==== 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 30-AUG-06 2I79 . COMPND 2 MOLECULE: ACETYLTRANSFERASE, GNAT FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR R.G.ZHANG,M.ZHOU,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR . 1016 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 249 24.5 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 36 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 263 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 6 0 1 5 6 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 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 . 3 0 0 0 6 6 15 3 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 3 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 0 231 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.3 57.0 42.3 -4.3 2 2 A E + 0 0 188 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.992 360.0 135.7-143.0 127.9 60.6 43.3 -5.3 3 3 A Y - 0 0 142 -2,-0.3 2,-0.4 2,-0.0 63,-0.0 -0.991 38.1-130.7-163.3 165.0 64.0 41.5 -5.7 4 4 A E - 0 0 133 -2,-0.3 63,-3.0 2,-0.0 2,-0.4 -0.978 26.2-168.1-121.1 129.7 67.1 41.0 -7.7 5 5 A L E +A 66 0A 66 -2,-0.4 2,-0.4 61,-0.2 61,-0.2 -0.971 11.3 175.7-121.4 131.1 68.3 37.4 -8.4 6 6 A L E -A 65 0A 85 59,-2.4 59,-3.1 -2,-0.4 2,-0.5 -0.995 4.0-175.7-127.5 129.7 71.6 36.1 -9.9 7 7 A I E +A 64 0A 46 -2,-0.4 2,-0.3 57,-0.2 57,-0.2 -0.995 27.9 131.5-117.1 126.1 72.5 32.4 -10.2 8 8 A R E -A 63 0A 52 55,-2.1 55,-2.9 -2,-0.5 -2,-0.1 -0.982 58.5 -72.1-161.7 164.9 76.0 31.6 -11.5 9 9 A E E -A 62 0A 75 -2,-0.3 53,-0.3 53,-0.2 2,-0.1 -0.304 57.0-106.4 -59.3 138.2 79.1 29.5 -10.9 10 10 A A - 0 0 5 51,-2.8 51,-0.2 2,-0.0 -1,-0.1 -0.392 34.8-158.4 -63.9 143.3 81.2 30.5 -7.9 11 11 A E > - 0 0 88 -2,-0.1 3,-2.9 1,-0.1 4,-0.3 -0.896 33.8-105.3-119.8 155.6 84.5 32.4 -8.6 12 12 A P G > S+ 0 0 38 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.833 118.9 66.9 -47.4 -33.5 87.6 32.7 -6.4 13 13 A K G 3 S+ 0 0 142 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.712 93.2 59.9 -59.1 -23.7 86.5 36.4 -5.8 14 14 A D G <> S+ 0 0 2 -3,-2.9 4,-2.8 1,-0.2 5,-0.3 0.481 74.1 105.8 -79.2 -6.2 83.4 35.1 -3.9 15 15 A A H <> S+ 0 0 3 -3,-1.8 4,-2.3 -4,-0.3 -1,-0.2 0.828 79.0 44.0 -47.4 -47.8 85.6 33.2 -1.3 16 16 A A H > S+ 0 0 47 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.908 116.7 45.3 -69.0 -45.1 85.0 35.7 1.6 17 17 A E H > S+ 0 0 71 -4,-0.3 4,-2.7 -3,-0.2 -1,-0.2 0.868 113.1 51.5 -66.5 -37.8 81.2 36.1 1.1 18 18 A L H X S+ 0 0 3 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.888 109.7 48.8 -68.4 -39.4 80.9 32.3 0.6 19 19 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 20,-0.3 0.934 