==== 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 04-JAN-08 3BV8 . COMPND 2 MOLECULE: TETRAHYDRODIPICOLINATE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR M.E.CUFF,E.DUGGAN,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR S . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 64.7 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 . 23 27.1 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 . 1 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 . 3 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 20.0 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+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 0 2 0 0 0 0 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 . 0 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A A 0 0 128 0, 0.0 82,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -93.7 32.5 40.9 13.7 2 5 A L - 0 0 39 80,-0.5 2,-0.1 79,-0.1 81,-0.0 -0.453 360.0-125.4 -68.5 142.7 36.2 41.0 14.5 3 6 A T > - 0 0 63 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.445 21.7-110.1 -81.4 162.6 38.5 41.7 11.5 4 7 A A H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 122.3 54.4 -57.2 -40.2 41.4 39.4 10.5 5 8 A E H > S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 108.3 47.3 -59.6 -43.8 43.7 42.2 11.6 6 9 A E H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 111.9 51.9 -65.7 -38.2 42.0 42.3 15.0 7 10 A I H X S+ 0 0 38 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.935 110.9 44.1 -65.8 -49.2 42.2 38.5 15.4 8 11 A I H X S+ 0 0 103 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.866 112.6 53.6 -69.3 -31.2 45.9 38.2 14.6 9 12 A Q H X S+ 0 0 106 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.945 110.2 48.0 -61.5 -45.6 46.7 41.2 16.8 10 13 A Y H X S+ 0 0 82 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.933 112.7 47.7 -56.9 -48.0 44.8 39.4 19.6 11 14 A I H X S+ 0 0 59 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.927 110.5 52.7 -62.7 -43.5 46.7 36.1 18.9 12 15 A S H < S+ 0 0 45 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.931 115.3 41.0 -55.5 -46.7 50.1 38.0 18.9 13 16 A D H >< S+ 0 0 81 -4,-2.5 3,-0.5 1,-0.2 4,-0.3 0.905 119.8 42.6 -68.1 -43.9 49.3 39.6 22.3 14 17 A A H >< S+ 0 0 30 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.803 98.1 71.3 -78.1 -31.5 47.8 36.4 23.9 15 18 A K T 3< S+ 0 0 149 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.708 84.3 70.0 -65.8 -20.4 50.3 33.8 22.7 16 19 A K T < S+ 0 0 146 -3,-0.5 -1,-0.3 -4,-0.5 2,-0.2 0.882 91.7 71.5 -57.3 -40.3 53.1 35.1 25.0 17 20 A F < - 0 0 115 -3,-1.3 34,-0.0 -4,-0.3 0, 0.0 -0.491 60.3-167.3 -86.1 145.8 51.2 33.8 28.0 18 21 A T - 0 0 40 -2,-0.2 34,-2.7 2,-0.0 2,-0.1 -0.652 12.6-170.9-131.8 75.7 50.8 30.1 28.9 19 22 A P E +A 51 0A 22 0, 0.0 55,-2.2 0, 0.0 2,-0.3 -0.434 10.3 177.3 -64.6 137.0 48.1 29.9 31.6 20 23 A I E -AB 50 73A 11 30,-3.0 30,-2.1 53,-0.3 2,-0.4 -0.882 23.9-135.0-132.6 171.1 47.9 26.4 33.2 21 24 A K E -AB 49 72A 53 51,-2.8 51,-2.4 -2,-0.3 2,-0.5 -0.996 19.2-167.0-133.4 126.2 45.8 24.9 36.0 22 25 A V E -AB 48 71A 0 26,-2.5 26,-2.8 -2,-0.4 2,-0.4 -0.965 9.3-156.6-122.7 127.0 47.4 22.6 38.6 23 26 A Y E -AB 47 70A 97 47,-2.7 47,-1.9 -2,-0.5 2,-0.4 -0.847 23.3-178.8 -97.4 133.4 45.6 