==== 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 17-OCT-08 3EY5 . COMPND 2 MOLECULE: ACETYLTRANSFERASE-LIKE, GNAT FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR J.OSIPIUK,L.BIGELOW,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR . 176 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 21.6 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 . 2 1.1 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 . 20 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 0 0 0 0 0 1 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 1 1 1 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 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 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 I 0 0 42 0, 0.0 2,-0.3 0, 0.0 52,-0.2 0.000 360.0 360.0 360.0 140.3 -10.8 0.7 18.3 2 3 A R E -A 52 0A 101 50,-2.2 50,-3.5 52,-0.1 2,-0.5 -0.999 360.0-148.4-145.1 134.5 -9.3 -2.6 17.6 3 4 A F E -A 51 0A 12 -2,-0.3 48,-0.2 48,-0.2 57,-0.0 -0.901 16.7-175.2-104.4 131.2 -6.5 -4.0 15.4 4 5 A Q E -A 50 0A 52 46,-2.5 46,-2.2 -2,-0.5 -2,-0.0 -0.961 25.3-123.7-132.2 118.9 -6.7 -7.5 13.9 5 6 A P E -A 49 0A 79 0, 0.0 2,-0.4 0, 0.0 44,-0.3 -0.171 34.5-157.8 -50.6 145.0 -4.0 -9.3 12.0 6 7 A I - 0 0 10 42,-2.8 42,-0.4 7,-0.1 2,-0.3 -0.963 15.3-163.2-134.7 144.7 -5.2 -10.4 8.6 7 8 A T > - 0 0 57 -2,-0.4 3,-1.9 34,-0.0 7,-0.3 -0.803 42.1-108.7-112.2 165.2 -4.3 -12.9 6.0 8 9 A T T 3 S+ 0 0 20 -2,-0.3 7,-0.1 1,-0.3 3,-0.1 0.578 117.5 76.9 -66.2 -7.9 -5.3 -13.1 2.4 9 10 A S T 3 S+ 0 0 101 1,-0.2 2,-1.4 2,-0.1 -1,-0.3 0.687 78.8 73.1 -67.9 -23.0 -7.4 -16.0 3.8 10 11 A D S <> S- 0 0 58 -3,-1.9 4,-3.2 1,-0.2 5,-0.3 -0.626 73.2-178.6 -92.4 72.9 -9.7 -13.3 5.2 11 12 A V H > S+ 0 0 110 -2,-1.4 4,-2.3 1,-0.2 5,-0.2 0.842 72.8 43.7 -42.3 -57.5 -11.1 -12.6 1.7 12 13 A Q H > S+ 0 0 152 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 118.6 43.0 -61.5 -46.3 -13.5 -9.7 2.7 13 14 A H H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 113.3 51.1 -68.1 -40.7 -11.0 -7.9 5.0 14 15 A Y H X S+ 0 0 3 -4,-3.2 4,-2.9 -7,-0.3 -2,-0.2 0.911 110.7 48.1 -65.8 -40.9 -8.0 -8.3 2.7 15 16 A K H X S+ 0 0 143 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.869 110.6 53.2 -64.2 -39.6 -9.9 -6.9 -0.3 16 17 A F H X S+ 0 0 46 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.940 111.2 45.3 -57.1 -51.7 -11.1 -4.0 1.9 17 18 A X H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.946 115.0 49.0 -55.6 -50.2 -7.4 -3.3 2.9 18 19 A E H X S+ 0 0 36 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.869 111.3 47.0 -61.2 -45.8 -6.3 -3.6 -0.8 19 20 A E H X S+ 0 0 134 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.936 115.0 47.4 -60.1 -47.3 -9.1 -1.3 -2.2 20 21 A L H X S+ 0 0 9 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.899 110.7 52.3 -64.2 -43.0 -8.4 1.3 0.5 21 22 A L H X S+ 0 0 1 -4,-2.9 4,-1.7 2,-0.2 3,-0.3 0.921 110.0 47.1 -53.4 -49.7 -4.6 1.1 -0.1 22 23 A V H < S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.834 115.0 47.6 -69.7 -27.6 -4.9 1.7 -3.9 23 24 A E H < S+ 0 0 137 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.731 114.0 47.1 -83.9 -20.4 -7.2 4.6 -3.3 24 25 A S H < S+ 0 0 48 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.721 112.8 37.6 -92.7 -28.5 -5.1 6.2 -0.6 25 26 A F S < S- 0 0 49 -4,-1.7 5,-0.1 -5,-0.1 -1,-0.1 -0.888 84.3-103.5-128.6 151.2 -1.6 6.1 -2.2 26 27 A P > - 0 0 58 0, 0.0 3,-2.9 0, 0.0 4,-0.1 -0.522 41.9-110.0 -69.1 149.3 -0.1 6.6 -5.6 27 28 A P G > S+ 0 0 77 0, 0.0 3,-1.1 0, 0.0 -5,-0.0 0.764 118.8 60.6 -49.9 -31.5 0.9 3.2 -7.3 28 29 A E G 3 S+ 0 0 102 1,-0.2 110,-0.7 110,-0.1 111,-0.3 0.540 95.8 66.8 -74.0 -7.6 4.6 4.1 -6.9 29 30 A E G < S+ 0 0 64 -3,-2.9 2,-0.3 109,-0.1 -1,-0.2 0.232 100.9 39.2-105.2 14.3 4.1 4.3 -3.2 30 31 A Y S < S- 0 0 17 -3,-1.1 3,-0.1 -4,-0.1 108,-0.1 -0.981 90.6 -92.4-149.3 163.9 3.4 0.7 -2.3 31 32 A R - 0 0 19 -2,-0.3 5,-0.1 1,-0.2 108,-0.1 -0.235 59.4 -72.5 -72.3 164.3 4.7 -2.6 -3.5 32 33 A E >> - 0 0 92 106,-0.2 4,-2.1 1,-0.1 3,-0.6 -0.261 46.9-122.8 -50.6 139.5 3.2 -4.5 -6.4 33 34 A L H 3> S+ 0 0 36 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.928 110.7 55.4 -61.4 -47.0 -0.1 -6.1 -5.2 34 35 A E H 3> S+ 0 0 122 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.848 112.2 46.8 -51.1 -35.5 0.9 -9.7 -6.0 35 36 A H H <> S+ 0 0 86 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.826 106.3 56.0 -74.1 -39.8 4.0 -9.0 -3.7 36 37 A L H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.896 106.9 51.4 -61.0 -40.6 1.9 -7.4 -1.0 37 38 A R H X S+ 0 0 102 -4,-2.5 4,-1.9 2,-0.2 5,-0.3 0.941 110.4 49.3 -56.9 -47.3 -0.1 -10.6 -0.9 38 39 A E H X S+ 0 0 73 -4,-1.4 4,-2.5 -5,-0.2 5,-0.5 0.890 111.1 47.9 -61.4 -43.9 3.1 -12.6 -0.6 39 40 A Y H X S+ 0 0 61 -4,-2.8 4,-1.8 3,-0.2 7,-0.2 0.922 107.6 58.5 -62.8 -45.8 4.5 -10.5 2.3 40 41 A T H < S+ 0 0 12 -4,-2.4 8,-0.2 -5,-0.2 -2,-0.2 0.950 122.5 19.6 -50.6 -58.4 1.2 -10.7 4.1 41 42 A D H < S+ 0 0 74 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.746 130.6 44.3 -87.5 -24.6 1.1 -14.5 4.4 42 43 A R H < S+ 0 0 205 -4,-2.5 2,-0.7 -5,-0.3 -3,-0.2 0.891 96.8 72.1 -86.4 -40.2 4.7 -15.4 3.8 43 44 A I >< - 0 0 60 -4,-1.8 3,-1.6 -5,-0.5 -1,-0.1 -0.708 58.5-164.9 -98.7 111.8 6.7 -12.9 5.9 44 45 A G T 3 S+ 0 0 69 -2,-0.7 -1,-0.1 1,-0.3 -5,-0.0 0.764 88.9 46.5 -68.1 -34.7 6.5 -13.5 9.7 45 46 A N T 3 S+ 0 0 54 19,-0.1 20,-2.4 2,-0.0 2,-0.5 0.257 97.8 87.5 -90.7 11.1 7.8 -10.2 10.9 46 47 A F E < - B 0 64A 6 -3,-1.6 2,-0.5 -7,-0.2 18,-0.2 -0.940 63.6-165.8-106.1 131.9 5.5 -8.3 8.5 47 48 A H E - B 0 63A 47 16,-3.0 16,-2.2 -2,-0.5 2,-0.5 -0.956 13.0-167.3-129.7 