112.6 50.0 -60.8 -44.3 82.7 31.6 3.9 20 20 A A H X S+ 0 0 26 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.927 111.7 47.0 -60.3 -47.2 80.5 34.2 5.6 21 21 A F H X S+ 0 0 9 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.894 111.2 50.6 -62.3 -41.4 77.3 32.6 4.2 22 22 A L H X S+ 0 0 13 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.898 109.9 50.5 -71.3 -34.2 78.3 29.1 5.2 23 23 A N H X S+ 0 0 4 -4,-2.3 4,-0.5 185,-0.2 -1,-0.2 0.897 110.4 51.9 -65.1 -38.1 79.1 30.3 8.7 24 24 A R H >< S+ 0 0 55 -4,-2.2 3,-1.4 -5,-0.2 4,-0.4 0.974 112.8 41.7 -61.6 -54.5 75.6 31.9 8.8 25 25 A V H >X S+ 0 0 4 -4,-2.6 3,-1.2 1,-0.3 4,-1.1 0.797 102.0 68.8 -69.6 -25.6 73.7 28.8 7.7 26 26 A S H 3< S+ 0 0 4 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.746 104.7 45.6 -63.0 -18.0 75.8 26.4 9.9 27 27 A L T << S+ 0 0 59 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.497 101.3 67.5 -99.1 -12.1 74.0 28.2 12.9 28 28 A E T <4 S+ 0 0 38 -3,-1.2 2,-0.3 -4,-0.4 -2,-0.2 0.821 111.1 2.2 -84.8 -34.8 70.5 28.1 11.5 29 29 A T < - 0 0 31 -4,-1.1 3,-0.2 5,-0.0 -1,-0.2 -0.936 48.7-138.6-142.3 168.0 69.8 24.4 11.6 30 30 A D S S+ 0 0 49 -2,-0.3 -4,-0.1 1,-0.1 -3,-0.0 -0.054 73.7 110.1-112.9 32.8 71.4 21.1 12.6 31 31 A F S S+ 0 0 60 100,-0.0 98,-0.5 125,-0.0 2,-0.2 0.608 77.8 38.4 -81.4 -14.6 70.1 19.4 9.4 32 32 A T S S- 0 0 36 2,-0.4 96,-0.0 -3,-0.2 733,-0.0 -0.699 100.0 -91.7-127.8-179.3 73.6 19.0 7.9 33 33 A S S S+ 0 0 47 -2,-0.2 732,-0.5 732,-0.1 733,-0.1 0.709 96.0 103.5 -73.0 -17.4 77.1 18.2 9.1 34 34 A L + 0 0 7 730,-0.1 -2,-0.4 729,-0.1 2,-0.2 -0.415 51.1 166.5 -55.1 133.8 77.6 22.0 9.5 35 35 A D > - 0 0 19 3,-0.3 3,-2.6 -2,-0.1 -7,-0.1 -0.736 53.0 -65.7-139.4-171.2 77.4 23.0 13.2 36 36 A G T 3 S+ 0 0 18 1,-0.3 159,-0.2 -2,-0.2 3,-0.1 0.728 122.2 68.6 -56.8 -27.9 78.2 25.9 15.5 37 37 A D T 3 S- 0 0 13 1,-0.2 3,-0.4 -11,-0.1 -1,-0.3 0.687 100.0-149.2 -61.7 -19.7 81.9 25.6 14.9 38 38 A G < - 0 0 0 -3,-2.6 -3,-0.3 1,-0.2 -1,-0.2 -0.262 39.4 -36.8 81.7-167.3 81.1 26.8 11.3 39 39 A I - 0 0 22 -20,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.702 64.8-144.5 -73.7 -21.6 82.8 26.0 8.0 40 40 A L + 0 0 78 -3,-0.4 2,-0.4 1,-0.2 -2,-0.1 0.746 60.4 112.9 67.7 25.8 86.3 26.0 9.5 41 41 A L - 0 0 52 168,-0.1 -1,-0.2 -22,-0.1 -2,-0.1 -0.995 60.8-135.1-131.7 132.5 87.9 27.5 6.4 42 42 A T > - 0 0 35 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.402 34.8-104.0 -75.1 164.5 89.5 30.9 6.0 43 43 A S H > S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.870 124.5 54.1 -55.9 -35.9 88.7 33.1 3.0 44 44 A E H > S+ 0 0 90 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.936 108.0 47.3 -68.0 -46.0 92.1 