==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-DEC-05 2FIA . COMPND 2 MOLECULE: ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR R.ZHANG,M.ZHOU,S.MOY,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER F . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 20.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 3 0.9 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 . 1 0.3 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 . 22 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 3 1 0 0 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 . 0 0 2 1 3 2 2 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 2 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 77 0, 0.0 2,-0.1 0, 0.0 54,-0.1 0.000 360.0 360.0 360.0 96.6 21.5 58.9 32.2 2 2 A K - 0 0 71 52,-0.1 54,-2.4 55,-0.1 2,-0.4 0.123 360.0-126.0-117.6-160.4 22.5 56.1 32.9 3 3 A I E +A 55 0A 39 52,-0.2 2,-0.3 -2,-0.1 52,-0.2 -0.818 38.4 135.9-110.4 130.1 23.2 53.1 30.5 4 4 A R E -A 54 0A 83 50,-1.8 50,-2.3 -2,-0.4 -2,-0.0 -0.980 52.8 -74.5-162.4 165.8 21.8 49.6 30.6 5 5 A V E -A 53 0A 52 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.249 54.6-108.0 -64.8 152.7 20.3 46.7 28.6 6 6 A A - 0 0 4 46,-1.8 2,-0.3 40,-0.1 46,-0.2 -0.700 26.3-133.7 -88.7 136.8 16.7 47.1 27.4 7 7 A D > - 0 0 72 -2,-0.3 3,-2.5 1,-0.1 41,-0.1 -0.631 22.3-116.8 -85.2 146.2 13.9 45.1 29.0 8 8 A E G > S+ 0 0 101 1,-0.3 3,-0.8 -2,-0.3 -1,-0.1 0.762 113.0 69.2 -44.7 -29.1 11.3 43.3 26.9 9 9 A K G 3 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.523 86.7 66.5 -72.3 -5.1 8.8 45.6 28.6 10 10 A E G <> + 0 0 12 -3,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.155 60.3 105.1-108.6 22.2 10.1 48.8 26.8 11 11 A L T <4 S+ 0 0 17 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.117 77.5 66.1-118.7 26.3 9.2 48.1 23.1 12 12 A P T >> S+ 0 0 93 0, 0.0 3,-2.0 0, 0.0 4,-1.4 0.838 108.0 33.2 13.9-130.7 6.8 50.4 23.8 13 13 A M H 3> S+ 0 0 32 1,-0.3 4,-2.9 -4,-0.2 -2,-0.2 0.734 117.0 53.4 -33.3 -51.5 9.4 53.2 24.2 14 14 A I H 3X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 -1,-0.3 0.776 108.1 49.4 -69.9 -26.5 11.9 51.9 21.7 15 15 A L H <> S+ 0 0 58 -3,-2.0 4,-1.2 -5,-0.2 -1,-0.3 0.848 112.7 48.7 -73.8 -35.9 9.5 51.7 18.8 16 16 A Q H >X S+ 0 0 118 -4,-1.4 4,-1.9 2,-0.2 3,-0.8 0.968 111.9 49.1 -61.6 -52.9 8.3 55.2 19.6 17 17 A F H 3X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.3 -2,-0.2 0.895 108.8 53.1 -52.2 -50.0 11.9 56.4 19.7 18 18 A L H 3X S+ 0 0 3 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.761 106.8 52.9 -58.3 -31.2 12.7 54.7 16.4 19 19 A T H S+ 0 0 15 -4,-2.7 5,-3.2 1,-0.2 4,-0.8 0.874 112.4 41.3 -55.9 -41.1 16.3 61.3 9.4 26 26 A D H <5S+ 0 0 113 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.692 111.1 53.2 -95.8 -13.2 14.1 61.6 6.3 27 27 A V H <5S+ 0 0 65 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.881 