==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ACYLTRANSFERASE 05-MAY-98 2TDT . COMPND 2 MOLECULE: TETRAHYDRODIPICOLINATE N-SUCCINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM BOVIS; . AUTHOR T.W.BEAMAN,J.S.BLANCHARD,S.L.RODERICK . 275 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 74.9 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 . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 16.0 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+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 1 0 0 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 0 126 0, 0.0 4,-3.0 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 111.8 -12.1 34.9 -7.5 2 2 A Q H 3> + 0 0 67 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.916 360.0 62.0 -69.5 -40.0 -15.7 36.0 -7.2 3 3 A Q H 34 S+ 0 0 177 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.695 118.2 30.9 -58.5 -19.5 -16.8 35.0 -10.8 4 4 A L H <> S+ 0 0 29 -3,-0.6 4,-2.2 2,-0.1 5,-0.2 0.782 115.4 57.3-103.5 -50.9 -16.0 31.5 -9.8 5 5 A Q H X S+ 0 0 57 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.901 105.1 53.0 -47.6 -49.9 -16.8 31.5 -6.2 6 6 A N H X S+ 0 0 105 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.894 109.7 43.9 -50.8 -56.4 -20.3 32.6 -6.8 7 7 A V H > S+ 0 0 32 -4,-0.3 4,-2.4 -5,-0.3 3,-0.4 0.895 113.7 53.7 -55.6 -48.7 -21.3 29.9 -9.3 8 8 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.3 -2,-0.2 0.952 110.3 44.5 -54.6 -58.4 -19.7 27.2 -7.2 9 9 A E H < S+ 0 0 85 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.3 0.656 110.4 56.9 -63.8 -18.5 -21.5 28.1 -4.0 10 10 A S H >X S+ 0 0 76 -4,-1.0 3,-1.6 -3,-0.4 4,-0.6 0.978 110.9 41.9 -72.2 -60.6 -24.7 28.4 -5.9 11 11 A A H >< S+ 0 0 1 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.836 101.4 68.6 -51.7 -44.3 -24.5 24.8 -7.2 12 12 A F G >< S+ 0 0 36 -4,-2.4 3,-1.3 1,-0.3 -1,-0.3 0.777 92.8 60.7 -48.4 -34.2 -23.3 23.2 -4.0 13 13 A E G <4 S+ 0 0 79 -3,-1.6 -1,-0.3 -4,-0.5 3,-0.3 0.880 109.6 41.2 -66.5 -32.5 -26.7 23.9 -2.5 14 14 A R G XX S+ 0 0 100 -3,-1.9 3,-2.1 -4,-0.6 4,-0.6 0.121 80.0 130.4 -98.5 20.1 -28.3 21.7 -5.2 15 15 A R G X4 + 0 0 132 -3,-1.3 3,-1.7 1,-0.3 -1,-0.2 0.859 67.6 51.0 -38.7 -58.0 -25.5 19.1 -5.0 16 16 A A G 34 S+ 0 0 75 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.667 112.1 48.4 -60.0 -18.2 -27.8 16.1 -4.7 17 17 A D G <4 S+ 0 0 112 -3,-2.1 2,-0.4 2,-0.0 -1,-0.3 0.396 89.8 94.5-104.6 0.8 -29.8 17.1 -7.7 18 18 A I << + 0 0 1 -3,-1.7 5,-0.0 -4,-0.6 51,-0.0 -0.776 49.4 