20.4 41.1 24 27 A L E -AB 46 69A 2 22,-2.6 22,-2.4 -2,-0.4 2,-0.4 -0.995 22.4-167.1-138.2 136.8 47.6 19.5 44.2 25 28 A N E +AB 45 68A 63 43,-1.9 42,-3.1 -2,-0.4 43,-1.0 -0.951 50.9 68.9-108.1 145.6 47.3 17.5 47.3 26 29 A G E S- B 0 66A 11 18,-2.5 2,-0.5 -2,-0.4 40,-0.2 -0.999 84.7 -34.6 156.2-150.6 49.9 18.0 50.1 27 30 A N - 0 0 56 38,-2.5 17,-0.1 -2,-0.3 -2,-0.0 -0.932 38.7-176.5-110.1 129.6 51.1 20.3 52.7 28 31 A F > + 0 0 22 15,-0.5 3,-0.6 -2,-0.5 2,-0.2 0.152 40.7 121.1-115.0 17.4 51.0 24.0 51.9 29 32 A E T 3 S+ 0 0 127 1,-0.2 3,-0.1 36,-0.1 -2,-0.1 -0.544 74.2 20.4 -77.5 145.9 52.7 25.5 55.0 30 33 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.847 93.2 131.4 67.9 33.7 55.8 27.6 54.5 31 34 A I < - 0 0 24 -3,-0.6 2,-0.5 2,-0.0 -1,-0.2 -0.964 41.8-161.7-118.9 137.8 55.1 28.3 50.9 32 35 A T - 0 0 111 -2,-0.4 -3,-0.0 -3,-0.1 0, 0.0 -0.979 19.4-143.5-110.8 131.3 55.3 31.6 49.1 33 36 A Y - 0 0 67 -2,-0.5 6,-0.0 1,-0.1 -2,-0.0 -0.776 18.2-109.4 -96.7 140.0 53.5 31.7 45.7 34 37 A P > - 0 0 40 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.150 35.2-105.6 -55.3 156.9 54.6 33.6 42.6 35 38 A E T 3 S+ 0 0 189 1,-0.3 -2,-0.0 3,-0.0 19,-0.0 0.813 117.5 60.3 -57.7 -36.6 52.6 36.7 41.6 36 39 A S T 3 S+ 0 0 41 15,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.621 86.2 103.8 -67.9 -10.9 51.0 34.9 38.6 37 40 A F < - 0 0 21 -3,-1.8 2,-0.5 13,-0.1 13,-0.2 -0.562 47.2-174.2 -80.8 134.1 49.4 32.3 41.0 38 41 A K E -C 49 0A 137 11,-2.5 11,-2.6 -2,-0.3 2,-0.6 -0.981 20.4-157.7-121.3 113.0 45.8 32.4 41.9 39 42 A V E +C 48 0A 49 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.851 15.4 175.4-105.4 118.9 45.4 29.7 44.5 40 43 A F E +C 47 0A 105 7,-3.2 7,-2.2 -2,-0.6 2,-0.3 -0.723 33.5 55.7-110.6 163.8 42.0 28.1 45.3 41 44 A G E S-C 46 0A 64 5,-0.3 5,-0.2 -2,-0.3 2,-0.1 -0.762 73.1 -56.4 121.2-157.7 41.1 25.2 47.6 42 45 A S E > -C 45 0A 74 3,-2.5 3,-0.5 -2,-0.3 -2,-0.0 -0.376 63.6 -72.8-120.0-171.4 41.3 24.0 51.2 43 46 A E T 3 S+ 0 0 143 1,-0.2 -15,-0.5 -2,-0.1 3,-0.1 0.855 128.0 22.2 -58.6 -40.5 44.1 23.4 53.8 44 47 A Q T 3 S+ 0 0 90 1,-0.2 -18,-2.5 -17,-0.1 2,-0.3 0.326 122.1 50.3-112.0 4.5 45.5 20.2 52.2 45 48 A S E < -AC 25 42A 44 -3,-0.5 -3,-2.5 -20,-0.2 2,-0.3 -0.970 61.6-179.0-152.8 127.7 44.3 20.5 48.5 46 49 A K E -AC 24 41A 35 -22,-2.4 -22,-2.6 -2,-0.3 2,-0.4 -0.847 23.6-153.2-128.1 157.4 44.6 23.3 46.0 47 50 A V E -AC 23 40A 33 -7,-2.2 -7,-3.2 -2,-0.3 2,-0.5 -0.989 26.4-165.0-125.9 123.7 43.8 24.3 42.4 48 51 A I E -AC 22 39A 0 -26,-2.8 -26,-2.5 -2,-0.4 2,-0.5 -0.946 15.1-160.9-118.4 122.9 46.2 26.9 41.1 49 52 A F E +AC 21 38A 60 -11,-2.6 -11,-2.5 -2,-0.5 2,-0.3 -0.904 40.1 136.5 -94.9 127.8 45.8 29.0 38.0 50 53 A C E -A 20 0A 5 -30,-2.1 -30,-3.0 -2,-0.5 2,-0.4 -0.961 57.0 -80.7-162.0 171.6 49.2 30.3 37.0 51 54 A E E >> -A 19 0A 41 -2,-0.3 4,-2.0 -32,-0.2 3,-1.4 -0.734 34.9-131.9 -86.3 131.7 51.7 31.0 34.2 52 55 A A H 3> S+ 0 0 28 -34,-2.7 4,-2.0 -2,-0.4 -1,-0.1 0.846 106.2 60.3 -47.8 -41.3 53.7 27.9 33.1 53 56 A D H 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.2 -36,-0.0 0.800 111.1 40.1 -62.6 -30.5 57.0 29.9 33.3 54 57 A D H <> S+ 0 0 59 -3,-1.4 4,-1.4 2,-0.1 -1,-0.2 0.781 109.5 60.3 -84.4 -32.5 56.4 30.4 37.1 55 58 A W H X S+ 0 0 16 