111.2 50.5 -66.4 -45.9 13.2 65.3 6.8 28 28 A V H <5S- 0 0 8 -4,-2.6 -2,-0.2 -5,-0.2 255,-0.2 0.756 122.7-115.1 -61.3 -25.3 16.9 65.8 7.0 29 29 A G T <5 + 0 0 25 -4,-0.8 2,-0.5 1,-0.3 -3,-0.2 0.669 63.1 149.0 94.9 22.0 17.2 63.8 3.7 30 30 A I < - 0 0 10 -5,-3.2 2,-1.0 -6,-0.2 -1,-0.3 -0.795 35.0-155.4 -89.5 124.4 19.1 60.8 5.1 31 31 A T + 0 0 50 -2,-0.5 88,-0.3 1,-0.1 89,-0.1 -0.810 57.7 101.6-100.5 89.8 18.3 57.6 3.3 32 32 A Q + 0 0 18 -2,-1.0 2,-0.2 1,-0.5 -1,-0.1 0.544 66.7 40.1-134.4 -66.7 19.1 54.9 5.8 33 33 A W - 0 0 22 -3,-0.2 -1,-0.5 -11,-0.1 2,-0.2 -0.510 61.1-167.7 -96.0 163.1 16.2 53.3 7.8 34 34 A T - 0 0 37 3,-3.0 -12,-0.0 -2,-0.2 -1,-0.0 -0.713 43.6 -82.3-133.1-179.9 12.8 52.3 6.5 35 35 A K S S+ 0 0 182 -2,-0.2 -1,-0.0 1,-0.2 -13,-0.0 0.939 130.2 34.9 -45.2 -50.9 9.4 51.2 7.7 36 36 A D S S+ 0 0 112 1,-0.2 3,-0.5 3,-0.1 -1,-0.2 0.533 100.2 89.3 -96.9 -12.5 10.7 47.7 8.1 37 37 A Y S S+ 0 0 56 1,-0.4 -3,-3.0 105,-0.1 -1,-0.2 -0.971 98.7 21.4-132.5 121.8 14.3 48.3 9.2 38 38 A P S S+ 0 0 3 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.585 98.3 163.8 -71.3 137.9 14.6 48.5 12.1 39 39 A S >> - 0 0 44 -3,-0.5 4,-1.6 -2,-0.1 3,-0.9 -0.714 55.0 -90.5-111.6 170.0 11.3 46.6 12.8 40 40 A Q H 3> S+ 0 0 94 1,-0.3 4,-2.9 -2,-0.2 5,-0.3 0.860 125.3 57.9 -45.8 -48.4 9.9 44.9 15.9 41 41 A G H 3> S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.906 105.4 52.4 -50.1 -44.7 11.5 41.6 15.0 42 42 A D H <> S+ 0 0 38 -3,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.938 114.7 37.7 -60.5 -52.0 14.9 43.3 14.9 43 43 A I H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.826 112.8 56.6 -77.2 -29.9 14.7 44.9 18.4 44 44 A Q H X S+ 0 0 79 -4,-2.9 4,-3.2 -5,-0.2 5,-0.2 0.966 109.0 48.7 -56.6 -53.5 13.0 41.9 20.0 45 45 A E H X S+ 0 0 87 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.848 111.4 48.6 -53.3 -41.6 15.8 39.8 18.9 46 46 A D H <>S+ 0 0 1 -4,-1.5 5,-2.3 2,-0.2 6,-0.7 0.868 113.0 47.0 -72.6 -36.2 18.4 42.2 20.2 47 47 A I H ><5S+ 0 0 11 -4,-2.4 3,-2.2 1,-0.2 -2,-0.2 0.983 113.2 49.5 -64.6 -56.9 16.6 42.5 23.6 48 48 A T H 3<5S+ 0 0 98 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.848 111.2 50.8 -39.9 -46.7 16.4 38.7 23.7 49 49 A K T 3<5S- 0 0 104 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.228 110.9-117.5 -89.5 15.6 20.1 38.4 22.8 50 50 A K T < 5S+ 0 0 162 -3,-2.2 -3,-0.2 -44,-0.1 -2,-0.1 0.916 83.8 117.0 53.3 50.7 21.3 40.9 25.6 51 51 A R < + 0 0 44 -5,-2.3 16,-3.3 1,-0.1 2,-0.6 0.614 40.6 81.4-126.7 -28.8 22.5 43.1 22.8 52 52 A L E - B 0 66A 1 -6,-0.7 -46,-1.8 14,-0.3 14,-0.3 -0.842 56.0-166.6-103.8 115.2 20.7 46.4 22.8 53 53 A Y E -AB 5 65A 23 12,-2.8 12,-2.0 -2,-0.6 2,-0.4 -0.672 2.7-155.2-100.1 155.5 21.8 49.2 25.2 54 54 A L E -AB 4 64A 0 -50,-2.3 -50,-1.8 -2,-0.2 2,-0.7 -0.975 18.9-145.4-127.6 140.2 19.9 52.4 26.2 55 55 A L E +AB 3 63A 4 