==== 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-OCT-11 2LL8 . COMPND 2 MOLECULE: SPECIALIZED ACYL CARRIER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR T.A.RAMELOT,S.NI,P.ROSSI,Y.YANG,H.WANG,C.CICCOSANTI,M.MAGLAQ . 101 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 68.3 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 . 4 4.0 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 . 47 46.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 5.0 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 0 1 0 0 1 0 2 0 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 0 253 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.7 -17.5 5.0 -1.4 2 2 A T - 0 0 70 3,-0.0 2,-0.1 4,-0.0 0, 0.0 -0.913 360.0-150.1-152.9 119.1 -13.7 5.6 -0.8 3 3 A S > - 0 0 81 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.242 37.9 -93.7 -82.8 176.3 -10.9 3.8 -2.7 4 4 A T H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.897 129.1 52.5 -56.0 -42.5 -7.3 2.9 -1.5 5 5 A F H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.896 108.0 49.9 -56.5 -47.7 -6.2 6.2 -3.2 6 6 A D H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.834 110.1 50.7 -66.4 -36.2 -8.9 8.2 -1.3 7 7 A R H X S+ 0 0 107 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.944 113.2 45.7 -61.5 -51.1 -7.8 6.5 2.1 8 8 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.901 111.7 52.4 -56.1 -45.7 -4.1 7.5 1.3 9 9 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.831 109.3 48.7 -65.2 -38.6 -5.2 11.0 0.3 10 10 A T H X S+ 0 0 50 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.931 111.6 50.3 -61.8 -47.2 -7.1 11.5 3.6 11 11 A I H X S+ 0 0 21 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.820 108.4 52.5 -62.2 -33.8 -4.0 10.2 5.5 12 12 A I H X>S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.6 0.903 110.2 48.2 -68.5 -43.1 -1.8 12.7 3.5 13 13 A A H X5S+ 0 0 28 -4,-1.8 4,-0.5 4,-0.2 -2,-0.2 0.869 114.3 47.3 -61.6 -40.7 -4.2 15.5 4.6 14 14 A E H <5S+ 0 0 154 -4,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.936 122.6 32.0 -64.6 -47.9 -4.0 14.3 8.3 15 15 A T H <5S+ 0 0 58 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.964 136.5 13.8 -82.6 -57.3 -0.2 13.9 8.4 16 16 A C H <5S- 0 0 33 -4,-2.0 -3,-0.2 -5,-0.2 -1,-0.1 0.365 98.0-118.3-109.2 2.0 1.5 16.6 6.1 17 17 A D << + 0 0 138 -5,-0.6 -4,-0.2 -4,-0.5 -3,-0.1 0.989 51.0 162.9 52.0 69.1 -1.7 18.8 5.6 18 18 A I - 0 0 28 -6,-0.3 -1,-0.2 -9,-0.2 -2,-0.1 -0.992 44.6-108.4-115.1 124.2 -2.0 18.6 1.8 19 19 A P > - 0 0 67 0, 0.0 3,-0.9 0, 0.0 -9,-0.0 -0.327 15.9-139.6 -62.2 127.5 -5.5 19.6 0.4 20 20 A R G > S+ 0 0 93 1,-0.3 3,-1.3 2,-0.2 -10,-0.0 0.803 103.3 58.7 -53.3 -34.8 -7.6 16.7 -0.8 21 21 A E G 3 S+ 0 