==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-AUG-11 3TK8 . COMPND 2 MOLECULE: 2,3,4,5-TETRAHYDROPYRIDINE-2,6-DICARBOXYLATE N- . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 776 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 159 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 77 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 1 3 0 0 0 0 5 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 45 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 . 10 7 0 5 0 0 0 0 3 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 . 3 0 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 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 37 A N > 0 0 167 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -23.9 1.6 97.1 -4.2 2 38 A M H > + 0 0 88 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.955 360.0 43.1 -56.3 -51.3 2.6 94.2 -6.5 3 39 A S H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.821 112.6 55.4 -63.2 -32.9 2.6 91.9 -3.5 4 40 A Q H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.906 109.9 43.4 -67.4 -45.6 -0.6 93.5 -2.2 5 41 A Q H X S+ 0 0 50 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.856 114.1 53.3 -67.2 -35.5 -2.5 92.8 -5.5 6 42 A L H X S+ 0 0 18 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.940 108.7 47.6 -64.6 -47.4 -1.0 89.3 -5.5 7 43 A Q H X S+ 0 0 70 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.884 107.2 58.1 -61.6 -39.7 -2.2 88.6 -1.9 8 44 A Q H X S+ 0 0 133 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.938 108.8 44.2 -56.4 -46.8 -5.7 89.9 -2.8 9 45 A I H X S+ 0 0 38 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.928 115.7 47.5 -63.9 -46.4 -6.0 87.3 -5.6 10 46 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.920 110.5 51.3 -62.6 -44.9 -4.6 84.4 -3.5 11 47 A D H X S+ 0 0 47 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.890 113.8 44.4 -62.8 -40.6 -6.8 85.2 -0.5 12 48 A N H X S+ 0 0 94 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.886 111.0 53.2 -70.2 -38.5 -9.9 85.3 -2.6 13 49 A A H < S+ 0 0 3 -4,-2.5 6,-0.2 2,-0.2 -2,-0.2 0.895 108.7 52.2 -60.0 -40.7 -8.9 82.1 -4.5 14 50 A W H >< S+ 0 0 37 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.934 108.2 48.5 -60.8 -50.5 -8.5 80.4 -1.1 15 51 A E H 3< S+ 0 0 69 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.884 120.9 38.7 -56.7 -36.1 -12.0 81.4 0.1 16 52 A N T >< S+ 0 0 76 -4,-2.0 3,-2.3 1,-0.2 -1,-0.3 0.061 78.7 124.6-101.5 25.3 -13.3 80.1 -3.3 17 53 A R G X + 0 0 89 -3,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.737 60.0 70.9 -66.2 -23.6 -11.0 77.1 -3.5 18 54 A A G 3 S+ 0 0 95 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.696 94.4 58.0 -64.2 -17.6 -13.8 74.6 -3.8 19 55 A E G < S+ 0 0 133 -3,-2.3 2,-0.3 -6,-0.2 -1,-0.3 0.591 96.6 86.2 -78.8 -13.4 -14.3 76.1 -7.4 20 56 A L < + 0 0 8 -3,-1.8 5,-0.2 -4,-0.3 51,-0.0 -0.713 43.2 138.0-105.9 140.3 -10.7 75.1 -8.3 21 57 A S B > -A 24 0A 44 3,-1.8 3,-0.8 -2,-0.3 50,-0.1 -0.929 66.9 -82.8-158.4 176.2 -9.2 71.9 -9.6 22 58 A P T 3 S+ 0 0 40 0, 0.0 51,-0.1 0, 0.0 3,-0.1 0.741 130.8 40.0 -62.8 -21.0 -6.6 70.9 -12.2 23 59 A K T 3 S+ 0 0 99 1,-0.2 2,-0.4 49,-0.1 48,-0.1 0.527 118.3 47.7 -99.6 -10.1 -9.2 71.2 -15.0 24 60 A A B < +A 21 0A 48 -3,-0.8 -3,-1.8 2,-0.0 2,-0.3 -0.873 67.2 110.3-144.8 103.2 -11.0 74.4 -13.7 25 61 A A - 0 0 28 -2,-0.4 -5,-0.1 -5,-0.2 46,-0.0 -0.863 61.2-103.1-169.5 136.7 -9.4 77.6 -12.6 26 62 A S > - 0 0 59 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.222 29.4-118.7 -62.8 152.4 -9.3 81.1 -14.1 27 63 A A H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.858 115.3 56.9 -58.1 -37.0 -6.1 82.3 -15.9 28 64 A E H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 109.4 43.6 -61.9 -44.6 -5.8 85.0 -13.2 29 65 A I H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.947 114.1 49.1 -67.1 -47.4 -5.7 82.6 -10.4 30 66 A R H X S+ 0 0 77 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 113.9 47.2 -58.9 -42.3 -3.4 80.1 -12.1 31 67 A E H X S+ 0 0 136 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.887 112.2 49.6 -67.9 -39.9 -1.0 83.0 -12.9 32 68 A A H X S+ 0 0 6 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.933 113.1 45.6 -62.7 -48.3 -1.1 84.4 -9.4 33 69 A V H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.929 113.4 50.0 -63.1 -45.4 -0.4 81.1 -7.7 34 70 A A H X S+ 0 0 57 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.880 111.0 49.9 -61.5 -37.3 2.4 80.3 -10.2 35 71 A H H X S+ 0 0 95 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.900 108.9 51.3 -69.3 -39.6 4.0 83.8 -9.5 36 72 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.916 111.5 47.9 -61.7 -43.5 3.8 83.3 -5.7 37 73 A I H X S+ 0 0 13 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.932 111.4 50.7 -63.4 -44.2 5.6 79.9 -6.1 38 74 A E H X S+ 0 0 22 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.898 110.7 48.9 -59.5 -43.1 8.2 81.5 -8.4 39 75 A Q H <>S+ 0 0 32 -4,-2.5 5,-1.9 2,-0.2 6,-1.4 0.875 111.8 48.4 -66.3 -38.7 8.8 84.3 -5.8 40 76 A L H ><5S+ 0 0 4 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.919 110.2 53.0 -64.0 -41.9 9.1 81.7 -3.0 41 77 A D H 3<5S+ 0 0 8 -4,-2.6 79,-0.5 1,-0.3 -2,-0.2 0.874 113.2 42.7 -63.6 -36.2 11.5 79.7 -5.2 42 78 A R T 3<5S- 0 0 163 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.454 111.7-120.0 -84.3 -7.1 13.7 82.9 -5.8 43 79 A G T < 5S+ 0 0 18 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.633 80.1 123.7 70.6 16.3 13.5 83.9 -2.1 44 80 A A S S-B 54 0B 67 3,-3.0 3,-1.5 -2,-0.4 -2,-0.0 -0.990 72.4 -16.3-126.6 121.3 8.3 91.9 11.2 52 88 A D T 3 S- 0 0 169 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.880 132.8 -47.5 50.7 43.9 8.7 94.7 13.8 53 89 A G T 3 S+ 0 0 62 1,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.326 122.4 94.0 88.4 -5.0 11.2 92.5 15.8 54 90 A A E < S-B 51 0B 53 -3,-1.5 -3,-3.0 -5,-0.1 2,-0.2 -0.954 79.8-109.1-130.4 137.2 9.1 89.3 15.8 55 91 A W E -B 50 0B 52 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.2 -0.451 45.4-177.5 -61.0 125.7 8.8 86.2 13.6 56 92 A T E -B 49 0B 53 -7,-2.8 -7,-2.1 -2,-0.2 2,-0.3 -0.986 20.7-133.1-134.6 140.7 5.6 86.4 11.7 57 93 A V E -B 48 0B 20 -2,-0.4 2,-0.9 -9,-0.2 -9,-0.2 -0.716 8.1-142.7 -94.2 140.0 3.9 84.1 9.2 58 94 A H >> - 0 0 44 -11,-3.2 3,-1.2 -2,-0.3 4,-1.1 -0.873 15.8-169.1 -96.3 98.5 2.4 85.2 5.9 59 95 A Q H 3> S+ 0 0 79 -2,-0.9 4,-2.4 1,-0.3 3,-0.3 0.870 80.6 63.0 -59.0 -36.2 -0.7 83.0 5.8 60 96 A W H 3> S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.777 99.0 54.4 -62.6 -27.0 -1.4 83.9 2.2 61 97 A L H <> S+ 0 0 2 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.859 107.7 49.2 -76.0 -35.0 1.9 82.3 1.1 62 98 A K H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.912 110.6 51.9 -64.9 -41.2 0.9 79.0 2.8 63 99 A K H X S+ 0 0 37 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.913 