==== 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 07-MAY-93 1TYS . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.FAUMAN,E.RUTENBER,R.STROUD . 265 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 15.5 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 25 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 0 1 1 0 0 1 0 2 0 0 0 0 0 1 0 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 2 1 0 0 0 1 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 X > 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 151.3 11.8 -14.9 46.4 2 2 A K H > + 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.903 360.0 45.8 -51.3 -53.1 9.2 -12.6 44.8 3 3 A Q H > S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 114.4 49.7 -61.6 -40.2 11.7 -10.2 43.2 4 4 A Y H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.886 110.9 46.3 -69.4 -43.0 13.8 -13.1 41.9 5 5 A L H X S+ 0 0 22 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.866 109.8 56.4 -71.0 -32.5 11.0 -15.1 40.3 6 6 A E H X S+ 0 0 110 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.916 107.9 48.3 -62.0 -41.6 9.7 -11.8 38.7 7 7 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.919 109.7 51.2 -64.1 -45.7 13.2 -11.3 37.1 8 8 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.923 112.5 46.8 -59.0 -41.5 13.2 -15.0 35.8 9 9 A Q H X S+ 0 0 76 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.908 110.3 53.3 -63.1 -42.8 9.8 -14.5 34.2 10 10 A K H X S+ 0 0 54 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.868 108.4 49.6 -60.4 -41.2 10.9 -11.1 32.7 11 11 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.926 112.3 48.4 -66.3 -42.2 13.9 -12.8 31.1 12 12 A L H < S+ 0 0 35 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.935 119.9 37.9 -63.3 -41.6 11.6 -15.5 29.7 13 13 A D H < S+ 0 0 113 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.826 133.1 21.6 -80.8 -29.9 9.1 -12.9 28.4 14 14 A E H < S+ 0 0 124 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.451 89.1 119.5-118.1 -4.9 11.5 -10.2 27.2 15 15 A G < - 0 0 19 -4,-2.4 2,-0.4 -5,-0.3 14,-0.2 -0.374 53.2-137.1 -73.5 145.9 14.9 -11.8 26.6 16 16 A T E -A 28 0A 95 12,-2.5 12,-2.3 -2,-0.1 2,-0.3 -0.795 26.7-112.5 -95.8 137.8 16.6 -11.8 23.3 17 17 A Q E +A 27 0A 172 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.577 48.9 176.5 -69.3 132.6 18.2 -15.0 22.2 18 18 A K E -A 26 0A 96 8,-2.6 8,-2.6 -2,-0.3 2,-0.2 -0.992 29.8-125.3-144.8 142.4 21.9 -14.2 22.2 19 19 A N - 0 0 147 -2,-0.3 2,-0.3 6,-0.2 5,-0.0 -0.501 34.7-165.2 -80.5 163.2 25.1 -16.2 21.6 20 20 A D > - 0 0 38 -2,-0.2 3,-1.8 1,-0.1 5,-0.0 -0.964 35.2 -92.5-147.0 169.9 27.7 -16.1 24.3 21 21 A R T 3 S+ 0 0 167 -2,-0.3 -1,-0.1 1,-0.3 243,-0.0 0.759 119.9 51.5 -46.9 -41.9 31.3 -16.9 25.1 22 22 A T T 3 S- 0 0 31 241,-0.1 -1,-0.3 1,-0.1 242,-0.2 0.573 107.0-122.7 -81.0 -13.4 30.6 -20.5 26.3 23 23 