==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-MAR-12 4E2A . COMPND 2 MOLECULE: PUTATIVE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR G.L.LI,J.K.NIE,L.F.LI,X.D.SU . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 25.8 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 . 4 1.2 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 . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 0 0 0 4 0 2 0 0 0 0 4 0 0 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 0 0 2 0 4 2 2 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 3 A Q 0 0 179 0, 0.0 65,-2.3 0, 0.0 66,-0.5 0.000 360.0 360.0 360.0 -0.2 44.6 24.8 20.3 2 4 A V E +A 65 0A 52 63,-0.2 2,-0.3 64,-0.1 63,-0.2 -0.768 360.0 177.3-105.3 134.4 45.1 22.4 17.4 3 5 A E E -A 64 0A 100 61,-2.2 61,-3.6 -2,-0.4 2,-0.4 -0.983 12.7-162.6-131.8 145.2 42.5 20.1 15.8 4 6 A I E +A 63 0A 35 -2,-0.3 2,-0.3 59,-0.2 59,-0.2 -0.995 30.8 138.3-126.3 125.6 42.6 17.8 12.8 5 7 A R E -A 62 0A 63 57,-1.9 57,-2.7 -2,-0.4 3,-0.1 -0.979 53.1 -75.4-158.5 165.4 39.3 16.6 11.3 6 8 A K E -A 61 0A 109 -2,-0.3 2,-0.3 55,-0.2 55,-0.3 -0.267 55.8 -98.1 -64.5 150.2 37.5 15.9 8.0 7 9 A V - 0 0 15 53,-2.2 53,-0.1 1,-0.1 -1,-0.1 -0.538 42.5-122.2 -66.5 130.9 36.3 18.9 5.9 8 10 A N > - 0 0 80 -2,-0.3 3,-2.0 1,-0.1 -1,-0.1 -0.432 15.8-117.2 -72.2 151.7 32.6 19.4 6.5 9 11 A Q G > S+ 0 0 103 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.885 118.2 53.5 -52.7 -40.0 30.1 19.3 3.7 10 12 A D G 3 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.318 96.7 68.2 -82.6 10.9 29.3 23.0 4.4 11 13 A E G <> + 0 0 28 -3,-2.0 4,-3.2 1,-0.1 -1,-0.2 0.194 60.7 113.6-111.3 14.3 33.0 24.0 4.2 12 14 A L H <> S+ 0 0 31 -3,-1.0 4,-2.2 1,-0.2 5,-0.1 0.896 80.3 46.1 -51.2 -45.2 33.4 23.4 0.5 13 15 A S H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 111.3 52.4 -68.5 -39.0 34.0 27.1 -0.2 14 16 A L H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.956 109.1 50.4 -58.6 -50.8 36.5 27.3 2.6 15 17 A L H X S+ 0 0 2 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.918 109.2 50.8 -52.0 -46.6 38.4 24.4 1.2 16 18 A Q H X S+ 0 0 55 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.944 110.4 51.7 -58.6 -43.9 38.5 26.0 -2.3 17 19 A K H X S+ 0 0 135 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.927 113.4 40.5 -60.4 -49.2 39.9 29.2 -0.7 18 20 A I H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.911 113.8 54.3 -71.8 -39.5 42.7 27.6 1.3 19 21 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 -5,-0.3 -2,-0.2 0.932 113.6 43.0 -57.1 -44.4 43.6 25.2 -1.6 20 22 A I H X S+ 0 0 33 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.950 113.8 50.2 -68.9 -44.5 43.9 28.3 -3.9 21 23 A Q H X S+ 0 0 73 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.904 111.5 47.2 -62.3 -41.8 45.8 30.4 -1.4 22 24 A T H X S+ 0 0 1 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.837 111.6 51.2 -67.4 -33.2 48.4 27.7 -0.6 23 25 A F H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 5,-0.3 0.937 111.6 47.7 -70.1 -42.9 48.9 27.0 -4.3 24 26 A R H X S+ 0 0 120 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.930 112.5 49.0 -59.3 -51.1 49.5 30.7 -5.0 25 27 A E H < S+ 0 0 41 -4,-2.7 4,-0.2 -5,-0.2 -1,-0.2 0.865 116.6 42.8 -56.5 -37.9 51.9 30.9 -2.0 26 28 A T H < S+ 0 0 54 