==== 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 (METHYLTRANSFERASE) 22-JUN-95 1LCB . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR D.L.BIRDSALL,J.FINER-MOORE,R.M.STROUD . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 10.4 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 . 1 0.3 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 . 1 0.3 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 . 37 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 24.6 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 0 3 0 0 1 0 1 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 1 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 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 0 125 0, 0.0 3,-1.4 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 178.8 5.0 26.2 -41.2 2 2 A L T 3 + 0 0 24 40,-0.3 45,-0.1 1,-0.2 277,-0.1 0.671 360.0 41.5 -38.2 -77.9 4.7 30.1 -41.6 3 3 A E T >> S+ 0 0 4 43,-0.3 3,-2.1 41,-0.2 4,-1.1 0.667 84.1 110.2 -49.0 -11.4 7.8 31.7 -43.5 4 4 A Q H <> + 0 0 67 -3,-1.4 4,-3.0 1,-0.3 5,-0.2 0.638 63.7 63.9 -43.8 -25.1 7.8 28.7 -46.1 5 5 A P H 3> S+ 0 0 37 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.842 105.7 47.2 -64.7 -27.8 6.6 30.8 -49.2 6 6 A Y H <> S+ 0 0 0 -3,-2.1 4,-1.7 2,-0.2 5,-0.2 0.843 114.8 45.5 -72.8 -39.1 9.8 32.8 -48.9 7 7 A L H X S+ 0 0 7 -4,-1.1 4,-2.0 2,-0.2 3,-0.4 0.984 117.2 43.9 -72.8 -39.5 11.7 29.4 -48.6 8 8 A D H X S+ 0 0 69 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.879 113.6 53.5 -67.2 -39.5 9.7 28.0 -51.5 9 9 A L H X S+ 0 0 2 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.735 109.5 46.3 -67.6 -29.8 10.2 31.4 -53.5 10 10 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 -3,-0.4 -2,-0.2 0.909 106.9 57.7 -78.8 -37.1 14.0 31.4 -53.1 11 11 A K H < S+ 0 0 111 -4,-2.0 3,-0.4 1,-0.2 5,-0.3 0.933 107.2 49.0 -56.8 -46.9 14.3 27.7 -54.2 12 12 A K H X S+ 0 0 74 -4,-1.7 4,-0.7 1,-0.2 3,-0.5 0.848 107.4 55.8 -57.2 -46.2 12.5 28.5 -57.5 13 13 A V H X S+ 0 0 1 -4,-1.0 4,-1.0 1,-0.2 2,-0.8 0.910 94.8 68.4 -57.6 -40.5 14.8 31.5 -58.2 14 14 A L H < S+ 0 0 12 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.1 -0.021 119.8 2.0-103.1 58.3 18.3 29.7 -58.0 15 15 A D H 4 S+ 0 0 132 -2,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.048 137.1 51.0-170.4 -39.5 18.8 27.3 -60.9 16 16 A E H < S+ 0 0 126 -4,-0.7 2,-0.2 -5,-0.3 -2,-0.2 0.072 90.2 88.2 -91.7 -0.9 15.4 28.1 -62.5 17 17 A G S < S- 0 0 19 -4,-1.0 2,-0.6 243,-0.1 14,-0.2 -0.598 78.8-110.2 -93.8 177.3 