A G S < S+ 0 0 66 -3,-1.8 -2,-0.1 240,-0.1 -1,-0.1 0.538 82.5 111.7 83.3 6.9 28.7 -21.4 23.2 24 24 A T S S- 0 0 38 1,-0.0 -3,-0.1 186,-0.0 -5,-0.1 0.867 72.0-131.2 -81.4 -33.2 25.6 -22.3 25.2 25 25 A G - 0 0 15 185,-0.1 185,-2.6 184,-0.1 186,-0.3 0.190 22.2-148.3 86.8 143.6 23.2 -19.6 24.0 26 26 A T E -AB 18 209A 11 -8,-2.6 -8,-2.6 183,-0.3 2,-0.5 -0.926 20.9-126.8-139.7 161.4 21.2 -17.4 26.4 27 27 A L E -AB 17 208A 31 181,-2.3 181,-2.5 -2,-0.3 2,-0.4 -0.980 49.8-172.4-102.7 128.7 17.9 -15.4 26.7 28 28 A S E -AB 16 207A 10 -12,-2.3 -12,-2.5 -2,-0.5 2,-0.3 -0.940 28.9-178.3-137.2 141.3 19.2 -12.0 27.7 29 29 A I E - B 0 206A 17 177,-2.3 177,-2.6 -2,-0.4 2,-0.5 -0.894 23.0-136.2-125.8 164.5 18.0 -8.6 28.9 30 30 A F E + B 0 205A 162 -2,-0.3 175,-0.2 1,-0.2 174,-0.1 -0.973 69.0 16.1-126.0 122.0 20.2 -5.6 29.6 31 31 A G E + 0 0 40 173,-1.9 2,-0.3 -2,-0.5 -1,-0.2 0.774 62.1 160.4 89.3 103.8 19.7 -3.4 32.7 32 32 A H E - B 0 203A 37 171,-1.3 171,-2.8 -3,-0.1 2,-0.4 -0.987 15.6-165.2-150.3 150.7 17.6 -4.5 35.7 33 33 A Q E + B 0 202A 110 -2,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.999 8.8 173.0-141.3 137.2 17.5 -3.3 39.3 34 34 A M E - B 0 201A 14 167,-2.3 167,-2.9 -2,-0.4 2,-0.4 -0.971 16.2-147.0-141.0 156.7 15.9 -4.9 42.4 35 35 A R E - B 0 200A 131 -2,-0.3 2,-0.5 165,-0.2 165,-0.2 -0.970 4.6-163.9-129.4 138.9 16.0 -3.9 46.1 36 36 A F E - B 0 199A 7 163,-2.7 163,-2.7 -2,-0.4 2,-0.8 -0.987 15.0-145.5-125.1 116.3 16.0 -6.1 49.2 37 37 A N E > - B 0 198A 64 -2,-0.5 3,-1.6 161,-0.2 4,-0.3 -0.770 11.8-155.5 -78.6 114.0 15.2 -4.5 52.5 38 38 A L G > S+ 0 0 6 159,-2.5 3,-0.9 -2,-0.8 -1,-0.2 0.718 87.8 69.3 -71.1 -16.3 17.4 -6.6 54.8 39 39 A Q G 3 S+ 0 0 102 158,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.739 92.3 62.2 -67.5 -24.0 15.2 -5.8 57.8 40 40 A D G < S- 0 0 109 -3,-1.6 -1,-0.2 1,-0.3 2,-0.2 0.688 123.9 -64.4 -80.3 -13.5 12.5 -8.0 56.1 41 41 A G < - 0 0 6 -3,-0.9 -1,-0.3 -4,-0.3 188,-0.2 -0.750 62.9 -63.1 145.1 162.5 14.6 -11.1 56.2 42 42 A F - 0 0 4 186,-2.7 2,-2.2 -2,-0.2 137,-0.1 -0.687 51.7-127.6 -79.5 123.1 17.8 -12.6 54.8 43 43 A P + 0 0 1 0, 0.0 2,-0.5 0, 0.0 139,-0.1 -0.406 54.0 144.6 -78.8 70.4 17.4 -12.8 50.9 44 44 A L - 0 0 0 -2,-2.2 132,-0.1 184,-0.1 -2,-0.0 -0.949 57.8-107.2-107.0 125.3 18.2 -16.5 50.4 45 45 A V - 0 0 0 -2,-0.5 5,-0.4 130,-0.2 3,-0.1 -0.285 33.7-176.7 -53.1 130.6 16.2 -18.1 47.6 46 46 A T + 0 0 0 179,-0.2 209,-3.0 1,-0.1 -1,-0.1 0.623 69.0 77.8-106.7 -16.7 13.6 -20.5 49.0 47 47 A T S S+ 0 0 0 207,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.549 111.3 20.4 -77.6 -1.2 12.1 -21.9 45.8 48 48 A K S S- 0 0 13 -3,-0.1 2,-0.4 207,-0.1 209,-0.3 -0.944 96.1-100.4-151.6 150.3 15.2 -24.2 45.5 49 49 A R - 0 0 141 206,-0.4 2,-0.3 -2,-0.3 209,-0.3 -0.620 36.1-153.2 -72.7 124.3 17.7 -25.2 48.2 50 50 A C - 0 0 4 -2,-0.4 2,-1.4 -5,-0.4 3,-0.1 -0.786 19.8-119.2 -97.0 