==== 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 30-MAR-10 2KW2 . COMPND 2 MOLECULE: SPECIALIZED ACYL CARRIER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR P.ROSSI,H.LEE,T.J.WOHLBOLD,H.VALAFAR,A.LEMAK,A.ERTEKIN,F.FOR . 101 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 75.2 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 . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 48.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.0 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 0 1 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 0 226 0, 0.0 2,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 110.5 -2.6 17.8 6.8 2 2 A T - 0 0 116 4,-0.1 2,-0.1 3,-0.1 0, 0.0 -0.619 360.0-178.1 -69.1 102.8 -2.8 15.6 3.7 3 3 A S > - 0 0 66 -2,-0.9 4,-1.2 1,-0.0 3,-0.4 -0.413 45.7 -94.0 -94.0 174.6 -0.2 12.8 4.5 4 4 A T H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.877 127.5 55.3 -54.0 -37.4 0.9 9.8 2.4 5 5 A F H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.820 97.6 61.6 -68.7 -35.5 -1.8 7.7 4.3 6 6 A D H > S+ 0 0 55 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.898 111.1 40.2 -56.8 -43.2 -4.6 10.2 3.2 7 7 A R H X S+ 0 0 121 -4,-1.2 4,-2.2 -3,-0.2 -2,-0.2 0.894 114.4 51.4 -72.5 -44.9 -3.9 9.3 -0.4 8 8 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.887 109.4 51.3 -60.0 -42.1 -3.3 5.5 0.2 9 9 A A H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.882 111.2 48.0 -62.9 -41.8 -6.7 5.3 2.1 10 10 A T H X S+ 0 0 24 -4,-1.2 4,-2.2 -5,-0.2 5,-0.2 0.878 110.5 52.6 -63.4 -42.7 -8.4 7.0 -0.9 11 11 A I H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.978 113.2 41.6 -56.8 -58.6 -6.6 4.5 -3.4 12 12 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 6,-0.8 0.813 112.5 57.7 -62.4 -34.1 -7.8 1.4 -1.5 13 13 A A H X S+ 0 0 15 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.953 115.2 33.2 -59.2 -53.5 -11.3 2.9 -1.0 14 14 A E H < S+ 0 0 151 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.729 123.7 47.4 -80.6 -25.4 -11.9 3.5 -4.8 15 15 A T H < S+ 0 0 39 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.973 124.3 26.5 -75.9 -62.4 -10.0 0.3 -5.9 16 16 A C H < S- 0 0 24 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.414 102.4-122.7 -85.8 -2.9 -11.4 -2.3 -3.4 17 17 A D < + 0 0 142 -4,-0.7 -4,-0.2 1,-0.2 -3,-0.2 0.598 61.2 150.3 65.1 16.2 -14.7 -0.5 -3.0 18 18 A I - 0 0 27 -6,-0.