15.5 31.9 -62.7 18 18 A H B -A 30 0A 86 12,-1.7 12,-2.2 -2,-0.2 2,-0.1 -0.921 26.9-118.2-113.7 124.3 16.9 33.8 -65.4 19 19 A F + 0 0 129 -2,-0.6 10,-0.2 10,-0.3 8,-0.1 -0.409 39.3 177.4 -48.3 128.8 20.0 35.7 -65.0 20 20 A K - 0 0 80 -2,-0.1 2,-0.4 8,-0.1 6,-0.1 -0.911 27.3-123.9-146.2 124.0 19.2 39.5 -65.5 21 21 A P - 0 0 102 0, 0.0 2,-0.2 0, 0.0 7,-0.1 -0.510 25.4-162.2 -72.5 121.8 21.7 42.3 -65.1 22 22 A D > - 0 0 34 -2,-0.4 3,-1.1 1,-0.1 5,-0.3 -0.481 36.2 -95.6 -87.8 164.9 20.8 45.0 -62.6 23 23 A R T 3 S+ 0 0 163 1,-0.2 -1,-0.1 -2,-0.2 4,-0.0 0.901 123.5 58.6 -42.3 -51.3 22.3 48.7 -62.3 24 24 A T T 3 S- 0 0 3 3,-0.1 -1,-0.2 291,-0.1 292,-0.0 0.818 113.1-129.0 -47.5 -27.7 24.9 47.6 -59.5 25 25 A H S < S+ 0 0 152 -3,-1.1 -2,-0.1 2,-0.1 -1,-0.1 0.976 79.9 105.8 62.1 66.9 26.0 45.2 -62.2 26 26 A T - 0 0 62 1,-0.2 237,-0.5 -4,-0.1 236,-0.3 -0.166 67.7-147.8-153.2 53.8 26.0 41.9 -60.6 27 27 A G - 0 0 3 -5,-0.3 2,-0.2 234,-0.1 -1,-0.2 0.137 10.6-124.9 32.7-139.4 22.9 40.5 -62.2 28 28 A T - 0 0 2 233,-0.2 2,-0.4 234,-0.1 233,-0.2 -0.970 15.3-117.3-176.8 178.7 20.3 38.0 -60.9 29 29 A Y E + B 0 260A 71 231,-0.6 231,-2.6 -2,-0.2 2,-0.3 -0.903 58.5 170.9-129.0 115.0 18.4 34.9 -61.1 30 30 A S E -AB 18 259A 2 -12,-2.2 -12,-1.7 -2,-0.4 2,-0.2 -0.857 36.2-168.2-127.0 170.4 14.8 36.2 -61.3 31 31 A I - 0 0 28 227,-1.7 2,-0.3 -2,-0.3 227,-0.2 -0.635 15.0-151.8-123.8-171.4 11.1 35.6 -61.9 32 32 A F S S+ 0 0 154 1,-0.3 225,-0.2 -2,-0.2 224,-0.1 -0.788 70.5 54.6-167.8 126.5 8.5 38.2 -62.3 33 33 A G + 0 0 50 223,-0.8 -1,-0.3 222,-0.3 2,-0.3 0.574 64.6 151.1 95.4 99.0 5.0 37.2 -61.3 34 34 A H E -D 255 0B 35 221,-0.6 221,-2.4 -3,-0.1 2,-0.4 -0.946 21.6-176.1-166.4 134.7 4.8 36.0 -57.8 35 35 A Q E -D 254 0B 106 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.971 10.3-175.5-150.3 128.9 2.3 36.0 -55.1 36 36 A M E -D 253 0B 5 217,-0.9 217,-1.6 -2,-0.4 2,-0.4 -0.976 7.4-151.2-127.9 128.3 2.8 34.8 -51.7 37 37 A R E +D 252 0B 116 -2,-0.3 2,-0.3 215,-0.2 215,-0.2 -0.918 12.3 177.9-124.5 149.1 0.6 34.3 -48.5 38 38 A F E -D 251 0B 3 213,-3.0 213,-1.6 -2,-0.4 2,-0.5 -0.955 16.8-150.5-129.9 144.7 0.9 34.3 -44.7 39 39 A D E > -D 250 0B 51 -2,-0.3 3,-2.0 211,-0.2 211,-0.2 -0.964 10.6-154.7-126.8 106.5 -2.0 33.8 -42.1 40 40 A L T 3 S+ 0 0 3 209,-1.8 3,-0.4 -2,-0.5 210,-0.1 0.383 82.7 72.3 -79.3 11.5 -1.1 35.6 -39.0 41 41 A S T 3 S+ 0 0 81 208,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.678 92.5 61.4 -92.3 -22.1 -3.1 33.5 -36.4 42 42 A K S < S- 0 0 172 -3,-2.0 -40,-0.3 