==== 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 05-DEC-95 1TSV . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR J.FINER-MOORE,R.M.STROUD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 12.7 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 31 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 0 1 3 0 2 0 0 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 1 1 2 0 0 1 0 0 0 1 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 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 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 0 130 0, 0.0 3,-1.4 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0-176.8 4.4 28.0 -44.5 2 2 A L T 3 + 0 0 30 1,-0.3 4,-0.1 275,-0.2 37,-0.1 0.854 360.0 51.8 -52.9 -49.3 3.4 31.6 -45.0 3 3 A E T >> S+ 0 0 5 1,-0.2 4,-1.5 2,-0.1 3,-1.4 0.423 75.2 105.7 -76.5 4.4 6.6 32.9 -46.6 4 4 A Q H <> S+ 0 0 57 -3,-1.4 4,-2.8 1,-0.3 5,-0.2 0.873 70.9 63.2 -53.5 -41.3 6.8 30.2 -49.3 5 5 A P H 3> S+ 0 0 35 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.855 104.4 48.9 -52.9 -33.9 5.6 32.7 -52.0 6 6 A Y H X> S+ 0 0 0 -3,-1.4 4,-2.1 2,-0.2 3,-1.0 0.984 111.1 47.6 -65.8 -58.0 8.8 34.7 -51.4 7 7 A L H 3X S+ 0 0 5 -4,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.817 110.5 54.2 -53.6 -32.5 11.1 31.6 -51.5 8 8 A D H 3X S+ 0 0 72 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.3 0.833 105.2 52.1 -74.0 -29.9 9.3 30.6 -54.7 9 9 A L H - B 0 250A 61 -2,-0.4 3,-2.7 211,-0.2 4,-0.2 -0.788 13.4-162.3 -96.1 99.7 -3.1 35.7 -46.2 40 40 A L T 3 S+ 0 0 7 209,-1.4 3,-0.3 -2,-1.0 210,-0.1 0.477 84.8 68.5 -62.9 -4.6 -2.8 38.0 -43.2 41 41 A S T 3 S+ 0 0 65 208,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.620 96.4 56.9 -86.1 -13.3 -5.2 35.8 -41.1 42 42 A K S < S- 0 0 148 -3,-2.7 2,-0.2 1,-0.4 -2,-0.2 0.456 123.8 -79.9 -93.2 -5.9 -2.5 33.2 -41.1 43 43 A G - 0 0 12 -3,-0.3 -1,-0.4 -4,-0.2 238,-0.2 -0.681 59.9 -45.5 132.2 175.7 0.1 35.5 -39.6 44 44 A F - 0 0 2 236,-2.2 2,-2.4 -2,-0.2 187,-0.1 -0.709 46.0-133.8 -86.5 123.4 2.6 38.4 -40.3 45 45 A P + 0 0 3 0, 0.0 2,-0.7 0, 0.0 186,-0.1 -0.158 55.8 138.1 -72.5 48.4 4.7 37.8 -43.4 46 46 A L - 0 0 2 -2,-2.4 -43,-0.1 234,-0.1 -2,-0.1 -0.870 63.5-107.9 -93.3 116.4 8.0 38.8 -41.7 47 47 A L - 0 0 1 -2,-0.7 5,-0.4 180,-0.2 3,-0.2 -0.102 30.4-172.6 -47.3 134.7 10.6 36.2 -43.0 48 48 A T S S+ 0 0 0 229,-0.1 259,-2.7 1,-0.1 -1,-0.1 0.574 76.2 80.7-101.1 -17.5 11.8 33.7 -40.5 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.183 111.2 8.2 -76.0 19.1 14.4 32.3 -42.9 50 50 A K S S- 0 0 17 -3,-0.2 2,-0.5 257,-0.1 259,-0.2 -0.672 92.4 -92.5 168.7 139.0 16.6 35.3 -41.8 51 51 A K - 0 0 107 256,-0.7 259,-0.2 -2,-0.2 -3,-0.1 -0.573 40.5-173.1 -68.8 111.5 16.4 38.0 -39.2 52 52 A V - 0 0 5 -2,-0.5 2,-1.1 -5,-0.4 3,-0.1 -0.933 30.3-117.8-105.5 129.9 14.7 41.1 -40.7 53 53 A P > - 0 0 42 0, 0.0 4,-0.8 0, 0.0 3,-0.5 -0.590 25.1-170.0 -72.6 99.3 14.7 44.1 -38.4 54 54 A F H >> S+ 0 0 21 -2,-1.1 4,-2.9 1,-0.2 3,-0.7 0.846 80.2 66.4 -58.9 -32.1 11.1 44.9 -37.7 55 55 A G H 3> S+ 0 0 36 1,-0.3 4,-3.0 2,-0.2 5,-0.4 0.912 96.0 52.0 -56.4 -48.6 12.0 48.2 -36.1 56 56 A L H 3> S+ 0 0 54 -3,-0.5 4,-0.7 1,-0.2 -1,-0.3 0.768 115.3 45.3 -59.4 -26.0 13.3 49.8 -39.3 57 57 A I H <>S+ 0 0 0 -4,-1.5 5,-1.7 1,-0.2 3,-1.0 0.967 110.0 40.8 -57.2 -55.3 7.3 58.2 -40.6 64 64 A F H ><5S+ 0 0 5 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.896 111.8 58.8 -58.3 -43.9 5.4 58.0 -44.0 65 65 A L H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.708 101.7 53.7 -58.7 -26.2 2.1 57.9 -42.0 66 66 A H T <<5S- 0 0 61 -4,-1.4 -1,-0.3 -3,-1.0 -2,-0.2 0.342 112.3-118.4 -91.5 4.8 2.9 61.3 -40.4 67 67 A G T < 5 + 0 0 30 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.820 60.7 161.3 60.7 29.4 3.5 62.9 -43.8 68 68 A D < + 0 0 46 -5,-1.7 79,-0.3 -6,-0.2 -1,-0.2 -0.632 27.6 173.7 -86.4 136.1 7.0 63.5 -42.6 69 69 A T + 0 0 24 -2,-0.3 73,-3.1 78,-0.1 2,-0.6 0.355 51.8 99.9-119.1 -1.8 9.8 64.3 -45.1 70 70 A N B > -F 141 0B 26 71,-0.3 3,-1.7 1,-0.1 4,-0.4 -0.821 63.0-149.6 -96.6 121.4 12.5 65.1 -42.6 71 71 A I T >> S+ 0 0 0 69,-2.4 4,-1.9 -2,-0.6 3,-0.8 0.717 84.9 87.5 -54.4 -26.3 15.0 62.4 -41.8 72 72 A R H 3> S+ 0 0 45 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.789 84.2 55.5 -48.2 -32.9 15.4 63.8 -38.3 73 73 A F H <4 S+ 0 0 27 -3,-1.7 4,-0.5 2,-0.2 -1,-0.3 0.919 107.7 48.0 -67.8 -44.6 12.5 61.6 -37.2 74 74 A L H X4>S+ 0 0 0 -3,-0.8 3,-2.4 -4,-0.4 5,-1.7 0.972 108.3 53.8 -59.1 -55.4 14.2 58.4 -38.4 75 75 A L H ><5S+ 0 0 11 -4,-1.9 3,-1.7 1,-0.3 -1,-0.2 0.758 99.9 60.7 -52.8 -33.5 17.5 59.2 -36.8 76 76 A Q T 3<5S+ 0 0 103 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.688 109.3 44.4 -68.6 -19.8 16.0 59.7 -33.3 77 77 A H T < 5S- 0 0 56 -3,-2.4 -1,-0.3 -4,-0.5 -2,-0.2 0.010 124.2-107.9-110.0 22.6 14.8 56.1 -33.6 78 78 A R T < 5S+ 0 0 200 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.819 71.1 145.4 54.0 40.9 18.2 55.0 -34.9 79 79 A N < + 0 0 0 -5,-1.7 3,-0.2 -8,-0.1 -1,-0.2 -0.925 20.3 170.5-110.4 115.2 17.0 54.5 -38.5 80 80 A H > + 0 0 101 -2,-0.6 4,-0.5 1,-0.2 3,-0.4 0.149 39.7 118.4-110.8 20.8 19.5 55.4 -41.1 81 81 A I T 4 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.820 87.1 31.3 -54.2 -37.6 17.6 54.0 -44.1 82 82 A W T >> S+ 0 0 41 -3,-0.2 3,-1.7 1,-0.1 4,-1.1 0.556 86.2 101.8-102.6 -8.4 17.4 57.4 -45.8 83 83 A D H >> S+ 0 0 6 -3,-0.4 4,-2.4 1,-0.3 3,-0.9 0.870 74.7 66.0 -40.2 -51.1 20.6 59.1 -44.5 84 84 A E H 3X S+ 0 0 75 -4,-0.5 4,-2.0 1,-0.3 -1,-0.3 0.795 101.9 47.0 -41.8 -43.5 22.3 58.5 -47.9 85 85 A W H <> S+ 0 0 79 -3,-1.7 4,-0.9 2,-0.2 -1,-0.3 0.825 113.3 45.1 -74.1 -37.6 19.9 60.8 -49.7 86 86 A