==== 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 19-APR-00 1EV5 . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.PHAN,E.MAHDAVIAN,M.C.NIVENS,W.MINOR,S.BERGER,H.T.SPENCER, . 264 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 67.4 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 . 42 15.9 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 . 3 1.1 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 . 23 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 1 0 0 0 0 1 0 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 1 2 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,-2.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 154.5 21.2 116.1 99.6 2 2 A K H > + 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.909 360.0 45.9 -48.3 -54.3 23.6 119.0 99.7 3 3 A Q H > S+ 0 0 52 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.876 114.5 48.6 -59.1 -41.0 20.9 121.6 100.0 4 4 A Y H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 111.8 47.6 -67.3 -45.6 19.0 119.7 102.6 5 5 A L H X S+ 0 0 20 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.870 108.8 54.7 -65.2 -36.5 22.1 119.0 104.8 6 6 A E H X S+ 0 0 115 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.861 107.4 51.0 -66.8 -32.5 23.1 122.7 104.6 7 7 A L H X S+ 0 0 1 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.925 107.7 52.1 -69.5 -43.0 19.7 123.7 105.9 8 8 A M H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.933 111.7 47.3 -56.4 -45.4 19.9 121.3 108.8 9 9 A Q H X S+ 0 0 78 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.863 109.3 54.1 -64.4 -37.2 23.3 122.8 109.7 10 10 A K H X S+ 0 0 60 -4,-1.9 4,-3.1 2,-0.2 5,-0.5 0.915 108.3 48.4 -64.4 -43.4 21.9 126.3 109.4 11 11 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.917 113.9 48.0 -62.9 -41.4 19.1 125.6 111.8 12 12 A L H < S+ 0 0 34 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.930 117.7 41.4 -63.2 -45.1 21.6 124.1 114.2 13 13 A D H < S+ 0 0 116 -4,-2.9 -2,-0.2 1,-0.1 -3,-0.2 0.891 134.6 11.9 -72.2 -44.6 24.0 127.1 113.8 14 14 A E H < S+ 0 0 120 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.427 90.6 121.5-118.9 2.5 21.5 130.0 113.9 15 15 A G < - 0 0 17 -4,-1.8 2,-0.3 -5,-0.5 14,-0.2 -0.303 55.1-132.8 -65.4 150.2 18.2 128.6 115.0 16 16 A T E -A 28 0A 84 12,-2.6 12,-2.1 1,-0.0 2,-0.3 -0.802 20.4-111.7-104.6 148.1 16.7 130.1 118.1 17 17 A Q E +A 27 0A 117 -2,-0.3 10,-0.2 10,-0.2 2,-0.2 -0.621 60.1 113.7 -82.8 134.0 15.2 128.0 121.0 18 18 A K E -A 26 0A 90 8,-2.2 8,-1.4 -2,-0.3 2,-0.3 -0.705 53.9 -84.5-162.2-145.6 11.5 128.1 121.5 19 19 A N E -A 25 0A 106 6,-0.3 6,-0.2 -2,-0.2 5,-0.1 -0.919 23.2-134.9-142.1 167.5 8.4 125.8 121.3 