1,-0.4 -1,-0.2 0.018 124.6-116.8 -89.2 35.5 -0.5 30.9 -37.0 43 43 A G - 0 0 14 -3,-0.4 -1,-0.4 239,-0.1 238,-0.2 -0.259 57.7 -8.5 66.2-150.6 1.7 33.8 -35.6 44 44 A F - 0 0 1 236,-2.1 2,-0.9 -3,-0.1 -41,-0.2 -0.724 45.3-140.9 -91.1 123.7 4.4 35.7 -37.2 45 45 A P + 0 0 1 0, 0.0 2,-0.4 0, 0.0 186,-0.1 -0.019 54.5 143.7 -70.5 35.5 6.1 35.0 -40.6 46 46 A L - 0 0 3 -2,-0.9 2,-1.0 1,-0.1 -43,-0.3 -0.615 59.2-101.9 -82.9 129.2 9.4 36.0 -39.1 47 47 A L > + 0 0 1 -2,-0.4 3,-1.1 180,-0.2 260,-0.3 -0.329 40.0 171.9 -70.6 87.5 12.3 33.8 -40.4 48 48 A T T 3 S+ 0 0 2 -2,-1.0 259,-1.4 230,-0.3 -1,-0.2 0.771 71.5 73.7 -65.4 -25.0 13.5 31.0 -38.1 49 49 A T T 3 S+ 0 0 0 257,-0.2 -1,-0.2 225,-0.1 2,-0.2 0.778 119.3 0.9 -60.2 -30.7 15.9 29.5 -40.8 50 50 A K S < S- 0 0 9 -3,-1.1 257,-1.0 257,-0.1 2,-0.5 -0.543 99.9 -87.4-126.7-158.3 18.5 32.4 -40.5 51 51 A K - 0 0 96 257,-0.2 259,-0.2 -2,-0.2 -3,-0.1 -0.995 37.8-178.1-123.7 129.8 18.1 35.4 -38.0 52 52 A V - 0 0 1 -2,-0.5 2,-0.6 -5,-0.1 172,-0.0 -0.886 30.2-124.3-105.7 136.0 16.2 38.3 -39.2 53 53 A P - 0 0 65 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.830 21.2-169.6 -95.6 131.5 16.2 41.1 -36.5 54 54 A F S >> S+ 0 0 19 -2,-0.6 4,-3.0 2,-0.2 3,-2.2 0.886 75.6 66.2 -78.4 -40.0 12.7 42.4 -35.3 55 55 A G H 3> S+ 0 0 31 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.917 105.1 47.5 -46.8 -51.3 13.6 45.5 -33.2 56 56 A L H 34 S+ 0 0 51 2,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.273 111.5 48.0 -74.8 -1.7 14.9 47.2 -36.2 57 57 A I H <> S+ 0 0 0 -3,-2.2 4,-1.9 2,-0.1 -1,-0.2 0.744 114.2 49.8 -97.7 -51.8 11.8 46.4 -38.4 58 58 A K H X S+ 0 0 32 -4,-3.0 4,-1.3 2,-0.2 -2,-0.3 0.810 112.4 45.9 -60.2 -35.3 9.6 47.5 -35.5 59 59 A S H >X S+ 0 0 2 -4,-2.4 4,-1.6 -5,-0.3 3,-0.6 0.999 109.9 54.2 -75.3 -48.6 11.5 50.8 -35.1 60 60 A E H 3> S+ 0 0 12 -4,-0.3 4,-1.7 1,-0.3 -2,-0.2 0.740 108.5 52.8 -37.6 -44.9 11.5 51.4 -39.0 61 61 A L H 3X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -1,-0.3 0.856 103.3 48.1 -64.8 -58.8 7.8 51.1 -39.0 62 62 A L H <>S+ 0 0 0 -4,-1.6 3,-2.0 2,-0.2 5,-1.3 0.970 108.5 42.2 -47.6 -59.9 8.8 56.0 -37.9 64 64 A F H ><5S+ 0 0 7 -4,-1.7 3,-1.9 1,-0.3 -2,-0.2 0.921 112.8 53.0 -52.8 -57.3 6.7 55.7 -41.2 65 65 A L H 3<5S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.485 102.0 62.3 -55.5 -8.6 3.3 55.5 -39.3 66 66 A H T <<5S- 0 0 67 -3,-2.0 -1,-0.2 -4,-0.7 -2,-0.2 0.334 114.1-113.7 -96.9 3.6 4.3 58.9 -37.4 67 67 A G T < 5S+ 0 0 30 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.630 71.0 