54,-0.3 0.795 122.0 51.6 -57.2 -25.4 -5.5 2.2 -6.3 26 26 A E T 3 S+ 0 0 143 51,-0.2 2,-0.4 52,-0.1 -3,-0.0 0.180 82.5 121.8-102.9 17.7 -3.9 2.6 -9.8 27 27 A S < - 0 0 2 -3,-1.8 50,-2.0 5,-0.1 2,-0.6 -0.673 58.7-138.7 -78.4 129.6 -1.7 5.6 -8.8 28 28 A H B >> -A 76 0A 16 -2,-0.4 5,-2.4 48,-0.2 4,-1.2 -0.848 7.8-142.5 -88.6 120.8 2.0 5.1 -9.3 29 29 A A T 45S+ 0 0 0 46,-2.9 6,-2.7 -2,-0.6 -1,-0.1 0.861 95.9 26.0 -48.1 -42.0 4.0 6.6 -6.3 30 30 A I T >5S+ 0 0 62 45,-0.3 4,-0.8 4,-0.2 -1,-0.1 0.964 128.9 35.6 -93.2 -60.1 6.9 7.8 -8.6 31 31 A D T 45S+ 0 0 143 2,-0.1 -2,-0.1 3,-0.1 -1,-0.1 0.893 132.6 23.3 -63.6 -46.4 5.5 8.5 -12.1 32 32 A D T <5S+ 0 0 93 -4,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.965 129.1 36.5 -89.7 -64.4 2.0 9.7 -11.1 33 33 A L T 4> - 0 0 83 -2,-0.5 4,-1.5 1,-0.1 3,-0.5 -0.274 21.8-112.8 -68.4 158.9 10.8 9.7 -4.9 37 37 A S H 3> S+ 0 0 44 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.727 115.7 62.3 -64.5 -23.5 11.8 6.1 -4.0 38 38 A L H 3> S+ 0 0 98 2,-0.2 4,-1.0 1,-0.2 3,-0.3 0.887 105.3 45.5 -70.5 -39.6 13.6 7.4 -0.8 39 39 A D H <> S+ 0 0 54 -3,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.844 106.8 59.9 -68.0 -36.0 10.2 8.7 0.5 40 40 A F H X S+ 0 0 1 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.742 98.6 58.0 -65.6 -27.4 8.7 5.4 -0.5 41 41 A L H X S+ 0 0 87 -4,-0.9 4,-1.5 -3,-0.3 -1,-0.2 0.912 109.0 44.8 -62.7 -45.4 11.2 3.7 1.9 42 42 A D H X S+ 0 0 96 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.862 112.6 51.7 -65.8 -40.1 9.7 5.8 4.8 43 43 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.921 111.1 47.5 -60.8 -45.0 6.2 5.0 3.6 44 44 A A H X S+ 0 0 5 -4,-2.2 4,-1.7 1,-0.2 11,-0.3 0.774 109.9 52.5 -68.9 -32.8 7.0 1.3 3.6 45 45 A F H X S+ 0 0 113 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.775 108.6 50.6 -72.0 -31.4 8.5 1.6 7.1 46 46 A A H X S+ 0 0 35 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.814 111.8 47.5 -73.2 -34.2 5.3 3.3 8.3 47 47 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 6,-0.5 0.844 105.0 60.8 -68.1 -39.1 3.4 0.3 6.7 48 48 A D H < S+ 0 0 27 -4,-1.7 4,-0.4 1,-0.2 5,-0.4 0.880 113.6 36.2 -55.4 -43.4 5.9 -2.0 8.5 49 49 A K H < S+ 0 0 149 -4,-1.3 -2,-0.2 3,-0.2 -1,-0.2 0.947 117.3 51.7 -72.1 -53.8 4.6 -0.6 11.8 50 50 A A H < S+ 0 0 42 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.897 123.7 25.8 -52.9 -56.8 0.9 -0.2 10.8 51 51 A F S < S- 0 0 17 -4,-2.6 -1,-0.2 2,-0.1 -3,-0.2 0.560 102.9-124.8 -88.1 -11.8 0.2 -3.7 9.5 52 52 A G + 0 0 48 -5,-0.5 2,-0.2 -4,-0.4 -3,-0.2 0.809 67.1 132.8 68.1 32.2 3.0 -5.3 11.7 53 53 A I - 0 0 3 -6,-0.5 2,-0.7 -5,-0.4 -1,-0.2 -0.660 61.4-123.5-110.1 163.9 4.6 -6.8 8.6 54 54 A K - 0 0 152 -2,-0.2 -9,-0.1 -3,-0.1 -5,-0.0 -0.907 25.1-160.6-110.8 95.5 8.2 -6.9 7.2 55 55 A L - 0 0 20 -2,-0.7 2,-1.6 -11,-0.3 3,-0.3 -0.714 12.9-148.3 -72.6 118.9 8.2 -5.4 3.7 56 56 A P >> + 0 0 49 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.434 44.0 150.6 -78.9 59.9 11.4 -6.5 1.8 57 57 A L H 3> + 0 0 9 -2,-1.6 4,-2.6 1,-0.2 5,-0.2 0.838 62.6 61.6 -65.1 -35.7 11.2 -3.1 0.0 58 58 A E H 3> S+ 0 0 170 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.868 108.5 41.7 -57.4 -40.6 15.1 -3.1 -0.4 59 59 A K H <> S+ 0 0 106 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.853 113.4 53.7 -77.4 -34.8 14.9 -6.3 -2.6 60 60 A W H X S+ 0 0 10 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.904 110.5 45.7 -66.7 -43.9 11.8 -5.0 -4.5 61 61 A T H X S+ 0 0 24 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.857 112.6 52.5 -64.5 -37.4 13.5 -1.7 -5.4 62 62 A Q H X S+ 0 0 113 -4,-1.3 4,-2.0 -5,-0.2 6,-0.2 0.891 107.0 51.6 -66.2 -41.7 16.6 -3.8 -6.4 63 63 A E H <>S+ 0 0 39 -4,-2.3 6,-1.9 2,-0.2 5,-1.9 0.899 110.4 49.9 -62.4 -43.1 14.5 -6.0 -8.7 64 64 A V H ><5S+ 0 0 19 -4,-1.8 3,-1.4 4,-0.2 -2,-0.2 0.967 114.9 42.1 -55.6 -57.2 13.0 -2.9 -10.4 65 65 A N H 3<5S+ 0 0 123 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.753 113.9 51.9 -66.8 -29.0 16.5 -1.3 -11.0 66 66 A D T 3<5S- 0 0 96 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.316 114.9-113.6 -93.2 7.2 18.1 -4.7 -12.1 67 67 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 2,-0.3 -2,-0.1 0.586 88.7 115.8 70.2 11.5 15.3 -5.3 -14.7 68 68 A K S > S+ 0 0 40 -2,-0.3 4,-2.7 1,-0.2 3,-1.6 0.900 111.5 62.2 -59.5 -43.9 8.5 -0.2 -10.9 72 72 A E H 3> S+ 0 0 89 1,-0.3 4,-1.4 2,-0.2 7,-0.2 0.855 89.9 67.3 -46.7 -49.1 4.6 -0.6 -11.2 73 73 A Q H 34 S+ 0 0 96 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.664 123.2 13.2 -54.5 -25.4 4.6 -4.1 -9.7 74 74 A Y H <4 S+ 0 0 20 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.570 127.0 54.8-121.4 -22.2 5.7 -2.8 -6.2 75 75 A F H < S+ 0 0 3 -4,-2.7 -46,-2.9 -5,-0.2 2,-0.4 0.215 85.0 91.0-109.3 12.1 5.2 1.1 -6.5 76 76 A V B >X S-A 28 0A 9 -4,-1.4 4,-2.9 -48,-0.2 3,-0.5 -0.937 80.5-125.9-105.6 138.0 1.5 1.2 -7.5 77 77 A L H 3> S+ 0 0 0 -50,-2.0 4,-2.1 -2,-0.4 -51,-0.2 0.757 107.4 48.1 -52.9 -38.4 -1.0 1.4 -4.7 78 78 A K H 3> S+ 0 0 89 -53,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.886 