==== 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 ACYLTRANSFERASE 06-MAY-98 3TDT . COMPND 2 MOLECULE: TETRAHYDRODIPICOLINATE N-SUCCINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM BOVIS; . AUTHOR T.W.BEAMAN,J.S.BLANCHARD,S.L.RODERICK . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0.7 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 0.4 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 . 31 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 15 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 . 2 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 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 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 0 118 0, 0.0 4,-3.4 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 100.0 -12.1 35.0 -7.7 2 2 A Q H 3> + 0 0 66 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.873 360.0 60.3 -55.7 -46.7 -15.7 36.1 -7.2 3 3 A Q H 3> S+ 0 0 179 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.820 117.7 33.3 -54.8 -29.4 -17.0 35.2 -10.7 4 4 A L H <> S+ 0 0 25 -3,-1.1 4,-2.3 2,-0.1 -2,-0.2 0.886 115.5 54.5 -93.1 -46.7 -16.0 31.6 -9.9 5 5 A Q H X S+ 0 0 61 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.877 105.4 55.6 -55.8 -39.1 -16.7 31.5 -6.2 6 6 A N H X S+ 0 0 102 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.910 108.6 44.4 -57.6 -52.9 -20.3 32.7 -6.7 7 7 A V H X S+ 0 0 30 -4,-0.6 4,-2.8 -5,-0.3 5,-0.2 0.912 113.5 53.4 -58.8 -45.9 -21.3 29.9 -9.2 8 8 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 109.8 46.2 -57.2 -48.5 -19.6 27.4 -7.0 9 9 A E H X S+ 0 0 77 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.814 112.7 49.9 -69.9 -22.2 -21.5 28.4 -3.8 10 10 A S H >X S+ 0 0 78 -4,-1.5 3,-1.0 -5,-0.2 4,-0.7 0.976 113.4 45.6 -78.8 -49.1 -24.8 28.5 -5.7 11 11 A A H >< S+ 0 0 1 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.889 102.4 64.2 -60.2 -43.4 -24.3 25.1 -7.1 12 12 A F H >< S+ 0 0 26 -4,-2.5 3,-1.3 1,-0.3 -1,-0.3 0.800 95.3 59.7 -52.1 -35.4 -23.2 23.4 -3.9 13 13 A E H << S+ 0 0 82 -3,-1.0 3,-0.3 -4,-0.7 -1,-0.3 0.869 110.1 42.4 -64.7 -31.7 -26.5 24.1 -2.3 14 14 A R T XX S+ 0 0 107 -3,-1.6 3,-2.0 -4,-0.7 4,-0.6 0.166 79.5 127.3 -97.0 14.4 -28.1 21.9 -5.1 15 15 A R G X4 + 0 0 130 -3,-1.3 3,-1.2 1,-0.3 -1,-0.2 0.828 66.9 53.5 -39.6 -51.2 -25.4 19.3 -4.9 16 16 A A G 34 S+ 0 0 76 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.705 111.0 45.8 -61.9 -24.5 -27.7 16.3 -4.5 17 17 A D G <4 S+ 0 0 118 -3,-2.0 2,-0.4 2,-0.0 -1,-0.2 0.371 90.4 99.0-101.7 2.8 -29.8 17.1 -7.6 18 18 A I << + 0 0 0 -3,-1.2 51,-0.0 -4,-0.6 -7,-0.0 -0.751 46.1 169.6 -94.0 137.3 -26.9 17.8 -9.9 19 19 A T > - 0 0 47 -2,-0.4 4,-1.7 50,-0.1 49,-0.1 -0.895 51.2 -99.1-137.7 166.8 -25.9 15.1 -12.2 20 20 A P T 4 S+ 0 0 38 0, 0.0 51,-0.1 0, 0.0 49,-0.1 0.746 122.1 46.7 -61.0 -20.3 -23.6 15.0 -15.2 21 21 A A T 4 S+ 0 0 96 1,-0.1 48,-0.1 49,-0.1 -3,-0.0 0.850 115.2 38.9 -90.6 -39.5 -26.6 15.2 -17.4 22 22 A N T 4 S+ 0 0 88 -5,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.601 85.2 114.2 -88.2 -12.7 -28.6 18.0 -15.9 23 23 A V < - 0 0 11 -4,-1.7 2,-0.1 45,-0.2 -5,-0.0 -0.414 66.1-126.3 -61.9 132.6 -25.7 20.3 -14.9 24 24 A D >> - 0 0 69 -2,-0.1 4,-2.1 1,-0.1 3,-0.8 -0.484 22.1-111.1 -77.7 149.8 -25.7 23.6 -16.9 25 25 A T H 3> S+ 0 0 97 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.736 112.9 61.0 -55.5 -26.7 -22.6 24.6 -18.8 26 26 A V H 3> S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 108.5 40.1 -67.2 -47.2 -21.9 27.5 -16.5 27 27 A T H <> S+ 0 0 10 -3,-0.8 4,-2.7 2,-0.2 5,-0.3 0.944 116.8 52.2 -67.4 -43.6 -21.5 25.4 -13.4 28 28 A R H X S+ 0 0 73 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.948 111.9 44.2 -54.9 -54.1 -19.6 22.8 -15.4 29 29 A E H X S+ 0 0 126 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.892 114.1 51.0 -61.4 -40.7 -17.1 25.3 -16.8 30 30 A A H X S+ 0 0 8 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.929 110.2 46.7 -63.2 -49.0 -16.6 27.0 -13.5 31 31 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.953 112.9 51.3 -61.4 -44.7 -15.9 23.9 -11.5 32 32 A N H X S+ 0 0 74 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.865 108.4 51.4 -57.9 -38.6 -13.5 22.7 -14.2 33 33 A Q H X S+ 0 0 120 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.911 108.9 50.8 -65.3 -44.7 -11.7 26.1 -14.1 34 34 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.908 107.2 53.2 -62.3 -41.3 -11.3 25.9 -10.4 35 35 A I H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.864 106.6 53.6 -61.9 -34.1 -9.8 22.3 -10.6 36 36 A G H X S+ 0 0 38 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.858 107.6 51.0 -68.8 -33.9 -7.2 23.5 -13.1 37 37 A L H X>S+ 0 0 41 -4,-1.5 6,-1.6 2,-0.2 5,-1.0 0.835 110.9 47.1 -71.7 -36.5 -6.1 26.3 -10.8 38 38 A L H ><5S+ 0 0 6 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.894 108.3 57.0 -69.1 -40.9 -5.7 23.8 -7.9 39 39 A D H 3<5S+ 0 0 22 -4,-2.3 78,-0.4 1,-0.2 -2,-0.2 0.864 111.2 42.7 -55.5 -38.4 -3.8 21.6 -10.2 40 40 A S H 3<5S- 0 0 69 -4,-1.4 -1,-0.2 76,-0.1 -2,-0.2 0.481 110.8-115.2 -90.9 -5.5 -1.3 24.4 -11.0 41 41 A G T <<5S+ 0 0 21 