145.3 69.8 26.2 4.4 60.9 -40.6 68 68 A D < + 0 0 52 -5,-1.3 79,-0.3 -6,-0.2 -1,-0.2 -0.333 37.8 169.5-100.3 163.8 8.1 61.3 -40.1 69 69 A T + 0 0 23 78,-0.1 73,-1.6 -2,-0.1 2,-0.9 0.115 44.8 116.2-153.8 -0.8 11.1 61.5 -42.3 70 70 A N B > -H 141 0C 24 71,-0.2 3,-1.6 1,-0.2 4,-0.4 -0.843 49.0-159.3 -97.4 101.6 13.9 62.6 -39.9 71 71 A I T 3> S+ 0 0 0 69,-2.7 4,-2.5 -2,-0.9 5,-0.2 0.641 83.6 87.8 -38.0 -34.5 16.6 59.9 -39.6 72 72 A R H 3> S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.917 91.9 43.0 -30.3 -62.7 17.3 61.8 -36.3 73 73 A F H <> S+ 0 0 34 -3,-1.6 4,-2.3 2,-0.2 6,-0.3 0.854 105.9 59.3 -54.9 -47.8 14.7 59.6 -34.7 74 74 A L H 4>S+ 0 0 0 -4,-0.4 5,-3.2 1,-0.2 3,-0.2 0.937 106.6 51.8 -56.8 -36.6 15.9 56.3 -36.4 75 75 A L H ><5S+ 0 0 12 -4,-2.5 3,-2.7 3,-0.2 -1,-0.2 0.924 106.9 52.0 -60.0 -54.1 19.2 57.0 -34.7 76 76 A Q H 3<5S+ 0 0 93 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.846 106.8 51.2 -52.4 -43.2 17.5 57.4 -31.2 77 77 A H T 3<5S- 0 0 47 -4,-2.3 -1,-0.3 -3,-0.2 -2,-0.2 0.161 128.6-105.0 -85.5 26.6 15.7 54.2 -31.4 78 78 A R T < 5S+ 0 0 225 -3,-2.7 -3,-0.2 1,-0.2 2,-0.2 0.531 78.4 135.3 61.1 31.5 19.2 52.8 -32.2 79 79 A N < + 0 0 0 -5,-3.2 -1,-0.2 -6,-0.3 -2,-0.1 -0.635 25.3 164.2-111.2 147.7 18.4 52.4 -36.0 80 80 A H > + 0 0 99 -2,-0.2 3,-1.2 -6,-0.1 4,-0.3 0.263 40.5 114.7-150.7 9.1 20.6 53.3 -39.0 81 81 A I T 3 S+ 0 0 12 1,-0.2 2,-0.5 2,-0.1 3,-0.3 0.924 83.8 43.9 -43.0 -54.2 19.1 51.5 -42.0 82 82 A W T 3> S+ 0 0 17 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 -0.016 89.8 106.0 -89.5 35.0 18.1 54.7 -43.8 83 83 A D H X> + 0 0 9 -3,-1.2 3,-0.7 -2,-0.5 4,-0.6 0.929 62.4 58.8 -78.4 -55.9 21.5 56.5 -43.1 84 84 A E H 3> S+ 0 0 53 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.462 96.2 66.3 -52.8 -23.9 23.5 56.6 -46.2 85 85 A W H 3> S+ 0 0 52 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.947 105.7 42.8 -71.3 -38.8 20.7 58.6 -48.1 86 86 A A H X S+ 0 0 98 -4,-2.1 3,-0.9 2,-0.2 4,-0.8 0.938 114.5 48.8 -44.8 -56.1 25.0 60.9 -50.0 89 89 A K H >X S+ 0 0 65 -4,-2.0 3,-1.8 1,-0.2 4,-0.8 0.965 111.9 44.2 -51.3 -78.7 23.4 64.3 -49.1 90 90 A W H 3< S+ 0 0 5 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.384 113.7 49.0 -54.7 7.1 26.2 65.5 -46.5 91 91 A V H << S+ 0 0 20 -3,-0.9 10,-0.3 -4,-0.9 -1,-0.2 0.482 116.5 39.6-121.2 -12.7 29.4 64.5 -48.7 92 92 A K H << S+ 0 0 137 -3,-1.8 -2,-0.2 -4,-0.8 -3,-0.1 0.156 105.5 142.9 -97.4 -6.5 28.2 66.1 -51.8 93 93 A S < - 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