0 175 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.863 105.9 47.6 -63.4 -38.4 -8.8 18.8 -3.8 22 22 A T G < S+ 0 0 70 -3,-0.9 2,-0.6 1,-0.0 -1,-0.3 0.117 93.0 93.9 -93.6 18.4 -5.1 19.3 -5.0 23 23 A I < - 0 0 4 -3,-1.3 -14,-0.1 -5,-0.1 -1,-0.0 -0.941 55.8-179.4-112.9 103.1 -4.5 15.5 -4.6 24 24 A T > - 0 0 72 -2,-0.6 3,-1.4 1,-0.1 53,-0.3 -0.695 38.1-120.1 -96.6 155.2 -5.0 13.7 -8.0 25 25 A P T 3 S+ 0 0 60 0, 0.0 53,-1.9 0, 0.0 54,-0.3 0.839 117.3 50.8 -61.7 -28.7 -4.6 9.8 -8.5 26 26 A E T 3 S+ 0 0 137 51,-0.2 2,-0.2 52,-0.1 -3,-0.0 0.212 88.4 118.8 -96.9 16.7 -1.8 10.6 -11.1 27 27 A S < - 0 0 2 -3,-1.4 50,-2.4 5,-0.0 2,-0.6 -0.556 65.5-129.1 -83.7 143.9 0.0 13.0 -8.7 28 28 A H B >> -A 76 0A 23 48,-0.2 5,-2.2 -2,-0.2 4,-1.5 -0.878 13.2-147.6 -92.6 116.0 3.6 12.3 -7.5 29 29 A A T 45S+ 0 0 0 46,-2.6 6,-1.4 -2,-0.6 -1,-0.1 0.824 95.3 31.6 -51.8 -35.1 3.7 12.5 -3.7 30 30 A I T 45S+ 0 0 54 45,-0.4 -1,-0.2 4,-0.2 4,-0.1 0.907 129.8 31.2 -95.1 -45.4 7.3 13.8 -3.6 31 31 A D T 45S+ 0 0 139 3,-0.2 -2,-0.1 44,-0.1 -4,-0.0 0.931 131.7 27.0 -82.3 -49.2 7.6 15.9 -6.9 32 32 A D T <5S+ 0 0 101 -4,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.931 128.9 37.9 -85.5 -51.8 4.0 17.2 -7.4 33 33 A L S - 0 0 88 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.361 25.8-110.4 -71.2 157.8 9.8 14.8 1.4 37 37 A S H > S+ 0 0 45 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.764 121.2 52.8 -61.2 -28.6 10.6 11.0 1.8 38 38 A L H > S+ 0 0 113 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.902 111.2 44.7 -70.2 -45.9 10.8 11.5 5.6 39 39 A D H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.807 111.0 55.8 -64.5 -30.9 7.3 13.2 5.6 40 40 A F H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.737 99.8 59.6 -75.4 -26.5 6.2 10.3 3.3 41 41 A L H X S+ 0 0 61 -4,-0.8 4,-2.5 -3,-0.2 5,-0.3 0.932 105.2 48.7 -62.0 -47.6 7.5 7.8 6.0 42 42 A D H X S+ 0 0 104 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.881 115.9 44.0 -59.3 -41.1 4.9 9.4 8.4 43 43 A I H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.923 115.3 48.0 -65.6 -43.4 2.2 9.1 5.7 44 44 A A H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 11,-0.2 0.752 111.8 48.3 -77.7 -29.3 3.3 5.5 4.7 45 45 A F H X S+ 0 0 117 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.779 111.0 51.7 -76.0 -33.1 3.4 4.2 8.4 46 46 A A H X S+ 0 0 35 -4,-1.2 4,-1.4 -5,-0.3 -2,-0.2 0.870 114.8 42.8 -69.1 -37.5 -0.1 5.8 8.9 47 47 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 6,-0.3 0.913 111.5 56.8 -65.4 -47.7 -1.1 3.9 5.7 48 48 A D H X>S+ 0 0 12 -4,-2.1 5,-1.8 1,-0.2 4,-0.5 0.904 113.8 36.4 -51.4 -53.8 0.7 0.7 6.9 49 49 A K H <5S+ 0 0 168 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.812 114.3 