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.853 130.8 19.1 -80.0 -34.2 53.8 27.9 -3.2 27 29 A F H >X S+ 0 0 6 -4,-2.5 3,-1.0 -5,-0.2 4,-0.6 0.573 95.0 89.9-117.4 -11.2 54.0 28.6 -6.9 28 30 A A T 3< S+ 0 0 35 -4,-2.7 3,-0.3 -5,-0.3 -3,-0.1 0.753 83.1 58.2 -69.6 -26.5 53.3 32.4 -7.6 29 31 A F T 34 S+ 0 0 191 -5,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.740 115.3 35.3 -75.7 -21.0 56.9 33.6 -7.4 30 32 A D T <4 S+ 0 0 108 -3,-1.0 2,-0.3 300,-0.2 -1,-0.2 0.349 118.8 48.1-114.5 3.2 58.1 31.3 -10.2 31 33 A N S < S- 0 0 15 -4,-0.6 2,-0.1 -3,-0.3 302,-0.1 -0.929 83.6-103.0-139.9 162.2 55.1 31.3 -12.4 32 34 A T > - 0 0 78 -2,-0.3 4,-1.9 300,-0.2 5,-0.2 -0.396 33.2-111.6 -83.9 165.4 52.7 33.9 -14.0 33 35 A A H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.868 118.2 54.1 -64.9 -36.1 49.2 34.6 -12.7 34 36 A E H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 105.7 52.0 -65.5 -43.2 47.7 33.1 -15.8 35 37 A Q H > S+ 0 0 14 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.897 112.5 45.7 -60.0 -43.2 49.6 29.8 -15.4 36 38 A L H >X S+ 0 0 5 -4,-1.9 4,-2.2 1,-0.2 3,-0.7 0.942 109.9 54.5 -65.2 -45.1 48.4 29.4 -11.8 37 39 A Q H 3X S+ 0 0 81 -4,-2.6 4,-3.2 1,-0.3 5,-0.2 0.869 100.3 60.6 -57.6 -40.0 44.8 30.3 -12.9 38 40 A N H 3X S+ 0 0 10 -4,-2.3 4,-0.6 1,-0.2 -1,-0.3 0.899 108.0 45.2 -50.4 -43.6 44.9 27.5 -15.5 39 41 A F H XX>S+ 0 0 18 -4,-1.1 4,-3.4 -3,-0.7 3,-1.0 0.942 113.2 48.4 -69.5 -47.0 45.5 25.1 -12.6 40 42 A F H 3X5S+ 0 0 6 -4,-2.2 4,-1.7 1,-0.3 -2,-0.2 0.921 107.8 56.2 -54.3 -46.2 42.8 26.6 -10.4 41 43 A D H 3<5S+ 0 0 92 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.715 119.8 31.4 -61.6 -21.2 40.3 26.5 -13.3 42 44 A E H <<5S+ 0 0 74 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.819 130.8 25.4-104.6 -44.1 40.9 22.8 -13.6 43 45 A A H <5S+ 0 0 14 -4,-3.4 -3,-0.2 1,-0.1 -2,-0.1 0.706 120.5 44.1 -98.2 -25.6 41.7 21.4 -10.2 44 46 A Y S < S- 0 0 42 -3,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.486 72.0-111.2 -75.2 158.5 36.5 24.5 -8.9 46 48 A L H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.824 116.3 54.9 -61.0 -32.5 33.7 23.9 -6.4 47 49 A S H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 109.4 44.1 -72.0 -40.5 32.4 21.0 -8.6 48 50 A V H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.927 115.8 47.8 -68.5 -45.2 35.7 19.1 -8.7 49 51 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.864 108.2 57.2 -62.1 -35.5 36.3 19.6 -5.0 50 52 A K H X S+ 0 0 71 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.940 105.9 48.4 -59.5 -48.2 32.7 18.5 -4.4 51 53 A L H X S+ 0 0 129 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.861 111.1 52.1 -58.4 -37.8 33.4 15.1 -6.1 52 54 A E H < S+ 0 0 33 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.903 108.9 49.3 -65.8 -40.3 36.5 14.8 -4.0 53 55 A L H < S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.809 115.2 44.5 -69.5 -28.3 34.6 15.4 -0.8 54 56 A D H < S+ 0 0 72 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.553 85.1 116.2 -92.0 -9.4 31.9 12.8 -1.8 55 57 A D >< - 0 0 54 -4,-0.9 3,-1.1 -3,-0.4 -3,-0.0 -0.429 55.3-153.9 -64.7 122.8 34.5 10.2 -3.0 56 58 A K T 3 S+ 0 0 186 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.694 91.3 52.8 -73.1 -18.9 34.2 7.1 -0.8 57 59 A E T 3 S+ 0 0 63 