A H XX S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.9 3,-1.1 0.981 112.9 53.0 -67.6 -56.0 20.1 63.8 -47.4 87 87 A F H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.860 101.9 56.9 -46.1 -52.4 23.8 63.5 -47.2 88 88 A E H 3X S+ 0 0 61 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.3 0.872 108.1 48.9 -53.6 -35.2 24.4 63.6 -50.9 89 89 A K H << S+ 0 0 59 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.941 110.8 50.3 -65.7 -49.6 22.5 66.9 -51.0 90 90 A W H >< S+ 0 0 26 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.851 107.4 56.2 -55.1 -41.0 24.6 68.3 -48.2 91 91 A V H 3< S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.924 107.5 44.1 -62.2 -49.4 27.8 67.2 -50.0 92 92 A K T 3< S+ 0 0 154 -4,-1.7 -1,-0.2 -5,-0.2 2,-0.2 0.050 97.0 102.6 -89.0 30.7 27.3 69.1 -53.3 93 93 A S S X S- 0 0 26 -3,-1.1 3,-1.5 1,-0.1 -3,-0.0 -0.689 83.5-111.7-108.7 163.4 26.1 72.3 -51.5 94 94 A D T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.807 113.5 61.0 -61.3 -32.4 28.0 75.5 -50.9 95 95 A E T 3 S+ 0 0 100 -5,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.540 79.9 102.7 -76.1 -4.6 28.1 74.9 -47.1 96 96 A Y < + 0 0 28 -3,-1.5 2,-0.5 -6,-0.2 -5,-0.0 -0.698 40.2 167.7 -84.9 119.3 30.1 71.7 -47.5 97 97 A H + 0 0 157 -2,-0.6 3,-0.0 2,-0.0 -3,-0.0 -0.900 43.1 68.0-131.2 95.3 33.7 72.2 -46.6 98 98 A G S S- 0 0 43 -2,-0.5 -2,-0.0 -7,-0.1 0, 0.0 -0.975 84.0 -8.4 177.8-172.8 35.4 68.9 -46.3 99 99 A P S S- 0 0 60 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.018 71.4-105.4 -40.3 143.8 36.7 65.7 -48.1 100 100 A D - 0 0 102 1,-0.1 3,-0.1 -3,-0.0 4,-0.1 0.748 41.5-178.6 -43.1 -46.8 35.6 65.3 -51.8 101 101 A M > + 0 0 1 1,-0.2 3,-1.9 2,-0.1 4,-0.2 0.521 19.4 157.2 54.9 6.8 32.9 62.6 -51.2 102 102 A T T 3 S- 0 0 81 1,-0.3 5,-0.2 2,-0.1 -1,-0.2 -0.432 75.7 -0.5 -65.5 135.0 32.1 62.4 -54.9 103 103 A D T >> S+ 0 0 93 1,-0.1 3,-2.3 -3,-0.1 4,-1.4 0.621 86.9 169.1 58.8 16.7 30.5 59.1 -55.7 104 104 A F H <> + 0 0 22 -3,-1.9 4,-2.6 1,-0.3 5,-0.3 0.637 65.1 60.6 -26.4 -43.3 31.0 58.3 -52.0 105 105 A G H 3> S+ 0 0 10 2,-0.2 4,-1.1 -4,-0.2 -1,-0.3 0.914 113.9 34.3 -59.4 -45.8 28.8 55.2 -52.2 106 106 A H H <> S+ 0 0 65 -3,-2.3 4,-0.9 2,-0.2 3,-0.5 0.968 117.9 52.0 -72.4 -55.5 31.1 53.5 -54.7 107 107 A R H X S+ 0 0 90 -4,-1.4 4,-1.4 1,-0.3 3,-0.5 0.829 111.1 48.3 -50.4 -39.8 34.4 54.9 -53.4 108 108 A S H < S+ 0 0 23 -4,-2.6 7,-0.3 -5,-0.3 -1,-0.3 0.847 108.5 53.3 -71.4 -35.7 33.5 53.7 -49.9 109 109 A Q H < S+ 0 0 115 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.597 118.6 38.7 -72.8 -10.0 32.6 50.3 -51.1 110 110 A K H < S+ 0 0 188 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.567 111.2 54.5-117.0 -14.3 36.1 50.3 -52.8 111 111 A D X - 0 0 62 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 -0.974 57.0-156.3-131.8 125.6 