117.4 41.3 -71.2 -40.7 -3.1 -1.7 -5.8 79 79 A N H <> S+ 0 0 48 -3,-0.5 4,-2.4 -54,-0.3 -2,-0.2 0.920 116.9 47.6 -74.6 -47.2 -0.0 -3.9 -6.2 80 80 A L H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.929 112.4 50.0 -57.1 -49.4 1.7 -2.6 -3.0 81 81 A A H X S+ 0 0 8 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.833 110.8 50.4 -62.1 -35.4 -1.5 -3.1 -1.0 82 82 A A H X S+ 0 0 49 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.920 109.2 50.4 -67.4 -44.8 -1.8 -6.6 -2.4 83 83 A R H X S+ 0 0 86 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.899 114.2 46.0 -56.7 -44.3 1.9 -7.4 -1.4 84 84 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.937 110.7 51.0 -62.5 -49.5 1.1 -6.1 2.1 85 85 A D H X S+ 0 0 45 -4,-2.4 4,-1.9 1,-0.3 -2,-0.2 0.785 108.2 53.5 -66.0 -32.7 -2.1 -8.0 2.4 86 86 A E H X S+ 0 0 102 -4,-2.0 4,-2.4 2,-0.2 -1,-0.3 0.909 110.9 46.0 -62.5 -47.1 -0.3 -11.3 1.4 87 87 A L H X S+ 0 0 51 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.809 111.4 52.2 -69.2 -31.3 2.3 -10.7 4.2 88 88 A V H X S+ 0 0 18 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.890 114.1 43.7 -68.7 -41.3 -0.6 -9.9 6.7 89 89 A A H X S+ 0 0 38 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.873 112.7 52.3 -68.8 -41.5 -2.3 -13.2 5.8 90 90 A A H < S+ 0 0 81 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.856 117.1 37.2 -65.4 -39.0 1.0 -15.2 5.8 91 91 A K H < S+ 0 0 120 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.745 117.7 52.0 -85.3 -26.9 2.0 -14.0 9.4 92 92 A G H < S- 0 0 31 -4,-1.5 2,-2.3 -5,-0.2 -2,-0.2 0.869 73.2-173.4 -78.1 -40.0 -1.6 -14.1 10.7 93 93 A A < + 0 0 90 -4,-2.2 -1,-0.2 -5,-0.1 2,-0.1 -0.353 68.8 70.9 71.2 -55.6 -2.5 -17.7 9.6 94 94 A L S S- 0 0 141 -2,-2.3 -2,-0.1 1,-0.1 -1,-0.0 -0.400 112.7 -67.1 -74.6 163.4 -6.1 -17.0 10.7 95 95 A E - 0 0 154 1,-0.1 -1,-0.1 -2,-0.1 -6,-0.0 -0.296 34.8-148.5 -61.0 133.0 -8.3 -14.6 8.6 96 96 A H + 0 0 55 -11,-0.1 -1,-0.1 -3,-0.1 2,-0.1 0.093 44.8 149.8 -90.0 20.4 -7.1 -10.9 8.6 97 97 A H + 0 0 140 -95,-0.0 2,-0.3 1,-0.0 -3,-0.0 -0.374 16.1 170.2 -58.3 123.5 -10.8 -9.8 8.3 98 98 A H - 0 0 132 -2,-0.1 -95,-0.3 2,-0.0 2,-0.2 -0.914 18.5-153.7-141.0 112.6 -11.4 -6.4 10.0 99 99 A H + 0 0 146 -2,-0.3 2,-0.3 -97,-0.1 -97,-0.1 -0.523 24.6 160.0 -80.6 151.7 -14.7 -4.4 9.5 100 100 A H 0 0 56 -2,-0.2 -2,-0.0 -99,-0.1 0, 0.0 -0.945 360.0 360.0-159.3 171.6 -14.7 -0.6 9.8 101 101 A H 0 0 236 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.756 360.0 360.0 -96.7 360.0 -16.7 2.6 8.9