20,-0.0 20,-2.4 19,-0.0 2,-0.3 -0.028 107.1 56.7-108.3 28.1 37.9 6.1 -1.4 58 60 A S E < - B 0 76A 7 -3,-1.1 2,-0.4 18,-0.2 18,-0.2 -0.991 60.6-157.6-149.5 151.4 39.4 9.4 -0.4 59 61 A E E - B 0 75A 31 16,-2.4 16,-2.8 -2,-0.3 2,-0.4 -0.999 1.6-161.1-133.2 143.3 39.5 11.7 2.6 60 62 A T E - B 0 74A 10 -2,-0.4 -53,-2.2 14,-0.2 2,-0.3 -0.987 15.8-171.2-118.5 131.3 40.3 15.4 2.9 61 63 A Y E -AB 6 73A 5 12,-2.6 12,-2.1 -2,-0.4 2,-0.4 -0.877 14.9-147.6-119.5 148.6 41.2 16.9 6.3 62 64 A F E -AB 5 72A 0 -57,-2.7 -57,-1.9 -2,-0.3 2,-0.5 -0.849 9.4-148.6 -99.1 146.8 41.7 20.4 7.7 63 65 A I E -AB 4 71A 0 8,-1.9 7,-2.9 -2,-0.4 8,-1.1 -0.989 25.6-158.8-107.6 131.8 44.2 21.1 10.4 64 66 A L E -AB 3 69A 4 -61,-3.6 -61,-2.2 -2,-0.5 2,-0.5 -0.894 19.5-159.0-120.5 143.1 42.9 23.9 12.5 65 67 A M E > S-AB 2 68A 45 3,-2.0 3,-2.5 -2,-0.3 -63,-0.2 -0.991 88.1 -21.9-116.3 105.0 44.5 26.6 15.0 66 68 A S T 3 S- 0 0 77 -65,-2.3 -64,-0.1 -2,-0.5 -1,-0.1 0.785 129.1 -49.4 55.2 38.3 42.0 28.0 17.3 67 69 A G T 3 S+ 0 0 61 -66,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.375 114.0 115.3 85.6 -4.7 39.1 27.1 15.0 68 70 A K E < S-B 65 0A 139 -3,-2.5 -3,-2.0 1,-0.0 2,-0.3 -0.852 73.7-113.0 -99.6 130.4 40.7 28.6 11.9 69 71 A A E +B 64 0A 16 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.433 38.4 170.8 -60.7 121.0 41.8 26.4 8.9 70 72 A A E - 0 0 0 -7,-2.9 28,-2.7 1,-0.3 2,-0.3 0.554 60.3 -24.0-108.7 -15.2 45.6 26.5 8.7 71 73 A G E -BC 63 97A 0 -8,-1.1 -8,-1.9 26,-0.3 2,-0.3 -0.981 58.1-123.8-179.3 179.8 46.2 23.7 6.1 72 74 A F E -BC 62 96A 3 24,-2.1 24,-2.0 -2,-0.3 2,-0.4 -0.977 5.4-156.5-150.7 161.6 44.8 20.6 4.5 73 75 A L E -BC 61 95A 0 -12,-2.1 -12,-2.6 -2,-0.3 2,-0.5 -0.999 4.6-163.6-141.3 125.4 45.6 17.0 3.7 74 76 A K E -BC 60 94A 11 20,-2.5 19,-2.2 -2,-0.4 20,-1.6 -0.978 11.5-178.8-117.7 129.0 44.2 14.7 1.0 75 77 A V E -BC 59 92A 0 -16,-2.8 -16,-2.4 -2,-0.5 2,-0.3 -0.929 4.3-166.4-122.4 148.1 44.6 10.9 1.2 76 78 A N E +BC 58 91A 0 15,-2.5 15,-3.4 -2,-0.3 2,-0.3 -0.944 12.4 165.6-132.6 152.6 43.5 8.2 -1.3 77 79 A W E > + C 0 90A 64 -20,-2.4 3,-1.5 -2,-0.3 13,-0.2 -0.929 54.4 17.5-150.2 176.8 43.0 4.4 -1.5 78 80 A G G > S- 0 0 27 11,-0.6 3,-1.0 -2,-0.3 11,-0.1 -0.323 128.6 -18.6 59.7-138.8 41.3 1.9 -3.9 79 81 A S G 3 S+ 0 0 94 1,-0.2 -1,-0.2 5,-0.0 5,-0.0 0.619 128.6 74.9 -77.3 -11.5 40.5 3.3 -7.4 80 82 A S G < + 0 0 24 -3,-1.5 -1,-0.2 -23,-0.2 -2,-0.2 0.562 67.7 111.9 -80.2 -6.9 40.8 6.9 -6.1 81 83 A Q S < S- 0 0 15 -3,-1.0 3,-0.1 1,-0.1 -4,-0.1 -0.350 77.6-125.0 -61.9 149.1 44.6 6.7 -6.0 82 84 A T S S+ 0 0 75 1,-0.2 2,-0.3 -6,-0.0 -1,-0.1 0.785 93.9 16.6 -67.8 -25.8 46.2 8.9 -8.6 83 85 A E S S- 0 0 76 3,-0.0 2,-1.1 0, 0.0 3,-0.3 -0.995 72.3-129.2-146.4 141.7 48.1 5.9 -9.9 84 86 A Q + 0 0 126 -2,-0.3 3,-0.1 1,-0.2 -5,-0.0 -0.792 57.6 131.8 -91.5 94.9 47.8 2.1 -9.6 85 87 A V + 0 0 57 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.604 62.7 30.1-119.1 -21.7 51.3 1.2 -8.6 86 88 A L S S- 0 0 32 -3,-0.3 3,-0.4 39,-0.1 2,-0.3 -0.935 74.4-116.1-136.1 160.3 50.9 -1.1 -5.5 87 89 A E S S+ 0 0 169 -2,-0.3 37,-0.2 1,-0.2 38,-0.1 -0.728 96.1 8.9 -93.5 147.8 48.4 -3.5 -4.2 88 90 A D S S+ 0 0 105 -2,-0.3 36,-2.8 1,-0.2 37,-1.5 0.915 99.9 155.8 54.0 47.5 46.6 -2.9 -0.9 89 91 A A E - 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