58.4 -73.3 -35.2 -1.2 0.5 10.2 50 50 A A H <5S+ 0 0 69 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.965 115.2 33.4 -59.0 -56.5 -4.5 1.7 8.6 51 51 A F H <5S- 0 0 47 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.524 109.2-123.2 -79.2 -7.1 -4.7 -1.2 6.0 52 52 A G T <5S+ 0 0 38 -4,-0.5 -3,-0.2 -5,-0.3 -4,-0.1 0.771 73.9 114.9 66.7 29.4 -3.0 -3.6 8.5 53 53 A I < - 0 0 12 -5,-1.8 2,-0.4 -6,-0.3 -1,-0.2 -0.333 66.4-114.2-112.9-169.5 -0.2 -4.3 6.0 54 54 A K - 0 0 130 33,-0.1 -9,-0.1 -2,-0.1 -5,-0.0 -0.928 18.0-157.4-137.4 111.3 3.6 -3.7 5.7 55 55 A L - 0 0 12 -2,-0.4 2,-1.8 -11,-0.2 3,-0.3 -0.787 15.2-142.5 -82.4 122.7 5.1 -1.4 3.0 56 56 A P > + 0 0 40 0, 0.0 4,-2.5 0, 0.0 5,-0.1 -0.549 40.7 159.5 -78.4 69.2 8.8 -2.2 2.2 57 57 A L H > + 0 0 15 -2,-1.8 4,-2.7 1,-0.2 5,-0.2 0.860 68.5 52.7 -64.4 -39.7 9.4 1.6 1.9 58 58 A E H > S+ 0 0 141 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.884 111.8 47.0 -64.0 -40.7 13.1 1.3 2.5 59 59 A K H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.941 113.3 47.9 -63.1 -49.7 13.2 -1.3 -0.4 60 60 A W H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.895 114.8 45.4 -60.5 -42.8 11.1 0.9 -2.7 61 61 A T H X S+ 0 0 32 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.812 112.0 51.1 -74.0 -30.9 13.2 4.1 -2.0 62 62 A Q H X S+ 0 0 101 -4,-1.8 4,-0.7 2,-0.2 6,-0.2 0.886 111.8 47.8 -76.0 -36.1 16.6 2.1 -2.4 63 63 A E H X>S+ 0 0 48 -4,-2.3 5,-2.3 2,-0.2 6,-1.5 0.911 112.6 50.0 -65.7 -45.2 15.3 0.7 -5.8 64 64 A V H ><5S+ 0 0 15 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.953 116.6 38.8 -56.0 -56.1 14.2 4.3 -6.9 65 65 A N H 3<5S+ 0 0 135 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.490 113.9 56.4 -80.5 -5.4 17.6 5.9 -5.9 66 66 A D H 3<5S- 0 0 116 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.485 114.0-116.9 -94.6 -6.7 19.6 2.9 -7.3 67 67 A G T <<5S+ 0 0 66 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.635 86.0 118.3 73.6 15.5 17.9 3.3 -10.7 68 68 A K S - 0 0 83 -2,-0.3 3,-0.6 -3,-0.1 4,-0.5 -0.488 31.8-118.7 -72.4 150.8 11.5 4.9 -11.7 71 71 A T T >> S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 3,-1.7 0.951 113.1 53.9 -55.7 -55.3 10.4 7.3 -8.9 72 72 A E H 3> S+ 0 0 110 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.696 91.2 76.0 -50.9 -28.9 6.7 7.5 -10.2 73 73 A Q H <4 S+ 0 0 86 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.813 119.4 11.3 -58.3 -33.3 6.5 3.6 -10.1 74 74 A Y H <4 S+ 0 0 20 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.662 130.3 53.7-112.0 -30.5 6.0 3.7 -6.3 75 75 A F H < S+ 0 0 4 -4,-2.4 -46,-2.6 -5,-0.2 2,-0.5 0.301 79.0 96.4-103.5 7.7 5.5 7.5 -5.6 76 76 A V B >X S-A 28 0A 17 -4,-1.5 4,-2.6 -48,-0.3 3,-1.2 -0.914 80.4-128.5 -95.2 125.3 2.5 8.2 -8.0 77 77 A L H 3> S+ 0 0 0 -50,-2.4 4,-2.0 -2,-0.5 -51,-0.2 0.618 105.7 47.8 -54.8 -28.7 -0.6 7.9 -5.8 78 78 A K H 3> S+ 0 0 96 -53,-1.9 4,-1.4 -51,-0.2 -1,-0.3 0.844 117.2 43.4 -77.1 -37.1 -2.5 5.5 -8.1 79 79 A N H <> S+ 0 0 54 -3,-1.2 4,-1.9 -54,-0.3 -2,-0.2 0.870 116.0 48.8 -70.9 -40.9 0.6 3.2 -8.4 80 80 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.935 111.8 48.3 -61.6 -49.4 1.2 3.7 -4.6 81 81 A A H X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.816 112.1 50.2 -61.9 -33.2 -2.5 2.7 -4.0 82 82 A A H X S+ 0 0 56 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.848 109.9 50.2 -72.4 -36.0 -2.0 -0.3 -6.3 83 83 A R H X S+ 0 0 58 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.902 112.9 45.9 -66.5 -44.1 1.2 -1.3 -4.4 84 84 A I H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 3,-0.3 0.934 114.5 47.5 -63.0 -48.5 -0.7 -1.0 -1.0 85 85 A D H X S+ 0 0 85 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.820 108.6 55.5 -61.8 -36.4 -3.7 -3.0 -2.4 86 86 A E H X S+ 0 0 51 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.829 110.5 45.2 -64.2 -35.1 -1.2 -5.6 -3.9 87 87 A L H X S+ 0 0 25 -4,-1.4 4,-0.9 -3,-0.3 -2,-0.2 0.650 108.7 55.5 -84.7 -21.3 0.2 -6.0 -0.3 88 88 A V H X S+ 0 0 51 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.816 110.4 46.9 -73.3 -33.7 -3.5 -6.2 1.1 89 89 A A H <>S+ 0 0 31 -4,-1.9 5,-1.4 2,-0.2 -2,-0.2 0.882 112.7 47.9 -70.4 -40.7 -3.9 -9.0 -1.4 90 90 A A H ><5S+ 0 0 38 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.751 105.8 60.1 -67.4 -29.7 -0.6 -10.5 -0.1 91 91 A K H 3<5S+ 0 0 128 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.848 105.1 47.5 -65.1 -36.5 -1.9 -9.9 3.4 92 92 A G T 3<5S- 0 0 59 -4,-1.3 -1,-0.2 1,-0.0 -2,-0.2 0.317 112.6-127.2 -84.8 5.9 -4.8 -12.3 2.5 93 93 A A T < 5 - 0 0 77 -3,-0.9 4,-0.3 -5,-0.1 -3,-0.2 0.404 38.4-123.6 63.2 5.0 -2.1 -14.7 1.1 94 94 A L < - 0 0 47 -5,-1.4 4,-0.1 1,-0.1 -4,-0.0 -0.014 5.7-120.3 48.1-167.2 -4.1 -14.8 -2.2 95 95 A E S S+ 0 0 163 2,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.312 110.0 51.5-139.1 -14.5 -5.3 -18.1 -3.7 96 96 A H S S- 0 0 123 1,-0.3 -2,-0.1 2,-0.0 -3,-0.0 0.128 118.4-109.5-104.8 14.6 -3.5 -17.9 -7.1 97 97 A H - 0 0 98 -4,-0.3 -1,-0.3 4,-0.1 -2,-0.2 0.198 27.3 -90.0 68.3 165.7 -0.2 -17.2 -5.2 98 98 A H S S- 0 0 61 -5,-0.1 -3,-0.1 -4,-0.1 -2,-0.0 0.987 104.7 -20.4 -72.4 -80.3 1.7 -13.8 -5.2 99 99 A H S S- 0 0 177 2,-0.2 0, 0.0 0, 0.0 0, 0.0 0.888 129.2 -46.2 -89.0 -67.9 4.1 -14.0 -8.2 100 100 A H 0 0 171 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.404 360.0 360.0-133.3 -29.4 4.2 -17.8 -8.6 101 101 A H 0 0 195 -4,-0.1 -2,-0.2 0, 0.0 -1,-0.1 -0.873 360.0 360.0-129.7 360.0 4.7 -18.7 -4.9