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.681 49.9-117.3 -79.3 120.7 -14.0 -0.4 0.8 19 19 A P >> - 0 0 66 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.267 14.2-123.0 -62.0 145.1 -15.6 2.7 2.4 20 20 A R G >4 S+ 0 0 117 1,-0.2 3,-0.9 2,-0.2 -2,-0.0 0.809 110.5 64.0 -54.7 -34.5 -13.3 5.3 4.0 21 21 A E G 34 S+ 0 0 172 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.843 103.7 45.6 -59.7 -38.2 -15.2 4.9 7.3 22 22 A T G <4 S+ 0 0 70 -3,-1.0 2,-0.4 2,-0.0 -1,-0.2 0.503 97.2 93.5 -86.8 -6.1 -14.1 1.2 7.6 23 23 A I << + 0 0 13 -3,-0.9 3,-0.0 -4,-0.5 -14,-0.0 -0.745 50.2 165.7 -90.0 133.9 -10.4 2.2 6.7 24 24 A T > - 0 0 73 -2,-0.4 3,-1.2 1,-0.1 53,-0.3 -0.972 45.6-113.2-144.5 153.1 -7.9 2.9 9.6 25 25 A P T 3 S+ 0 0 59 0, 0.0 53,-2.2 0, 0.0 54,-0.3 0.888 116.8 46.5 -52.5 -43.2 -4.0 3.2 9.9 26 26 A E T 3 S+ 0 0 163 51,-0.2 2,-0.1 52,-0.1 50,-0.0 0.494 88.3 112.3 -85.8 -3.6 -3.6 0.1 12.0 27 27 A S < - 0 0 4 -3,-1.2 50,-2.5 49,-0.1 2,-0.4 -0.464 64.4-136.2 -68.6 137.4 -5.9 -2.0 9.7 28 28 A H B >> -A 76 0A 18 48,-0.3 5,-2.3 -2,-0.1 4,-1.3 -0.871 6.0-137.6 -98.2 131.3 -4.1 -4.8 7.7 29 29 A A I 4>S+ 0 0 0 46,-1.8 6,-2.4 -2,-0.4 5,-1.0 0.951 101.1 24.6 -49.9 -59.0 -5.0 -5.2 4.0 30 30 A I I 45S+ 0 0 68 4,-0.3 4,-0.4 3,-0.2 -1,-0.1 0.968 129.5 40.9 -74.4 -55.3 -5.1 -9.0 4.0 31 31 A D I 45S+ 0 0 135 2,-0.1 -2,-0.1 3,-0.1 -1,-0.1 0.938 132.6 15.6 -63.1 -55.3 -5.9 -9.8 7.7 32 32 A D I <5S+ 0 0 102 -4,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.968 133.3 36.8 -86.8 -65.7 -8.5 -7.0 8.5 33 33 A L I - 0 0 96 -2,-0.4 4,-2.3 1,-0.1 3,-0.5 -0.496 27.0-106.9 -89.0 159.2 -6.4 -10.5 -2.0 37 37 A S H > S+ 0 0 68 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.848 120.9 54.6 -49.5 -38.5 -3.1 -10.4 -4.0 38 38 A L H > S+ 0 0 122 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.832 111.4 43.2 -71.1 -35.2 -5.1 -9.8 -7.2 39 39 A D H > S+ 0 0 42 -3,-0.5 4,-1.3 1,-0.2 3,-0.4 0.846 110.1 56.5 -74.1 -37.6 -6.9 -6.8 -5.7 40 40 A F H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.695 95.7 66.2 -71.4 -22.0 -3.6 -5.5 -4.2 41 41 A L H X S+ 0 0 97 -4,-1.1 4,-1.6 -5,-0.2 -1,-0.2 0.938 105.3 43.8 -57.1 -47.2 -2.1 -5.5 -7.7 42 42 A D H X S+ 0 0 96 -4,-0.7 4,-1.9 -3,-0.4 -2,-0.2 0.800 113.5 51.9 -67.3 -35.4 -4.6 -2.7 -8.6 43 43 A I H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.962 113.1 42.3 -64.9 -53.1 -3.8 -0.9 -5.2 44 44 A A H X S+ 0 0 5 -4,-2.6 4,-1.7 1,-0.2 11,-0.2 0.768 116.1 50.8 -67.3 -29.0 -0.0 -0.9 -5.8 45 45 A F H X S+ 0 0 130 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.840 110.1 48.3 -76.1 -38.4 -0.6 0.1 -9.4 46 46 A A H X S+ 0 0 30 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.860 114.1 47.1 -70.3 -36.6 -2.9 3.0 -8.5 47 47 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.4 0.883 108.0 57.0 -66.5 -42.5 -0.3 4.1 -5.9 48 48 A D H <>S+ 0 0 48 -4,-1.7 5,-1.6 1,-0.2 4,-0.4 0.896 117.8 33.1 -54.2 -44.0 2.5 3.7 -8.5 49 49 A K H <5S+ 0 0 145 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.835 