140.4 20.9 -23.2 48.1 51 51 A H >> - 0 0 101 -2,-0.3 4,-1.5 1,-0.2 3,-0.8 -0.629 29.2-175.1 -81.1 91.0 24.2 -24.6 49.4 52 52 A L H 3> S+ 0 0 34 -2,-1.4 4,-2.9 1,-0.2 5,-0.3 0.844 77.5 66.2 -55.7 -37.7 25.0 -22.1 52.3 53 53 A R H 3> S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 104.6 43.9 -52.2 -44.6 28.3 -23.8 52.9 54 54 A S H <> S+ 0 0 6 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.917 113.5 51.0 -69.2 -41.7 29.6 -22.6 49.4 55 55 A I H X S+ 0 0 1 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.935 113.9 42.4 -62.2 -48.2 28.2 -19.1 49.8 56 56 A I H X S+ 0 0 6 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.955 115.7 46.8 -69.9 -47.5 29.7 -18.4 53.2 57 57 A H H X S+ 0 0 6 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.870 108.5 56.0 -63.7 -35.8 33.2 -19.9 52.5 58 58 A E H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.937 110.0 46.7 -61.8 -41.6 33.4 -18.1 49.1 59 59 A L H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.936 112.1 49.0 -66.1 -41.8 32.9 -14.8 50.9 60 60 A L H X S+ 0 0 13 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.891 110.5 52.4 -63.9 -35.4 35.4 -15.6 53.7 61 61 A W H X>S+ 0 0 1 -4,-2.4 5,-1.6 -5,-0.2 4,-0.5 0.930 108.2 50.2 -64.5 -44.8 37.9 -16.6 51.0 62 62 A F H ><5S+ 0 0 1 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.946 108.6 52.6 -59.1 -45.4 37.4 -13.2 49.2 63 63 A L H 3<5S+ 0 0 4 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 102.5 58.9 -67.0 -23.6 37.9 -11.3 52.5 64 64 A Q H 3<5S- 0 0 91 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.606 112.0-120.9 -74.0 -14.3 41.2 -13.2 53.0 65 65 A G T <<5 + 0 0 24 -3,-1.9 2,-0.2 -4,-0.5 -3,-0.2 0.679 62.5 151.2 80.7 20.4 42.5 -11.8 49.7 66 66 A D < + 0 0 44 -5,-1.6 29,-0.4 29,-0.1 -1,-0.3 -0.569 28.7 170.7 -93.2 141.3 43.0 -15.3 48.5 67 67 A T + 0 0 25 -2,-0.2 23,-1.4 28,-0.1 2,-0.4 0.198 55.1 92.2-128.8 8.6 42.7 -16.4 44.8 68 68 A N B > S-F 89 0B 36 21,-0.2 3,-0.6 22,-0.1 4,-0.3 -0.884 72.5-137.6-103.5 140.6 43.9 -20.0 45.1 69 69 A I T 3> S+ 0 0 10 19,-2.5 4,-2.5 -2,-0.4 5,-0.2 0.425 79.1 99.7 -83.2 2.0 41.2 -22.6 45.6 70 70 A A H 3> S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 82.0 52.2 -53.6 -44.5 43.0 -24.6 48.2 71 71 A Y H <> S+ 0 0 37 -3,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.905 110.3 49.2 -57.2 -44.3 41.1 -23.0 51.1 72 72 A L H 4>S+ 0 0 0 -4,-0.3 5,-2.6 1,-0.2 3,-0.3 0.927 111.1 49.4 -62.7 -43.0 37.8 -23.8 49.3 73 73 A H H ><5S+ 0 0 87 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.918 104.9 57.2 -63.6 -40.4 39.0 -27.4 48.8 74 74 A E H 3<5S+ 0 0 145 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.840 112.9 43.5 -58.1 -31.8 39.9 -27.7 52.5 75 75 A N T 3<5S- 0 0 38 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.218 118.8-110.3-102.7 21.1 36.3 -26.7 53.2 76 76 A N T < 5S+ 0 0 125 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.847 