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.444 84.1 119.7 84.8 -0.1 -0.8 25.6 -7.5 42 42 A A S -A 52 0A 75 3,-3.6 3,-1.0 -2,-0.6 -2,-0.0 -0.998 68.3 -12.2-131.4 126.1 -2.2 33.6 7.1 50 50 A D T 3 S- 0 0 162 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.816 129.6 -50.5 53.8 39.6 -1.0 35.4 10.1 51 51 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.709 122.1 101.0 74.3 21.5 0.2 32.3 11.9 52 52 A Q E < S-A 49 0A 50 -3,-1.0 -3,-3.6 2,-0.0 2,-0.5 -1.000 70.3-130.0-138.4 138.6 -3.0 30.6 11.3 53 53 A W E -A 48 0A 58 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.3 -0.750 28.5-164.4 -83.7 129.2 -4.1 28.0 8.8 54 54 A V E -A 47 0A 51 -7,-3.4 -7,-2.1 -2,-0.5 2,-0.5 -0.926 9.7-141.1-117.3 142.7 -7.3 29.0 7.1 55 55 A T E -A 46 0A 32 -2,-0.4 2,-1.3 -9,-0.2 -9,-0.2 -0.900 5.4-145.5-103.4 128.9 -9.5 26.8 5.1 56 56 A H >> - 0 0 47 -11,-2.7 3,-1.9 -2,-0.5 4,-1.2 -0.749 16.5-169.1 -88.1 91.0 -11.3 28.0 1.9 57 57 A Q H 3> S+ 0 0 69 -2,-1.3 4,-2.2 1,-0.3 -1,-0.2 0.785 80.4 60.2 -53.6 -33.1 -14.5 26.1 2.3 58 58 A W H 3> S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.766 99.4 53.7 -74.1 -20.0 -15.5 26.9 -1.2 59 59 A L H <> S+ 0 0 0 -3,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.862 109.3 50.9 -75.9 -33.2 -12.5 25.3 -2.8 60 60 A K H X S+ 0 0 18 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.932 108.2 53.5 -65.0 -41.5 -13.5 22.2 -0.9 61 61 A K H X S+ 0 0 56 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.900 105.4 52.2 -58.8 -45.5 -17.0 22.6 -2.3 62 62 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.899 107.7 52.9 -59.8 -40.0 -15.6 22.7 -5.8 63 63 A V H >X S+ 0 0 0 -4,-1.8 3,-0.7 1,-0.2 4,-0.6 0.977 110.6 47.0 -60.8 -50.3 -13.7 19.5 -5.2 64 64 A L H >< S+ 0 0 42 -4,-2.6 3,-1.3 1,-0.2 4,-0.2 0.890 109.8 53.3 -54.8 -46.3 -16.9 17.8 -4.0 65 65 A L H >X S+ 0 0 1 -4,-2.5 3,-1.9 1,-0.3 4,-1.6 0.754 91.7 72.5 -64.8 -26.7 -18.9 19.1 -7.0 66 66 A S H -C 112 0C 68 24,-0.2 3,-1.4 1,-0.1 4,-0.3 -0.696 25.5-137.2 -82.9 127.2 -4.7 11.3 -14.3 89 89 A K T 3 S+ 0 0 13 22,-2.1 3,-0.5 -2,-0.5 -1,-0.1 0.848 98.1 40.1 -52.8 -44.5 -2.5 14.3 -13.7 90 90 A F T > S+ 0 0 32 21,-0.4 3,-1.2 1,-0.2 -1,-0.3 0.380 78.7 107.6 -92.4 5.4 0.5 13.1 -15.8 91 91 A A T < S+ 0 0 87 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.809 89.9 35.1 -54.8 -31.5 -1.3 11.5 -18.6 92 92 A D T 3 S+ 0 0 89 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.478 88.6 120.5-102.9 -0.3 -0.3 14.3 -21.0 93 93 A Y < - 0 0 24 -3,-1.2 2,-0.2 -4,-0.1 -3,-0.0 -0.327 40.8-164.9 -67.1 144.0 3.2 15.2 -19.7 94 94 A