118.8 51.9 -83.7 -37.1 0.6 6.2 -10.8 50 50 A A H <5S+ 0 0 64 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.945 119.2 32.4 -70.9 -51.9 -1.0 8.5 -8.1 51 51 A F T <5S- 0 0 26 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.638 107.3-124.8 -78.7 -18.0 2.2 9.3 -6.2 52 52 A G T 5 + 0 0 50 -5,-0.4 2,-0.3 -4,-0.4 -3,-0.2 0.955 67.3 124.8 68.3 50.5 4.3 9.1 -9.4 53 53 A I < - 0 0 16 -5,-1.6 2,-0.9 -6,-0.3 -1,-0.3 -0.904 69.7-109.2-133.1 160.4 6.8 6.5 -8.0 54 54 A K - 0 0 179 -2,-0.3 -5,-0.0 33,-0.1 -6,-0.0 -0.838 33.2-167.3 -94.7 96.9 8.0 3.0 -9.0 55 55 A L - 0 0 14 -2,-0.9 2,-1.5 -11,-0.2 3,-0.2 -0.814 9.9-152.0 -83.3 111.3 6.4 0.7 -6.4 56 56 A P >> + 0 0 37 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.619 29.4 162.1 -87.6 81.9 8.2 -2.7 -6.9 57 57 A L H 3> S+ 0 0 20 -2,-1.5 4,-2.8 1,-0.2 5,-0.4 0.801 71.4 69.3 -68.7 -28.1 5.3 -5.0 -5.8 58 58 A E H 3> S+ 0 0 177 -3,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.810 107.0 38.7 -55.7 -33.3 7.2 -7.9 -7.5 59 59 A K H <> S+ 0 0 109 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.924 114.7 51.6 -80.1 -49.7 9.8 -7.4 -4.7 60 60 A W H X S+ 0 0 6 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.885 112.3 45.8 -60.3 -48.8 7.3 -6.8 -1.8 61 61 A T H X S+ 0 0 47 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.901 113.6 51.7 -52.2 -46.2 5.3 -10.0 -2.6 62 62 A Q H X S+ 0 0 93 -4,-0.7 4,-2.2 -5,-0.4 6,-0.3 0.841 102.6 58.5 -64.2 -37.5 8.6 -11.9 -3.0 63 63 A E H <>S+ 0 0 39 -4,-2.3 5,-2.0 2,-0.2 6,-1.8 0.907 113.0 39.5 -59.9 -42.7 9.8 -10.7 0.5 64 64 A V H ><5S+ 0 0 35 -4,-1.4 3,-1.3 4,-0.2 -2,-0.2 0.937 116.4 49.5 -71.0 -50.0 6.8 -12.3 2.1 65 65 A N H 3<5S+ 0 0 122 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.765 113.1 47.2 -61.5 -31.4 6.8 -15.5 -0.1 66 66 A D T 3<5S- 0 0 82 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.368 114.1-117.7 -94.5 0.9 10.5 -16.1 0.5 67 67 A G T < 5S+ 0 0 65 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.656 85.0 117.2 72.7 17.6 10.0 -15.6 4.3 68 68 A K S > - 0 0 87 -2,-0.3 3,-0.6 -3,-0.1 4,-0.6 -0.732 28.6-113.9-108.4 159.6 5.9 -10.4 6.8 71 71 A T H >> S+ 0 0 48 -2,-0.3 4,-1.3 1,-0.2 3,-0.9 0.823 111.3 70.5 -58.2 -33.5 2.6 -9.2 5.3 72 72 A E H >> S+ 0 0 123 1,-0.2 4,-1.5 3,-0.2 3,-0.5 0.894 94.2 53.2 -49.8 -48.5 2.4 -6.6 8.2 73 73 A Q H <4 S+ 0 0 81 -3,-0.6 10,-0.2 1,-0.2 -1,-0.2 0.773 124.0 24.6 -61.9 -30.9 5.3 -4.5 6.8 74 74 A Y H << S+ 0 0 18 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.327 129.2 38.4-121.0 5.0 3.8 -4.1 3.2 75 75 A F H << S+ 0 0 12 -4,-1.3 -46,-1.8 -3,-0.5 2,-0.3 0.612 81.5 97.2-133.7 -32.5 -0.0 -4.5 3.9 76 76 A V B >X S-A 28 0A 11 -4,-1.5 4,-3.0 -5,-0.5 3,-0.6 -0.585 81.9-126.7 -59.9 