170.8 -95.9 138.5 -27.0 17.8 -10.1 19 19 A T > - 0 0 51 -2,-0.4 4,-1.0 50,-0.1 49,-0.1 -0.911 52.5 -91.8-138.6 168.4 -25.8 15.0 -12.4 20 20 A P T 4 S+ 0 0 39 0, 0.0 51,-0.1 0, 0.0 49,-0.1 0.557 123.5 38.9 -60.0 -2.7 -23.5 14.8 -15.3 21 21 A A T 4 S+ 0 0 89 49,-0.1 48,-0.1 3,-0.0 -3,-0.0 0.714 112.8 45.5-119.0 -34.9 -26.5 15.5 -17.6 22 22 A N T 4 S+ 0 0 86 -3,-0.1 2,-0.4 -5,-0.1 47,-0.1 0.375 85.8 112.4 -90.6 3.8 -28.8 18.0 -16.1 23 23 A V < - 0 0 10 -4,-1.0 2,-0.2 45,-0.1 -5,-0.0 -0.653 68.4-126.5 -79.4 132.7 -25.8 20.2 -15.2 24 24 A D > - 0 0 69 -2,-0.4 4,-2.0 1,-0.1 3,-0.4 -0.518 22.1-109.4 -77.6 148.8 -25.7 23.5 -17.1 25 25 A T H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.660 112.8 59.9 -50.2 -20.6 -22.6 24.5 -19.1 26 26 A V H > S+ 0 0 83 2,-0.2 4,-2.8 3,-0.2 -1,-0.2 0.978 106.7 42.2 -73.0 -56.6 -21.7 27.3 -16.7 27 27 A T H > S+ 0 0 9 -3,-0.4 4,-2.8 1,-0.2 5,-0.4 0.933 117.0 51.6 -57.2 -41.2 -21.4 25.3 -13.6 28 28 A R H X S+ 0 0 71 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.974 110.7 44.5 -60.2 -57.3 -19.5 22.7 -15.6 29 29 A E H X S+ 0 0 132 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.887 117.9 48.5 -54.3 -38.6 -17.0 25.2 -17.1 30 30 A A H X S+ 0 0 9 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.901 108.2 48.5 -68.4 -48.8 -16.5 26.8 -13.7 31 31 A V H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.3 5,-0.2 0.954 111.9 53.6 -61.4 -40.1 -16.0 23.7 -11.6 32 32 A N H X S+ 0 0 74 -4,-2.6 4,-1.5 -5,-0.4 -1,-0.3 0.825 107.3 49.5 -61.7 -32.2 -13.6 22.7 -14.2 33 33 A Q H X S+ 0 0 118 -4,-1.2 4,-1.3 -3,-0.2 -1,-0.2 0.892 108.1 52.4 -73.4 -43.4 -11.6 26.0 -13.9 34 34 A V H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.823 109.9 49.8 -61.9 -30.0 -11.4 25.9 -10.2 35 35 A I H X S+ 0 0 10 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.843 107.4 54.4 -75.2 -37.0 -9.9 22.4 -10.5 36 36 A G H X S+ 0 0 38 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.804 107.6 51.4 -66.5 -25.6 -7.4 23.5 -13.1 37 37 A L H X>S+ 0 0 39 -4,-1.3 6,-1.9 2,-0.2 5,-0.8 0.757 109.9 47.9 -82.8 -29.8 -6.2 26.2 -10.6 38 38 A L H ><5S+ 0 0 5 -4,-1.0 3,-0.7 2,-0.2 -2,-0.2 0.851 107.0 56.0 -76.8 -36.0 -5.8 23.7 -7.8 39 39 A D H 3<5S+ 0 0 25 -4,-2.1 78,-0.4 1,-0.2 -2,-0.2 0.875 112.1 44.9 -60.6 -35.6 -3.9 21.5 -10.2 40 40 A S H 3<5S- 0 0 66 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.494 109.4-117.9 -89.1 -9.7 -1.5 24.5 -10.8 41 41 A G T <<5S+ 0 0 19 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.353 83.8 118.7 85.0 -4.3 -1.0 25.7 -7.2 42 42 A A S -A 52 0A 80 3,-3.8 3,-1.4 -2,-0.5 -2,-0.1 -0.990 67.6 -6.9-144.5 131.7 -2.4 33.4 7.3 50 50 A D T 3 S- 0 0 170 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.839 131.0 -54.8 49.3 40.3 -1.3 35.4 10.4 51 51 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.773 120.7 104.6 67.4 29.8 -0.0 32.2 11.9 52 52 A Q E < -A 49 0A 47 -3,-1.4 -3,-3.8 2,-0.0 2,-0.5 -0.999 69.6-128.5-140.5 136.6 -3.3 30.4 11.5 53 53 A W E -A 48 0A 61 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.3 -0.743 29.1-159.9 -83.4 130.6 -4.3 27.9 8.9 54 54 A V E -A 47 0A 53 -7,-4.6 -7,-1.7 -2,-0.5 2,-0.6 -0.931 9.4-142.4-118.7 138.4 -7.4 28.8 7.1 55 55 A T E -A 46 0A 34 -2,-0.4 2,-1.4 -9,-0.2 -9,-0.2 -0.801 4.8-150.2 -97.3 123.1 -9.8 26.6 5.2 56 56 A H >> - 0 0 49 -11,-2.5 3,-2.8 -2,-0.6 4,-1.2 -0.703 17.0-171.4 -84.2 84.7 -11.4 27.9 2.1 57 57 A Q H 3> S+ 0 0 70 -2,-1.4 4,-1.9 1,-0.3 -1,-0.2 0.808 79.2 61.5 -48.1 -36.3 -14.6 25.8 2.4 58 58 A W H 3> S+ 0 0 29 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.725 98.9 53.1 -71.4 -17.3 -15.8 26.9 -0.9 59 59 A L H <> S+ 0 0 0 -3,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.840 105.9 55.0 -80.6 -31.0 -12.8 25.3 -2.7 60 60 A K H X S+ 0 0 21 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.892 105.5 56.7 -64.9 -34.7 -13.6 22.0 -0.8 61 61 A K H X S+ 0 0 45 -4,-1.9 4,-3.3 1,-0.3 -1,-0.2 0.901 102.6 50.6 -64.5 -45.5 -17.1 22.4 -2.4 62 62 A A H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -1,-0.3 0.875 108.9 53.2 -61.6 -36.1 -15.8 22.5 -5.9 63 63 A V H >X S+ 0 0 1 -4,-1.6 3,-1.0 2,-0.2 4,-0.7 0.994 111.9 44.4 -61.2 -56.2 -13.9 19.4 -5.2 64 64 A L H >< S+ 0 0 42 -4,-2.6 3,-1.9 1,-0.3 4,-0.4 0.927 112.3 54.6 -48.9 -51.1 -17.0 17.6 -4.0 65 65 A L H >X S+ 0 0 1 -4,-3.3 4,-1.5 1,-0.3 3,-1.2 0.750 91.4 70.3 -60.4 -25.3 -19.0 19.1 -7.0 66 66 A S H -C 112 0C 64 24,-0.2 3,-1.2 1,-0.1 4,-0.3 -0.666 24.4-138.7 -84.8 128.6 -4.8 11.3 -14.2 89 89 A K G > S+ 0 0 12 22,-2.4 3,-0.6 -2,-0.5 4,-0.2 0.902 97.6 39.7 -49.7 -53.8 -2.5 14.3 -13.6 90 90 A F G 3 S+ 0 0 32 21,-0.5 3,-0.3 1,-0.2 -1,-0.2 0.377 80.2 105.6 -85.4 4.8 0.4 13.2 -15.7 91 91 A A G < S+ 0 0 84 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.831 88.2 37.8 -56.6 -33.4 -1.4 11.6 -18.6 92 92 A D S < S+ 0 0 89 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.720 89.4 116.7 -92.0 -19.4 -0.5 14.5 -20.9 93 93 A Y - 0 0 22 -3,-0.3 2,-0.2 -4,-0.2 -3,-0.0 -0.099 41.0-169.2 -52.6 143.3 3.1 15.3 -19.7 94 94 A D > - 0 0 93 1,-0.0 4,-2.0 0, 0.0 5,-0.2 -0.619 43.9 -91.1-118.8 180.0 6.1 14.9 -22.0 95 95 A E H > S+ 0 0 138 -2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.838 123.5 60.4 -63.2 -34.6 9.7 15.1 -20.9 96 96 A A H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.967 109.4 42.4 -55.0 -54.5 9.9 18.8 -21.5 97 97 A R H > S+ 0 0 87 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.877 113.9 49.0 -60.0 -45.3 7.2 19.4 -19.0 98 98 A F H X S+ 0 0 69 -4,-2.0 4,-1.8 2,-0.2 5,-0.5 0.935 111.8 53.8 -63.3 -39.7 8.5 16.9 -16.4 99 99 A Q H < S+ 0 0 137 -4,-3.4 -2,-0.2 -5,-0.2 3,-0.2 0.939 113.0 40.6 -61.2 -44.2 11.8 18.6 -17.0 100 100 A K H < S+ 0 0 161 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.842 110.4 58.0 -70.9 -35.9 10.4 22.0 -16.3 101 101 A E H < S- 0 0 49 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.778 93.4-148.1 -71.0 -20.0 8.2 20.9 -13.4 102 102 A G < + 0 0 11 -4,-1.8 18,-3.9 -3,-0.2 170,-0.3 0.730 51.1 107.5 68.1 29.2 11.3 19.5 -11.5 103 103 A F - 0 0 17 -5,-0.5 2,-0.4 16,-0.2 19,-0.2 -0.732 61.3-120.5-127.7 175.0 10.0 16.5 -9.5 104 104 A R E -d 122 0D 95 17,-2.2 19,-2.8 -2,-0.2 2,-0.6 -0.981 15.4-162.8-123.3 135.2 10.5 12.8 -9.8 105 105 A V E -d 123 0D 41 -2,-0.4 19,-0.2 17,-0.2 17,-0.0 -0.907 9.1-158.1-121.8 103.4 7.6 10.2 -10.3 106 106 A V > - 0 0 30 17,-2.5 3,-3.4 -2,-0.6 20,-0.2 -0.649 38.2 -76.5 -84.8 123.7 8.5 6.6 -9.6 107 107 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.404 116.2 18.5 -67.3 139.0 6.3 4.0 -11.2 108 108 A P T 3 S+ 0 0 88 0, 0.0 16,-0.1 0, 0.0 -2,-0.1 -0.743 87.0 131.0-104.7 48.1 3.8 3.2 -10.4 109 109 A A < - 0 0 14 -3,-3.4 2,-0.4 14,-0.2 18,-0.2 -0.236 40.9-159.6 -49.5 141.6 3.2 6.5 -8.3 110 110 A T E -m 127 0E 53 16,-2.2 18,-1.8 -3,-0.1 2,-0.4 -0.993 14.3-174.7-135.6 136.8 -0.2 8.0 -9.3 111 111 A V E -m 128 0E 3 -2,-0.4 -22,-2.4 16,-0.2 -21,-0.5 -0.987 18.8-134.5-134.5 135.9 -1.6 11.5 -8.9 112 112 A R B > -C 88 0C 27 16,-2.2 3,-0.9 -2,-0.4 -24,-0.2 -0.545 33.8-100.9 -82.9 150.2 -5.1 12.7 -9.7 113 113 A Q T 3 S+ 0 0 74 -26,-2.6 3,-0.1 1,-0.2 -1,-0.1 -0.413 107.8 51.2 -65.3 142.0 -5.6 16.0 -11.6 114 114 A G T 3 S+ 0 0 0 1,-0.4 17,-1.9 16,-0.2 2,-0.4 0.488 86.6 108.1 105.0 5.7 -6.5 18.8 -9.1 115 115 A A < - 0 0 0 -3,-0.9 2,-0.6 15,-0.2 -1,-0.4 -0.953 64.9-133.9-116.5 140.9 -3.5 18.1 -6.9 116 116 A F E -r 133 0F 36 16,-3.1 18,-3.5 -2,-0.4 2,-0.5 -0.793 17.6-171.6 -98.1 122.9 -0.5 20.3 -6.7 117 117 A I E -r 134 0F 4 -2,-0.6 18,-0.1 -78,-0.4 2,-0.1 -0.929 17.1-145.0-109.4 119.1 3.0 18.7 -6.9 118 118 A A > - 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