70.3 139.4 56.8 40.8 34.8 -29.0 50.6 77 77 A V < + 0 0 0 -5,-2.6 -1,-0.2 -8,-0.2 3,-0.2 -0.964 21.6 172.0-117.2 122.9 33.6 -26.2 48.2 78 78 A T > + 0 0 85 -2,-0.5 3,-1.5 1,-0.1 4,-0.3 0.315 40.9 112.7-115.3 8.4 34.2 -27.0 44.5 79 79 A I T 3 S+ 0 0 11 1,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.637 82.4 42.7 -62.2 -19.5 32.4 -24.1 42.8 80 80 A W T >> S+ 0 0 5 -3,-0.2 3,-1.5 1,-0.1 4,-0.8 0.411 83.5 103.2-106.9 2.9 35.6 -22.5 41.3 81 81 A D G X4 S+ 0 0 58 -3,-1.5 3,-0.9 1,-0.3 -2,-0.1 0.845 71.3 60.0 -55.3 -39.5 37.3 -25.8 40.2 82 82 A E G 34 S+ 0 0 93 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.680 109.4 42.0 -70.5 -15.4 36.6 -25.5 36.5 83 83 A W G <4 S+ 0 0 27 -3,-1.5 -1,-0.3 5,-0.1 -2,-0.2 0.531 91.3 100.5-107.5 -9.2 38.5 -22.2 36.1 84 84 A A << - 0 0 22 -3,-0.9 6,-0.2 -4,-0.8 -16,-0.1 -0.455 67.4-126.4 -79.9 151.7 41.5 -22.8 38.2 85 85 A D > - 0 0 66 4,-2.6 3,-2.8 -2,-0.1 -1,-0.1 -0.224 43.0 -77.2 -82.5-174.7 44.9 -23.8 36.7 86 86 A E T 3 S+ 0 0 169 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.798 134.4 48.8 -51.1 -36.7 47.1 -26.8 37.5 87 87 A N T 3 S- 0 0 111 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.350 121.8-106.7 -87.7 9.2 48.3 -25.1 40.7 88 88 A G S < S+ 0 0 12 -3,-2.8 -19,-2.5 1,-0.3 2,-0.2 0.599 73.1 144.9 76.6 13.2 44.7 -24.2 41.7 89 89 A D B -F 68 0B 59 -21,-0.2 -4,-2.6 1,-0.1 -1,-0.3 -0.593 36.8-174.6 -89.8 147.3 45.2 -20.5 40.9 90 90 A L - 0 0 4 -23,-1.4 52,-2.8 1,-0.4 53,-0.3 0.387 44.1-119.7-112.2 -4.6 42.7 -18.2 39.4 91 91 A G - 0 0 23 50,-0.2 2,-2.8 -24,-0.2 -1,-0.4 -0.322 63.5 -29.9 82.9-176.2 44.9 -15.2 38.9 92 92 A P S S+ 0 0 15 0, 0.0 49,-0.1 0, 0.0 -1,-0.1 -0.278 89.6 146.7 -78.4 60.7 44.3 -11.8 40.6 93 93 A V >> - 0 0 2 -2,-2.8 4,-1.5 47,-0.1 3,-1.1 0.050 62.8 -40.0 -82.2-165.0 40.5 -12.1 40.8 94 94 A Y H 3> S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.708 131.5 47.4 -26.0 -62.5 38.1 -10.7 43.5 95 95 A G H 3> S+ 0 0 1 -29,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.850 112.6 49.0 -58.8 -44.2 40.0 -11.3 46.7 96 96 A K H <> S+ 0 0 44 -3,-1.1 4,-2.6 -5,-0.2 -1,-0.3 0.900 114.1 44.7 -64.1 -42.3 43.3 -9.9 45.4 97 97 A Q H X S+ 0 0 0 -4,-1.5 4,-0.7 -3,-0.3 14,-0.4 0.899 113.9 51.3 -70.7 -36.0 41.7 -6.7 44.1 98 98 A W H < S+ 0 0 2 -4,-2.7 13,-1.5 -5,-0.2 14,-1.2 0.905 125.9 23.2 -64.9 -41.8 39.6 -6.2 47.3 99 99 A R H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.674 136.9 19.8-102.4 -18.9 42.6 -6.6 49.6 100 100 A A H < + 0 0 27 -4,-2.6 10,-0.2 -5,-0.2 -2,-0.2 -0.228 63.0 178.4-154.6 54.1 45.7 -5.7 47.6 101 101 A W E < -G 109 0C 66 8,-2.3 8,-2.0 -4,-0.7 2,-0.3 -0.431 33.3-128.5 -59.9 118.8 44.9 -3.6 44.4 102 102 A P E -G 108 0C 31 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.566 19.6-145.7 -77.1 131.4 48.4 -2.9 42.9 103 103 A T > - 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