107.3 52.3 -59.0 -42.0 -2.5 79.4 1.0 64 100 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.934 109.5 49.4 -59.1 -46.4 -0.6 79.8 -2.3 65 101 A V H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.942 112.5 46.7 -57.0 -49.5 1.4 76.6 -1.6 66 102 A L H X S+ 0 0 26 -4,-2.5 4,-1.6 1,-0.2 3,-0.4 0.899 111.7 51.4 -63.8 -40.7 -1.8 74.7 -0.9 67 103 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.865 100.8 62.3 -61.1 -37.0 -3.5 76.1 -4.0 68 104 A S H < S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.856 105.6 47.6 -60.0 -32.9 -0.5 75.0 -6.1 69 105 A F H >< S+ 0 0 43 -4,-1.2 3,-1.3 -3,-0.4 -1,-0.2 0.921 109.9 51.5 -67.8 -46.3 -1.4 71.4 -5.0 70 106 A R H 3< S+ 0 0 100 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.810 107.6 53.8 -61.0 -32.1 -5.0 71.8 -5.9 71 107 A L T 3< S+ 0 0 11 -4,-2.0 2,-0.4 -50,-0.1 -1,-0.2 0.426 102.5 64.6 -87.7 -1.0 -4.3 73.1 -9.3 72 108 A E < - 0 0 106 -3,-1.3 2,-0.2 -4,-0.2 16,-0.1 -0.970 67.0-142.1-129.6 139.6 -2.1 70.3 -10.5 73 109 A D - 0 0 107 -2,-0.4 14,-0.1 -51,-0.1 2,-0.1 -0.634 33.8-101.7 -87.6 154.3 -2.6 66.5 -11.2 74 110 A N - 0 0 40 -2,-0.2 14,-0.3 12,-0.1 -1,-0.1 -0.461 45.6-179.9 -65.4 146.9 -0.1 63.9 -10.3 75 111 A A E -C 87 0C 50 12,-2.1 12,-1.5 -2,-0.1 10,-0.0 -0.986 34.6 -88.2-145.9 155.5 1.9 62.6 -13.4 76 112 A P E -C 86 0C 48 0, 0.0 10,-0.3 0, 0.0 540,-0.1 -0.337 36.8-151.9 -60.5 143.3 4.6 60.1 -14.0 77 113 A M E -C 85 0C 23 8,-2.4 8,-2.3 13,-0.0 2,-0.1 -0.985 13.6-133.4-123.0 118.9 8.1 61.5 -13.5 78 114 A P E +C 84 0C 71 0, 0.0 264,-2.0 0, 0.0 265,-0.2 -0.367 24.5 176.3 -79.3 151.9 10.9 59.8 -15.6 79 115 A A B -M 341 0D 2 4,-0.5 3,-0.5 262,-0.2 261,-0.2 0.038 61.0 -84.1-147.0 25.2 14.3 58.8 -14.1 80 116 A G S S- 0 0 33 260,-0.6 518,-0.6 1,-0.2 260,-0.1 0.511 83.4 -60.1 84.7 3.0 16.3 57.0 -16.9 81 117 A G B S+N 597 0E 48 2,-0.6 -1,-0.2 516,-0.2 516,-0.2 -0.199 113.5 89.6 128.4 -42.6 14.8 53.5 -16.5 82 118 A Y S S- 0 0 6 514,-1.9 527,-0.6 -3,-0.5 2,-0.3 0.829 104.8 -26.3 -66.4 -30.3 15.4 52.1 -13.0 83 119 A S - 0 0 2 513,-0.2 -2,-0.6 -4,-0.1 -4,-0.5 -0.948 57.2-131.1-164.2 178.7 12.2 53.5 -11.6 84 120 A Q E -C 78 0C 41 -2,-0.3 2,-0.2 -6,-0.1 527,-0.1 -0.956 12.4-143.6-138.3 159.2 9.6 56.2 -12.0 85 121 A F E -C 77 0C 0 -8,-2.3 -8,-2.4 -2,-0.3 2,-0.3 -0.629 4.0-153.9-116.4 174.0 7.9 58.7 -9.6 86 122 A Y E +CD 76 626C 27 540,-2.8 540,-2.6 -10,-0.3 2,-0.3 -0.773 38.4 118.1-157.3 101.7 4.4 60.0 -9.5 87 123 A D E -C 75 0C 6 -12,-1.5 -12,-2.1 -2,-0.3 -14,-0.1 -0.930 57.0-126.2-159.5 173.8 3.6 63.3 -8.0 88 124 A K S S+ 0 0 43 -2,-0.3 -14,-0.1 -14,-0.3 539,-0.0 0.276 83.5 81.4-117.8 5.2 2.3 66.8 -8.7 89 125 A V S S- 0 0 7 -17,-0.0 3,-0.1 44,-0.0 -1,-0.0 -0.964 72.8-138.6-116.0 117.4 5.1 69.0 -7.4 90 126 A P - 0 0 65 0, 0.0 26,-2.6 0, 0.0 2,-0.1 -0.347 25.6 -98.0 -71.8 156.0 8.0 69.5 -9.7 91 127 A S B > -O 115 0F 6 251,-0.6 3,-1.4 24,-0.2 4,-0.3 -0.455 27.8-125.1 -59.8 141.2 11.6 69.5 -8.6 92 128 A K T 3 S+ 0 0 7 22,-3.0 3,-0.3 1,-0.2 23,-0.1 0.831 113.3 46.5 -53.3 -33.1 13.1 73.0 -8.1 93 129 A F T > S+ 0 0 0 21,-0.5 3,-1.3 1,-0.2 -1,-0.2 0.371 77.0 109.1 -98.8 5.7 15.8 71.9 -10.5 94 130 A A T < S+ 0 0 33 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.858 93.5 25.1 -50.9 -45.3 13.6 70.4 -13.3 95 131 A N T 3 S+ 0 0 150 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.222 90.2 135.5-107.5 11.7 14.2 73.2 -15.8 96 132 A Y < - 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