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.929 96.5 61.3 -60.6 -44.4 55.1 26.9 37.7 56 59 A K H X S+ 0 0 126 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.926 110.1 34.5 -57.1 -58.5 58.3 25.2 36.6 57 60 A P H > S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.835 115.7 59.4 -65.5 -29.0 60.8 26.6 39.1 58 61 A F H X S+ 0 0 11 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.930 107.2 45.4 -62.4 -46.4 58.1 26.6 41.8 59 62 A Y H X S+ 0 0 91 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.874 110.0 54.0 -64.5 -38.8 57.5 22.9 41.5 60 63 A E H < S+ 0 0 132 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.908 116.0 41.1 -62.5 -36.8 61.3 22.2 41.5 61 64 A A H < S+ 0 0 68 -4,-2.0 -2,-0.2 -5,-0.2 3,-0.2 0.934 132.2 18.3 -76.4 -46.9 61.5 24.2 44.8 62 65 A Y H >< S+ 0 0 62 -4,-2.8 3,-2.6 1,-0.1 4,-0.2 0.453 86.5 108.8-109.8 -3.4 58.4 23.0 46.7 63 66 A G G >< + 0 0 12 -4,-2.3 3,-1.7 1,-0.3 -1,-0.1 0.710 67.3 73.5 -54.2 -22.6 57.4 19.7 44.9 64 67 A S G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.605 93.8 52.3 -66.9 -15.4 58.5 17.6 47.9 65 68 A Q G < S+ 0 0 47 -3,-2.6 -38,-2.5 -39,-0.1 2,-0.4 0.402 94.0 88.3-102.3 8.5 55.5 18.7 49.9 66 69 A F E < -B 26 0A 16 -3,-1.7 -40,-0.3 -4,-0.2 3,-0.1 -0.852 48.7-178.5-105.5 139.6 53.0 17.7 47.2 67 70 A E E S+ 0 0 143 -42,-3.1 2,-0.3 -2,-0.4 -41,-0.2 0.674 70.1 21.8-107.7 -27.0 51.6 14.2 47.1 68 71 A D E -B 25 0A 96 -43,-1.0 -43,-1.9 2,-0.0 -1,-0.3 -0.988 67.0-176.7-141.9 146.2 49.4 14.1 44.0 69 72 A I E -B 24 0A 54 -2,-0.3 2,-0.4 -45,-0.2 -45,-0.2 -0.999 13.1-178.5-146.7 138.7 49.4 16.4 41.0 70 73 A E E -B 23 0A 130 -47,-1.9 -47,-2.7 -2,-0.3 2,-0.4 -0.995 12.8-164.3-133.1 136.2 47.4 17.0 37.8 71 74 A I E +B 22 0A 89 -2,-0.4 2,-0.4 -49,-0.2 -49,-0.2 -0.978 8.7 177.5-121.7 134.2 48.4 19.7 35.2 72 75 A E E -B 21 0A 83 -51,-2.4 -51,-2.8 -2,-0.4 2,-0.4 -0.986 30.9-122.3-128.8 143.8 46.2 21.0 32.5 73 76 A X E -B 20 0A 134 -2,-0.4 -53,-0.3 -53,-0.2 2,-0.1 -0.707 41.5-108.6 -79.4 136.4 46.9 23.8 29.9 74 77 A D > - 0 0 18 -55,-2.2 3,-2.0 -2,-0.4 4,-0.1 -0.396 18.5-127.6 -65.4 138.9 44.2 26.4 30.3 75 78 A R G > S+ 0 0 216 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.717 102.8 78.8 -60.6 -20.2 41.8 26.5 27.3 76 79 A R G > S+ 0 0 151 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.736 76.9 75.0 -63.0 -16.7 42.5 30.2 26.9 77 80 A N G < S+ 0 0 60 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.686 108.6 29.0 -63.5 -19.8 45.7 29.1 25.2 78 81 A S G < S+ 0 0 108 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.2 0.213 98.8 115.3-127.8 16.3 43.6 28.2 22.1 79 82 A A < - 0 0 44 -3,-0.8 -3,-0.0 -4,-0.3 0, 0.0 -0.634 38.6-173.0 -89.2 138.0 40.7 30.7 22.5 80 83 A I - 0 0 93 -2,-0.3 -73,-0.0 -69,-0.0 -3,-0.0 -0.999 32.0-113.9-121.5 136.3 39.8 33.5 20.2 81 84 A P - 0 0 35 0, 0.0 -79,-0.1 0, 0.0 3,-0.1 -0.337 9.3-144.9 -64.5 147.5 37.0 35.9 21.2 82 85 A L S S+ 0 0 159 1,-0.1 -80,-0.5 2,-0.1 2,-0.3 0.722 85.7 5.6 -82.7 -27.2 33.8 35.9 19.2 83 86 A K S S- 0 0 136 -82,-0.1 -1,-0.1 1,-0.0 2,-0.0 -0.910 90.1 -89.5-146.5 169.9 33.5 39.7 19.7 84 87 A D 0 0 103 -2,-0.3 -2,-0.1 -3,-0.1 -82,-0.0 -0.286 360.0 360.0 -80.5 171.9 35.6 42.5 21.2 85 88 A L 0 0 196 -2,-0.0 -2,-0.0 -4,-0.0 -1,-0.0 -0.838 360.0 360.0-156.3 360.0 35.4 43.6 24.9