38.5 51.9 -50.3 112 112 A P H > S+ 0 0 96 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.931 97.8 42.2 -60.2 -53.1 39.1 51.0 -46.6 113 113 A E H >> S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 3,-0.7 0.964 113.3 53.4 -60.4 -51.7 40.3 54.4 -45.5 114 114 A F H >> S+ 0 0 13 1,-0.3 4,-3.4 2,-0.2 3,-0.5 0.904 103.3 56.2 -49.0 -52.2 37.7 56.3 -47.4 115 115 A A H 3X S+ 0 0 18 -4,-2.3 4,-2.6 -7,-0.3 -1,-0.3 0.883 108.6 48.5 -49.4 -41.1 34.9 54.3 -45.9 116 116 A A H S+ 0 0 50 -5,-0.3 4,-0.8 -4,-0.3 -1,-0.2 0.864 108.2 47.8 -75.5 -38.1 28.4 60.9 -38.4 124 124 A K H >X S+ 0 0 116 -4,-1.7 4,-1.8 2,-0.2 3,-1.1 0.964 111.3 50.5 -63.7 -53.5 28.9 64.7 -38.4 125 125 A F H 3X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.3 3,-0.3 0.909 107.0 53.6 -50.6 -50.5 25.8 65.2 -40.7 126 126 A D H 3X S+ 0 0 20 -4,-1.8 4,-0.9 1,-0.2 -1,-0.3 0.752 108.7 50.3 -60.3 -25.0 23.6 63.0 -38.5 127 127 A D H S+ 0 0 113 -2,-1.2 4,-2.4 1,-0.3 -1,-0.2 0.795 89.3 47.6 -51.6 -35.5 17.0 72.9 -36.3 134 134 A A H > S+ 0 0 70 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.856 113.6 48.0 -75.4 -34.5 17.9 75.1 -39.3 135 135 A F H >>>S+ 0 0 6 -3,-0.5 4,-3.4 -7,-0.2 5,-0.7 0.944 112.5 47.9 -69.3 -48.7 20.3 72.5 -40.6 136 136 A A H 3X>S+ 0 0 0 -4,-3.5 4,-2.5 -8,-0.5 5,-1.1 0.960 112.8 50.7 -53.2 -50.2 17.7 69.8 -40.2 137 137 A A H 3<5S+ 0 0 64 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.712 118.7 36.7 -61.7 -25.3 15.2 72.1 -41.9 138 138 A K H <<5S+ 0 0 140 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.746 135.3 16.3-101.0 -25.1 17.6 72.7 -44.8 139 139 A Y H <5S+ 0 0 15 -4,-3.4 -3,-0.2 -5,-0.1 -49,-0.2 0.635 119.0 55.8-123.1 -23.8 19.3 69.3 -45.2 140 140 A G T <> S- 0 0 8 -2,-0.9 3,-2.5 -81,-0.0 4,-1.2 -0.790 77.8 -83.0-120.3 162.4 9.6 60.9 -50.2 146 146 A Y H 3> S+ 0 0 21 -2,-0.3 4,-3.2 1,-0.3 5,-0.3 0.786 122.4 60.1 -33.8 -57.4 6.5 58.7 -49.7 147 147 A G H 3> S+ 0 0 0 -79,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.647 109.1 47.3 -52.5 -17.4 4.9 60.5 -46.7 148 148 A S H <> S+ 0 0 15 -3,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.868 112.8 45.4 -90.4 -45.4 4.7 63.6 -49.0 149 149 A Q H < S+ 0 0 17 -4,-1.2 4,-0.3 1,-0.2 14,-0.2 0.849 119.7 44.3 -66.6 -31.9 3.2 61.8 -52.0 150 150 A W H < S+ 0 0 0 -4,-3.2 14,-2.3 -5,-0.2 -1,-0.2 0.917 129.2 21.3 -75.9 -47.3 0.8 60.0 -49.7 151 151 A R H < S+ 0 0 59 -4,-1.0 -2,-0.2 -5,-0.3 -3,-0.1 0.255 130.3 30.4-112.4 12.5 -0.2 63.0 -47.5 152 152 A A < + 0 0 24 -4,-2.0 2,-0.3 2,-0.0 10,-0.2 -0.006 61.6 177.7-163.7 45.8 0.5 66.2 -49.4 153 153 A W E -G 161 0C 51 8,-2.5 8,-2.8 -4,-0.3 2,-0.4 -0.373 33.7-129.2 -58.1 112.2 0.2 65.7 -53.1 154 154 A H E -G 160 0C 110 -2,-0.3 6,-0.3 6,-0.2 5,-0.1 -0.549 24.3-149.6 -71.3 124.7 0.8 69.2 -54.5 155 155 A T > - 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