D > - 0 0 95 -2,-0.0 4,-2.5 1,-0.0 5,-0.3 -0.595 40.6 -92.9-114.2 179.7 6.2 15.0 -22.0 95 95 A E H > S+ 0 0 146 1,-0.2 4,-3.5 -2,-0.2 5,-0.2 0.898 124.7 55.8 -62.5 -37.5 9.9 15.0 -21.1 96 96 A A H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 110.3 45.2 -60.5 -44.3 10.1 18.7 -21.5 97 97 A R H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.945 114.4 46.1 -65.4 -47.8 7.3 19.3 -19.1 98 98 A F H X S+ 0 0 67 -4,-2.5 4,-2.0 1,-0.2 5,-0.4 0.951 112.3 54.2 -59.5 -45.4 8.6 16.9 -16.5 99 99 A Q H < S+ 0 0 140 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.905 112.2 42.9 -56.8 -39.5 12.0 18.4 -17.0 100 100 A K H < S+ 0 0 156 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.824 111.8 51.9 -74.2 -37.9 10.6 21.9 -16.3 101 101 A E H < S- 0 0 50 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.776 96.5-148.7 -75.5 -19.8 8.4 21.0 -13.3 102 102 A G < + 0 0 12 -4,-2.0 18,-2.9 -5,-0.3 2,-0.2 0.739 46.7 116.5 64.5 34.4 11.3 19.3 -11.7 103 103 A F - 0 0 16 -5,-0.4 2,-0.4 16,-0.2 19,-0.2 -0.765 58.0-119.3-123.6 169.0 10.1 16.4 -9.6 104 104 A R E -d 122 0D 110 17,-2.5 19,-3.0 -2,-0.2 2,-0.5 -0.939 18.8-164.8-113.8 134.4 10.7 12.6 -9.8 105 105 A V E -d 123 0D 41 -2,-0.4 19,-0.1 17,-0.2 17,-0.0 -0.893 7.8-158.5-122.4 101.4 7.8 10.2 -10.3 106 106 A V > - 0 0 32 17,-2.4 3,-3.4 -2,-0.5 20,-0.2 -0.638 37.3 -78.2 -83.6 124.0 8.6 6.5 -9.6 107 107 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.409 115.0 20.1 -65.7 137.2 6.3 3.9 -11.2 108 108 A P T 3 S+ 0 0 86 0, 0.0 16,-0.1 0, 0.0 -2,-0.1 -0.817 87.0 128.2-102.5 40.6 3.8 3.2 -10.3 109 109 A A < - 0 0 14 -3,-3.4 2,-0.4 14,-0.2 18,-0.2 -0.150 41.5-160.9 -46.0 142.8 3.2 6.4 -8.3 110 110 A T E -m 127 0E 51 16,-2.4 18,-1.8 -3,-0.1 2,-0.4 -0.993 13.7-173.9-136.4 138.2 -0.2 8.0 -9.3 111 111 A V E -m 128 0E 3 -2,-0.4 -22,-2.1 16,-0.2 -21,-0.4 -0.988 20.2-131.3-132.7 136.1 -1.5 11.5 -8.9 112 112 A R B > -C 88 0C 28 16,-2.3 3,-1.0 -2,-0.4 -24,-0.2 -0.548 33.4-100.3 -81.8 150.7 -5.0 12.8 -9.7 113 113 A Q T 3 S+ 0 0 75 -26,-2.7 3,-0.1 1,-0.2 -1,-0.1 -0.427 109.0 49.3 -66.1 140.7 -5.5 15.9 -11.7 114 114 A G T 3 S+ 0 0 0 1,-0.4 17,-1.8 16,-0.2 2,-0.4 0.464 86.6 106.2 105.6 3.5 -6.3 18.8 -9.2 115 115 A A < - 0 0 0 -3,-1.0 2,-0.5 15,-0.2 -1,-0.4 -0.951 65.3-134.8-114.1 140.7 -3.4 18.1 -6.9 116 116 A F E -r 133 0F 39 16,-3.1 18,-2.9 -2,-0.4 2,-0.5 -0.802 17.7-171.9 -98.3 127.1 -0.3 20.3 -6.9 117 117 A I E -r 134 0F 3 -2,-0.5 18,-0.2 -78,-0.4 2,-0.1 -0.957 16.9-144.9-115.7 122.4 3.1 18.7 -6.9 118 118 A A > - 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