120.0 2.0 -7.7 9.8 48 49 A N E - B 0 62A 4 -2,-0.5 -42,-2.8 -42,-0.4 2,-0.4 -0.908 20.7-177.3-102.3 122.4 -1.1 -6.6 7.9 49 50 A N E -AB 5 61A 0 12,-2.5 12,-2.5 -2,-0.5 2,-0.3 -0.972 23.9-144.5-130.7 138.9 -3.9 -5.4 10.1 50 51 A I E -AB 4 60A 0 -46,-2.2 -46,-2.5 -2,-0.4 2,-0.5 -0.710 22.9-136.9 -92.4 144.4 -7.5 -4.2 9.7 51 52 A I E -AB 3 59A 0 8,-3.0 7,-2.8 -2,-0.3 8,-1.3 -0.917 21.8-164.0-105.7 127.2 -8.6 -1.5 12.1 52 53 A F E -AB 2 57A 7 -50,-3.5 -50,-2.2 -2,-0.5 2,-0.6 -0.850 26.4-157.7-109.5 147.1 -12.1 -1.9 13.6 53 54 A D E > S- B 0 56A 29 3,-3.0 3,-1.6 -2,-0.4 2,-0.6 -0.907 87.7 -51.7-113.2 95.7 -14.4 0.5 15.4 54 55 A D T 3 S- 0 0 123 -2,-0.6 -52,-0.1 1,-0.3 -2,-0.0 -0.659 122.9 -23.8 65.3-113.3 -16.3 -2.3 17.1 55 56 A D T 3 S+ 0 0 136 -2,-0.6 -1,-0.3 -3,-0.1 -3,-0.0 0.204 117.4 105.9-107.5 12.3 -17.1 -4.6 14.2 56 57 A L E < -B 53 0A 80 -3,-1.6 -3,-3.0 2,-0.0 2,-0.5 -0.833 68.7-138.8 -91.1 115.7 -16.9 -1.7 11.7 57 58 A P E +B 52 0A 36 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.652 35.4 161.1 -72.7 123.6 -13.8 -1.9 9.5 58 59 A I E - 0 0 0 -7,-2.8 20,-3.0 -2,-0.5 2,-0.3 0.410 56.5 -18.0-122.3 -7.6 -12.6 1.7 9.3 59 60 A G E -BC 51 77A 0 -8,-1.3 -8,-3.0 18,-0.3 2,-0.3 -0.968 51.6-123.4-177.2-178.1 -8.9 1.3 8.3 60 61 A F E -BC 50 76A 0 16,-2.2 16,-2.0 -10,-0.3 2,-0.3 -0.963 13.3-169.8-145.7 160.0 -5.7 -0.8 7.9 61 62 A I E -BC 49 75A 0 -12,-2.5 -12,-2.5 -2,-0.3 2,-0.4 -0.962 5.4-161.1-151.2 140.3 -2.2 -0.5 9.1 62 63 A T E +BC 48 74A 2 12,-2.9 11,-1.7 -2,-0.3 12,-0.6 -0.952 19.5 166.7-121.6 141.6 0.8 -2.5 8.1 63 64 A Y E -BC 47 72A 17 -16,-2.2 -16,-3.0 -2,-0.4 2,-0.4 -0.992 28.9-127.5-151.2 159.5 3.9 -2.7 10.1 64 65 A W E -BC 46 71A 4 7,-2.8 7,-2.3 -2,-0.3 2,-0.6 -0.904 16.6-138.5-109.7 142.8 7.2 -4.6 10.6 65 66 A D E + C 0 70A 45 -20,-2.4 5,-0.2 -2,-0.4 -2,-0.0 -0.879 24.3 171.5 -97.9 115.7 8.4 -6.1 13.8 66 67 A F - 0 0 10 3,-2.6 2,-4.0 -2,-0.6 3,-0.2 -0.106 45.3-120.8-118.7 32.9 12.2 -5.4 14.2 67 68 A D S S+ 0 0 123 1,-0.3 3,-0.1 33,-0.0 -1,-0.0 -0.146 110.4 47.3 64.4 -54.0 12.6 -6.7 17.9 68 69 A E S S- 0 0 106 -2,-4.0 -1,-0.3 1,-0.2 2,-0.3 0.815 128.6 -6.8 -79.4 -32.8 13.9 -3.3 19.1 69 70 A F - 0 0 1 31,-0.2 -3,-2.6 -3,-0.2 2,-0.4 -0.930 65.5-111.8-155.8 167.5 11.2 -1.3 17.4 70 71 A Y E -Cd 65 102A 37 31,-3.1 33,-3.9 -2,-0.3 2,-0.5 -0.912 20.2-151.1-112.0 139.9 8.2 -1.3 15.0 71 72 A Y E -Cd 64 103A 2 -7,-2.3 -7,-2.8 -2,-0.4 2,-0.7 -0.954 9.4-145.4-113.3 120.3 8.1 0.3 11.5 72 73 A V E +Cd 63 104A 9 31,-3.4 33,-0.5 -2,-0.5 -9,-0.3 -0.764 20.2 177.0 -87.3 114.0 4.8 1.5 10.2 73 74 A E E + 0 0 18 -11,-1.7 2,-0.4 -2,-0.7 -1,-0.2 0.965 65.6 2.7 -84.3 -60.4 4.8 1.0 6.5 74 75 A H E +C 62 0A 20 -12,-0.6 -12,-2.9 30,-0.0 2,-0.3 -0.973 59.9 175.4-130.0 150.9 1.2 2.1 5.5 75 76 A F E +C 61 0A 36 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.953 