32.1 1.6 45 45 A E H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.814 109.2 54.5 -62.2 -34.2 91.4 28.4 2.0 46 46 A M H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.881 99.5 61.7 -67.3 -36.6 88.0 28.8 0.3 47 47 A E H X S+ 0 0 89 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.886 104.7 48.8 -57.7 -40.0 89.7 30.5 -2.7 48 48 A I H X S+ 0 0 96 -4,-1.2 4,-2.3 2,-0.2 3,-0.4 0.985 110.5 49.1 -59.7 -60.1 91.7 27.2 -3.3 49 49 A F H X S+ 0 0 62 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.905 111.5 51.1 -44.5 -46.0 88.5 25.1 -3.0 50 50 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.861 106.6 52.2 -69.0 -36.8 86.8 27.5 -5.5 51 51 A N H X S+ 0 0 79 -4,-2.0 4,-2.3 -3,-0.4 -1,-0.2 0.942 110.3 50.1 -59.2 -49.5 89.6 27.3 -8.1 52 52 A K H X S+ 0 0 126 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.916 108.8 50.8 -53.8 -51.6 89.4 23.5 -8.0 53 53 A Q H >< S+ 0 0 5 -4,-2.3 3,-0.7 -5,-0.2 6,-0.3 0.922 114.6 43.6 -54.5 -47.9 85.6 23.4 -8.5 54 54 A A H 3< S+ 0 0 54 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 117.1 47.1 -65.2 -34.8 85.9 25.7 -11.5 55 55 A S H 3< S+ 0 0 101 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.2 0.415 97.6 84.3 -89.2 -2.4 88.9 23.8 -12.9 56 56 A S << - 0 0 23 -4,-0.8 3,-0.4 -3,-0.7 0, 0.0 -0.839 65.7-150.8-104.5 139.9 87.3 20.3 -12.4 57 57 A D S S+ 0 0 100 -2,-0.4 63,-0.2 1,-0.2 -1,-0.1 0.572 94.2 41.8 -90.4 -8.2 85.0 18.9 -15.1 58 58 A N S S+ 0 0 0 62,-0.1 2,-0.3 20,-0.1 -1,-0.2 0.216 108.4 65.9-121.0 13.1 82.9 16.7 -12.8 59 59 A Q + 0 0 28 -3,-0.4 2,-0.3 -6,-0.3 18,-0.2 -0.922 55.5 170.7-130.5 158.3 82.5 19.1 -9.9 60 60 A I E - B 0 76A 3 16,-2.0 16,-3.4 -2,-0.3 2,-0.4 -0.954 23.3-154.8-163.6 148.2 80.8 22.5 -9.5 61 61 A T E - B 0 75A 1 -2,-0.3 -51,-2.8 14,-0.2 2,-0.4 -0.991 19.4-170.0-124.4 120.0 79.7 25.1 -7.0 62 62 A L E -AB 9 74A 16 12,-2.6 12,-2.2 -2,-0.4 2,-0.3 -0.916 4.9-157.5-110.1 137.6 76.7 27.4 -7.9 63 63 A L E -AB 8 73A 0 -55,-2.9 -55,-2.1 -2,-0.4 2,-0.5 -0.873 8.2-152.2-115.2 144.4 75.7 30.4 -6.0 64 64 A A E -AB 7 72A 0 8,-2.3 7,-3.5 -2,-0.3 8,-1.2 -0.983 11.6-162.5-111.9 121.6 72.4 32.3 -5.8 65 65 A F E -AB 6 70A 15 -59,-3.1 -59,-2.4 -2,-0.5 2,-0.5 -0.925 2.5-168.0-100.1 125.3 72.6 36.1 -5.0 66 66 A L E > S-AB 5 69A 24 3,-3.1 3,-1.8 -2,-0.5 -61,-0.2 -0.980 79.6 -13.9-110.8 122.5 69.4 37.7 -3.7 67 67 A N T 3 S- 0 0 91 -63,-3.0 -1,-0.2 -2,-0.5 -62,-0.1 0.871 132.5 -51.2 50.2 43.9 69.7 41.5 -3.7 68 68 A G T 3 S+ 0 0 47 -64,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.454 120.5 99.8 78.0 0.8 73.5 41.3 -4.2 69 69 A K E < S-B 66 0A 127 -3,-1.8 -3,-3.1 -48,-0.0 -1,-0.2 -0.967 83.2-101.3-120.7 140.0 74.1 38.8 -1.3 70 70 A I E +B 65 0A 8 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.370 42.3 168.8 -55.3 121.9 74.6 35.0 -1.4 71 71 A A E + 0 0 0 -7,-3.5 24,-2.7 1,-0.3 2,-0.3 0.549 60.8 2.6-110.5 -18.9 71.3 33.4 -0.4 72 72 A G E -BC 64 94A 0 -8,-1.2 -8,-2.3 22,-0.2 2,-0.3 -0.988 54.8-154.9-164.7 157.5 72.0 29.8 -1.4 73 73 A I E -BC 63 93A 4 20,-2.2 20,-1.9 -2,-0.3 2,-0.4 -0.996 2.9-163.0-139.5 145.6 74.6 27.3 -2.7 74 74 A V E -BC 62 92A 1 -12,-2.2 -12,-2.6 -2,-0.3 2,-0.4 -0.999 16.7-167.3-123.5 134.0 74.5 24.0 -4.5 75 75 A N E -BC 61 91A 22 16,-3.3 16,-2.0 -2,-0.4 2,-0.5 -0.975 12.0-166.6-123.8 126.5 77.7 21.9 -4.5 76 76 A I E -BC 60 90A 0 -16,-3.4 -16,-2.0 -2,-0.4 2,-0.3 -0.988 15.6-178.6-110.3 125.7 78.6 18.9 -6.5 77 77 A T E + C 0 89A 47 12,-2.3 12,-3.2 -2,-0.5 2,-0.3 -0.829 4.0 172.4-117.2 154.3 81.6 17.0 -5.3 78 78 A A - 0 0 6 -2,-0.3 10,-0.1 10,-0.2 2,-0.1 -0.964 30.4-117.3-165.5 143.5 83.3 14.0 -6.8 79 79 A D - 0 0 104 8,-0.4 8,-0.2 5,-0.3 0, 0.0 -0.404 22.1-137.7 -76.6 162.2 86.2 11.6 -6.7 80 80 A Q + 0 0 90 -2,-0.1 5,-0.1 6,-0.1 2,-0.1 0.604 66.1 106.3-105.6 -15.2 88.5 11.3 -9.7 81 81 A R S >> S- 0 0 80 1,-0.1 3,-1.6 3,-0.1 4,-1.4 -0.418 76.3-123.0 -63.9 140.1 89.2 7.5 -10.0 82 82 A K T 34 S+ 0 0 52 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.742 106.1 69.8 -64.0 -23.3 87.3 6.0 -12.9 83 83 A R T 34 S+ 0 0 8 632,-0.4 754,-1.3 1,-0.2 -1,-0.3 0.873 124.2 9.7 -53.2 -38.8 85.5 3.5 -10.7 84 84 A V T X4 S+ 0 0 21 -3,-1.6 3,-2.0 752,-0.2 -5,-0.3 0.275 91.2 112.5-131.6 7.8 83.5 6.4 -9.2 85 85 A R T 3< S+ 0 0 107 -4,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.692 76.2 60.9 -62.2 -21.0 84.2 9.5 -11.3 86 86 A H T 3 S+ 0 0 10 -4,-0.3 36,-3.0 35,-0.1 37,-1.6 0.381 86.7 91.3 -88.2 0.2 80.6 9.5 -12.7 87 87 A I E < - d 0 123A 12 -3,-2.0 2,-0.5 34,-0.2 -8,-0.4 -0.897 57.2-165.6-106.7 118.2 79.1 10.0 -9.2 88 88 A G E - d 0 124A 0 35,-2.9 37,-2.1 -2,-0.5 2,-0.6 -0.894 13.2-144.0-103.1 126.3 78.4 13.6 -7.9 89 89 A D E -Cd 77 125A 60 -12,-3.2 -12,-2.3 -2,-0.5 2,-0.3 -0.838 24.0-144.5 -88.6 122.2 77.7 14.1 -4.2 90 90 A L E +C 76 0A 12 35,-3.0 2,-0.3 -2,-0.6 37,-0.2 -0.675 22.6 176.3 -96.9 141.2 75.2 16.8 -3.8 91 91 A F E +C 75 0A 59 -16,-2.0 -16,-3.3 -2,-0.3 2,-0.4 -0.969 4.5 174.4-139.3 127.6 75.0 19.5 -1.1 92 92 A I E +C 74 0A 24 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.998 2.5 171.9-131.3 137.6 72.4 22.4 -1.0 93 93 A V E -C 73 0A 20 -20,-1.9 -20,-2.2 -2,-0.4 2,-0.3 -0.987 8.5-169.0-145.1 138.5 71.7 25.0 1.7 94 94 A I E -C 72 0A 15 -2,-0.3 -22,-0.2 -22,-0.2 2,-0.1 -0.925 37.7 -98.5-119.9 141.3 69.5 28.1 1.6 95 95 A G > - 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