127.3 -0.9 -2.8 7.2 77 77 A L H 3> S+ 0 0 0 -50,-2.5 4,-2.1 -53,-0.3 -51,-0.2 0.761 106.2 44.3 -59.7 -38.4 -2.1 0.6 5.8 78 78 A K H 3> S+ 0 0 97 -53,-2.2 4,-1.0 -51,-0.3 -1,-0.3 0.847 116.9 46.9 -69.5 -36.8 0.3 2.8 7.9 79 79 A N H <> S+ 0 0 31 -3,-0.6 4,-2.0 -54,-0.3 -2,-0.2 0.898 113.7 48.1 -70.5 -46.2 3.3 0.4 7.2 80 80 A L H X S+ 0 0 0 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.932 112.2 49.4 -52.2 -49.6 2.4 0.4 3.5 81 81 A A H X S+ 0 0 7 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.709 108.5 54.1 -68.2 -24.5 2.1 4.2 3.7 82 82 A A H X S+ 0 0 56 -4,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.879 109.3 46.8 -73.6 -42.4 5.6 4.3 5.4 83 83 A R H X S+ 0 0 68 -4,-2.0 4,-1.2 -10,-0.2 -2,-0.2 0.784 115.4 46.6 -67.3 -31.3 7.1 2.3 2.5 84 84 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.871 108.4 54.3 -77.6 -42.4 5.4 4.6 0.0 85 85 A D H X S+ 0 0 85 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.816 106.5 55.3 -55.0 -34.6 6.6 7.7 2.0 86 86 A E H X S+ 0 0 101 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.927 109.1 45.3 -61.0 -49.5 10.0 6.1 1.6 87 87 A L H X S+ 0 0 32 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.834 113.6 47.9 -68.4 -37.7 9.6 6.0 -2.3 88 88 A V H X S+ 0 0 33 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.766 112.3 50.4 -74.9 -27.9 8.2 9.6 -2.5 89 89 A A H X S+ 0 0 51 -4,-1.4 4,-0.9 -5,-0.2 -2,-0.2 0.797 105.2 59.6 -72.3 -34.1 11.1 10.8 -0.3 90 90 A A H < S+ 0 0 54 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.911 109.2 40.2 -59.5 -47.8 13.5 8.9 -2.7 91 91 A K H >< S+ 0 0 103 -4,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.831 115.7 52.8 -71.4 -33.7 12.4 11.0 -5.7 92 92 A G H >< S+ 0 0 42 -4,-1.3 3,-1.6 1,-0.2 -2,-0.2 0.675 92.7 74.1 -67.7 -20.2 12.4 14.1 -3.4 93 93 A A T 3< S+ 0 0 75 -4,-0.9 -1,-0.2 1,-0.3 4,-0.2 0.710 77.8 75.5 -67.3 -23.1 16.0 13.1 -2.4 94 94 A L T < S+ 0 0 135 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.1 0.566 71.5 116.3 -60.8 -13.4 17.1 14.4 -5.9 95 95 A E S < S- 0 0 96 -3,-1.6 2,-1.3 1,-0.1 4,-0.0 -0.376 75.0-123.7 -59.5 137.5 16.6 17.9 -4.3 96 96 A H - 0 0 155 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.608 52.7 -81.5 -96.7 71.3 19.9 19.9 -4.1 97 97 A H S S+ 0 0 184 -2,-1.3 2,-0.9 -4,-0.2 -1,-0.1 0.524 88.2 134.6 50.3 19.2 20.3 20.7 -0.4 98 98 A H - 0 0 117 2,-0.1 2,-1.8 1,-0.0 -1,-0.2 -0.799 45.0-156.3-100.4 91.2 18.0 23.8 -0.6 99 99 A H + 0 0 197 -2,-0.9 2,-0.3 2,-0.1 -1,-0.0 -0.519 57.0 95.2 -73.1 81.7 15.7 23.3 2.5 100 100 A H 0 0 138 -2,-1.8 -2,-0.1 0, 0.0 0, 0.0 -0.876 360.0 360.0-168.9 139.2 12.7 25.4 1.2 101 101 A H 0 0 239 -2,-0.3 -2,-0.1 0, 0.0 0, 0.0 -0.673 360.0 360.0 -74.2 360.0 9.4 24.6 -0.6