13.1 152.9-150.6 122.3 -1.5 3.5 7.5 76 77 A A E -C 60 0A 10 -16,-2.0 -16,-2.2 -2,-0.3 2,-0.3 -0.988 24.4-153.8-153.6 143.1 -4.9 4.7 6.2 77 78 A T E -C 59 0A 44 -2,-0.3 -18,-0.3 -18,-0.2 -2,-0.0 -0.806 46.8 -80.5-107.6 160.3 -8.5 5.2 7.4 78 79 A N > - 0 0 48 -20,-3.0 3,-1.7 -2,-0.3 -1,-0.0 -0.404 33.9-140.8 -61.0 122.4 -11.6 5.2 5.1 79 80 A P G > S+ 0 0 78 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.709 98.8 68.4 -65.1 -19.8 -12.0 8.7 3.5 80 81 A A G 3 S+ 0 0 78 1,-0.3 -2,-0.1 2,-0.0 -3,-0.0 0.854 93.0 60.7 -61.3 -33.3 -15.8 8.5 4.0 81 82 A L G X S+ 0 0 43 -3,-1.7 3,-1.2 -23,-0.1 5,-0.4 0.169 83.0 153.3 -80.4 22.9 -15.1 8.8 7.7 82 83 A R T < + 0 0 190 -3,-1.3 -4,-0.0 1,-0.2 -2,-0.0 -0.105 63.4 5.9 -59.0 150.4 -13.4 12.2 7.2 83 84 A N T 3 S+ 0 0 170 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.744 96.4 118.5 48.5 28.4 -13.2 14.8 9.9 84 85 A G S < S- 0 0 48 -3,-1.2 -2,-0.1 0, 0.0 -1,-0.1 0.470 86.4-108.1-101.7 -4.5 -14.8 12.2 12.3 85 86 A G S > S+ 0 0 34 -4,-0.1 4,-2.4 3,-0.0 5,-0.2 0.405 83.3 122.2 96.9 0.8 -11.9 11.9 14.8 86 87 A Y H > + 0 0 51 -5,-0.4 4,-3.2 2,-0.2 5,-0.2 0.811 65.4 60.5 -69.3 -32.7 -10.7 8.5 13.7 87 88 A G H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 112.7 38.0 -56.0 -54.6 -7.1 9.6 13.0 88 89 A K H > S+ 0 0 119 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.939 116.8 50.5 -62.3 -52.2 -6.6 10.6 16.5 89 90 A R H X S+ 0 0 97 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.914 114.2 46.6 -53.8 -43.9 -8.6 7.7 18.0 90 91 A T H X S+ 0 0 0 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.891 112.3 47.6 -67.1 -42.1 -6.6 5.3 15.9 91 92 A L H X S+ 0 0 3 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.940 109.4 56.2 -65.3 -46.6 -3.1 6.7 16.7 92 93 A E H X S+ 0 0 114 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.904 113.0 38.6 -47.2 -53.7 -4.0 6.8 20.3 93 94 A H H X S+ 0 0 44 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.721 106.0 67.4 -75.9 -19.9 -4.8 3.0 20.4 94 95 A L H X S+ 0 0 5 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.910 99.2 51.7 -64.0 -43.1 -1.9 2.3 18.1 95 96 A C H < S+ 0 0 19 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.711 111.2 47.9 -63.2 -23.1 0.4 3.3 20.9 96 97 A E H < S+ 0 0 111 -4,-0.5 -2,-0.2 -5,-0.2 -1,-0.2 0.869 113.7 46.2 -77.4 -41.8 -1.4 1.0 23.3 97 98 A F H < S+ 0 0 79 -4,-2.4 2,-0.6 1,-0.2 -2,-0.2 0.865 117.9 42.7 -73.4 -37.7 -1.3 -1.9 20.8 98 99 A L < + 0 0 4 -4,-2.6 -1,-0.2 -5,-0.2 4,-0.1 -0.955 64.1 171.1-112.6 113.8 2.4 -1.4 19.9 99 100 A K + 0 0 161 -2,-0.6 -1,-0.1 -3,-0.1 3,-0.1 0.822 54.4 79.4-100.0 -33.8 4.5 -0.7 23.0 100 101 A R S S- 0 0 135 1,-0.1 -31,-0.2 53,-0.1 -30,-0.1 -0.262 107.4 -64.7 -62.0 161.7 8.1 -0.9 21.7 101 102 A P - 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