8,-3.4 7,-3.0 -2,-0.4 8,-1.3 -0.960 55.4 152.7 -94.3 114.4 21.0 55.7 27.5 56 56 A V E - B 0 61A 5 -54,-2.4 2,-0.3 -2,-0.7 5,-0.2 -0.962 42.5-167.4-151.2 153.5 17.9 56.2 29.7 57 57 A H E > S- B 0 60A 112 3,-1.4 3,-2.2 -2,-0.3 2,-0.2 -0.927 73.5 -36.9-149.3 130.6 16.4 57.8 32.7 58 58 A E T 3 S- 0 0 83 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.432 127.1 -26.5 49.4-118.9 13.0 56.8 34.1 59 59 A E T 3 S+ 0 0 159 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.081 115.4 104.7-109.6 22.6 10.9 56.1 31.0 60 60 A M E < -B 57 0A 84 -3,-2.2 -3,-1.4 -47,-0.0 2,-0.5 -0.891 55.0-155.9-119.1 106.8 12.9 58.4 28.6 61 61 A I E +B 56 0A 13 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.653 14.4 175.7 -77.9 119.0 15.4 57.0 26.1 62 62 A F E S- 0 0 15 -7,-3.0 22,-2.8 -2,-0.5 2,-0.3 0.867 70.1 -8.6 -87.1 -42.5 18.0 59.6 25.1 63 63 A S E -BC 55 83A 0 -8,-1.3 -8,-3.4 20,-0.2 -1,-0.4 -0.982 62.3-165.6-153.7 153.4 20.0 57.3 22.9 64 64 A M E +BC 54 82A 5 18,-2.9 18,-2.5 -2,-0.3 2,-0.3 -0.971 8.3 170.9-142.7 159.1 20.2 53.6 21.9 65 65 A A E -B 53 0A 1 -12,-2.0 -12,-2.8 -2,-0.3 2,-0.5 -0.918 28.3-130.9-165.6 139.0 22.6 51.2 20.2 66 66 A T E -BC 52 79A 3 13,-2.3 13,-2.4 -2,-0.3 2,-0.6 -0.867 24.6-162.7 -97.8 128.8 22.9 47.5 19.6 67 67 A F E - C 0 78A 3 -16,-3.3 2,-0.8 -2,-0.5 11,-0.2 -0.942 5.9-150.7-119.8 111.7 26.4 46.2 20.5 68 68 A C E + C 0 77A 12 9,-3.0 9,-1.5 -2,-0.6 2,-0.5 -0.770 22.2 167.3 -92.9 106.4 27.4 42.9 19.1 69 69 A M E - C 0 76A 51 -2,-0.8 2,-0.3 7,-0.2 7,-0.1 -0.975 22.3-159.5-112.4 128.3 29.9 41.0 21.3 70 70 A E > - 0 0 78 5,-0.6 3,-1.4 -2,-0.5 5,-0.0 -0.852 28.2 -80.1-118.6 150.7 30.2 37.4 20.1 71 71 A Q T 3 S- 0 0 134 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.172 108.1 -17.0 -49.2 121.0 31.4 34.2 21.7 72 72 A E T 3 S+ 0 0 197 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.878 102.3 148.1 46.7 48.3 35.2 34.0 21.7 73 73 A Q < - 0 0 79 -3,-1.4 -1,-0.2 2,-0.1 3,-0.0 -0.777 52.8-138.9-114.4 163.5 35.5 36.7 19.0 74 74 A D S S+ 0 0 64 -2,-0.3 36,-2.3 35,-0.1 37,-0.8 0.619 78.9 33.4 -89.1 -19.3 38.1 39.3 18.3 75 75 A F E - d 0 111A 51 34,-0.2 -5,-0.6 35,-0.2 2,-0.3 -0.691 62.2-134.5-138.9 172.3 35.8 42.2 17.4 76 76 A V E -Cd 69 112A 0 35,-1.8 37,-2.8 -2,-0.2 2,-0.5 -0.944 13.3-138.5-136.9 162.5 32.5 44.0 18.1 77 77 A W E -Cd 68 113A 52 -9,-1.5 -9,-3.0 -2,-0.3 2,-0.5 -0.981 3.4-155.6-127.0 118.9 29.8 45.5 15.9 78 78 A L E +C 67 0A 5 35,-3.1 37,-0.4 -2,-0.5 2,-0.3 -0.858 30.4 168.8 -89.7 125.8 28.1 48.8 16.6 79 79 A K E +C 66 0A 62 -13,-2.4 -13,-2.3 -2,-0.5 -2,-0.0 -0.942 49.2 10.6-139.7 154.7 24.7 48.6 14.8 80 80 A R E S+ 0 0 33 -2,-0.3 2,-0.4 -15,-0.2 -1,-0.1 0.841 74.7 177.1 42.1 48.6 21.4 50.6 14.7 81 81 A F E + 0 0 20 -16,-0.2 2,-0.3 -3,-0.1 -16,-0.2 -0.691 7.1 158.2 -83.9 128.0 23.0 53.5 16.7 82 82 A A E -C 64 0A 5 -18,-2.5 -18,-2.9 -2,-0.4 2,-0.3 -0.986 28.1-158.1-157.6 140.7 20.6 56.4 17.2 83 83 A T E -C 63 0A 9 -2,-0.3 -20,-0.2 -20,-0.2 5,-0.1 -0.896 37.7-101.3-117.8 147.1 20.1 59.4 19.4 84 84 A S >> - 0 0 3 -22,-2.8 3,-2.2 -2,-0.3 4,-0.6 -0.484 31.2-123.9 -66.8 137.4 16.8 61.3 19.9 85 85 A P G >4 S+ 0 0 3 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.816 110.7 59.6 -54.9 -32.7 16.7 64.5 17.8 86 86 A N G 34 S+ 0 0 46 1,-0.2 158,-0.2 158,-0.2 4,-0.1 0.705 110.7 41.1 -63.8 -23.5 16.0 66.5 21.0 87 87 A Y G <>>S+ 0 0 37 -3,-2.2 5,-1.4 -25,-0.2 4,-0.9 0.382 84.5 91.9-114.0 2.9 19.2 65.3 22.6 88 88 A I T X<5S+ 0 0 4 -4,-0.6 3,-1.0 -3,-0.6 6,-0.2 0.906 84.2 58.4 -61.9 -42.1 21.8 65.4 19.8 89 89 A A T 345S+ 0 0 19 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.762 104.0 51.2 -61.6 -28.8 22.7 69.0 20.8 90 90 A K T 345S- 0 0 125 -3,-0.5 -1,-0.3 -4,-0.1 -2,-0.2 0.671 111.7-124.4 -82.1 -19.9 23.7 67.7 24.3 91 91 A G T < + 0 0 50 -5,-1.4 4,-2.5 1,-0.2 5,-0.3 0.857 66.5 65.8 -71.3 -35.2 24.3 62.1 24.4 93 93 A G H > S+ 0 0 1 1,-0.2 4,-2.5 -6,-0.2 -1,-0.2 0.912 101.1 51.6 -46.3 -44.4 25.1 59.8 21.4 94 94 A S H > S+ 0 0 33 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.866 107.4 52.4 -67.4 -35.8 28.8 60.4 22.3 95 95 A L H X S+ 0 0 84 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.981 111.5 44.7 -60.9 -57.1 28.1 59.4 25.9 96 96 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.905 114.6 52.1 -52.3 -42.8 26.4 56.1 24.9 97 97 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.958 107.4 47.6 -61.6 -53.1 29.2 55.5 22.4 98 98 A H H X S+ 0 0 77 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.760 110.4 53.6 -66.2 -25.1 32.2 56.0 24.7 99 99 A E H X S+ 0 0 63 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.939 110.1 46.1 -69.7 -49.4 30.7 53.7 27.4 100 100 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.893 110.4 53.6 -61.7 -39.5 30.2 50.9 24.9 101 101 A E H X S+ 0 0 25 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.906 107.2 53.1 -60.2 -40.9 33.7 51.4 23.6 102 102 A K H X S+ 0 0 122 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.926 106.4 51.9 -57.9 -48.6 34.9 51.0 27.2 103 103 A R H < S+ 0 0 64 -4,-2.1 4,-0.3 1,-0.2 3,-0.2 0.923 111.1 46.7 -55.2 -50.3 33.1 47.7 27.6 104 104 A A H ><>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 3,-0.8 0.853 103.7 66.0 -60.6 -35.6 34.7 46.3 24.5 105 105 A V H ><5S+ 0 0 34 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.902 111.5 29.0 -62.4 -46.1 38.1 47.5 25.6 106 106 A W T 3<5S+ 0 0 181 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.130 104.4 72.8-110.2 25.8 38.6 45.3 28.7 107 107 A E T < 5S- 0 0 122 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.178 120.1-115.6 -87.3 0.4 36.5 42.5 27.3 108 108 A G T < 5 + 0 0 57 -3,-0.5 -3,-0.2 1,-0.2 -2,-0.1 0.464 62.5 152.7 87.4 4.6 39.7 42.4 25.3 109 109 A R < - 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