20 20 A D - 0 0 50 4,-1.0 3,-0.4 -2,-0.3 6,-0.1 -0.184 67.1 -34.8-106.1-160.3 5.8 124.5 118.9 21 21 A R S S- 0 0 207 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.761 121.5 -47.7 -22.7 -57.8 2.0 124.0 118.9 22 22 A T S S+ 0 0 119 2,-0.1 -1,-0.2 3,-0.0 2,-0.1 -0.095 119.9 30.0 173.9 71.0 2.2 123.2 122.6 23 23 A G S S+ 0 0 50 -3,-0.4 2,-0.1 1,-0.3 241,-0.0 -0.527 85.9 57.4 177.2-105.0 4.9 120.7 123.6 24 24 A T S S- 0 0 31 -2,-0.1 -4,-1.0 -5,-0.1 -1,-0.3 -0.347 72.8-123.1 -63.9 132.3 8.3 119.7 122.3 25 25 A G E -A 19 0A 13 -6,-0.2 185,-2.4 -2,-0.1 186,-0.3 -0.221 30.0-161.1 -70.2 164.9 10.8 122.6 122.0 26 26 A T E -AB 18 209A 4 -8,-1.4 -8,-2.2 183,-0.2 2,-0.5 -0.944 24.3-132.0-145.0 165.0 12.5 123.5 118.7 27 27 A L E +AB 17 208A 29 181,-2.2 181,-2.2 -2,-0.3 2,-0.3 -0.984 44.7 177.8-113.5 126.2 15.4 125.3 117.2 28 28 A S E -AB 16 207A 8 -12,-2.1 -12,-2.6 -2,-0.5 2,-0.3 -0.975 28.3-169.4-142.1 154.6 14.0 127.5 114.4 29 29 A I E - B 0 206A 17 177,-2.4 177,-2.3 -2,-0.3 2,-0.5 -0.837 22.8-133.1-126.0 163.2 14.9 130.0 111.8 30 30 A F E S+ B 0 205A 163 -2,-0.3 175,-0.2 1,-0.2 174,-0.2 -0.977 71.4 17.8-126.5 121.0 12.5 132.2 109.7 31 31 A G E + 0 0 42 173,-2.0 2,-0.3 -2,-0.5 -1,-0.2 0.702 64.0 162.3 89.5 108.3 12.8 132.5 106.0 32 32 A H E - B 0 203A 38 171,-1.4 171,-2.4 -3,-0.1 2,-0.3 -0.982 13.9-169.7-152.8 154.4 14.9 130.1 103.9 33 33 A Q E + B 0 202A 107 -2,-0.3 2,-0.3 169,-0.2 169,-0.2 -0.982 7.4 171.0-151.2 137.4 15.1 129.2 100.2 34 34 A M E - B 0 201A 15 167,-2.0 167,-2.7 -2,-0.3 2,-0.4 -0.961 18.4-140.4-143.0 159.8 16.9 126.5 98.3 35 35 A R E - B 0 200A 128 -2,-0.3 2,-0.5 165,-0.2 165,-0.2 -0.967 5.9-164.1-128.8 141.2 16.8 125.3 94.7 36 36 A F E - B 0 199A 4 163,-2.3 163,-2.3 -2,-0.4 2,-1.0 -0.975 15.1-146.6-124.5 114.8 16.9 121.9 93.1 37 37 A N E > - B 0 198A 55 -2,-0.5 3,-2.1 161,-0.2 161,-0.2 -0.736 10.9-157.2 -79.5 108.5 17.7 121.6 89.4 38 38 A L G > S+ 0 0 7 159,-2.3 3,-1.0 -2,-1.0 -1,-0.2 0.656 87.8 70.2 -64.1 -13.9 15.5 118.6 88.5 39 39 A Q G 3 S+ 0 0 89 158,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.708 92.2 60.4 -73.9 -19.0 17.8 118.0 85.5 40 40 A D G < S- 0 0 120 -3,-2.1 187,-0.3 1,-0.3 -1,-0.2 0.477 125.3 -68.2 -86.7 -2.5 20.5 116.9 88.0 41 41 A G < - 0 0 15 -3,-1.0 -1,-0.3 -4,-0.2 188,-0.2 -0.543 62.8 -58.3 133.1 161.1 18.3 114.1 89.4 42 42 A F - 0 0 2 186,-2.8 2,-2.4 -2,-0.2 137,-0.1 -0.628 52.6-125.0 -77.3 123.1 15.2 113.4 91.4 43 43 A P + 0 0 1 0, 0.0 2,-0.6 0, 0.0 139,-0.1 -0.317 57.0 140.4 -69.3 63.6 15.5 115.2 94.8 44 44 A L - 0 0 2 -2,-2.4 132,-0.1 184,-0.1 6,-0.1 -0.938 60.3-108.7-106.4 117.7 14.8 112.2 97.2 45 45 A V - 0 0 0 -2,-0.6 5,-0.3 130,-0.2 3,-0.1 -0.096 30.9-172.9 -48.2 139.3 17.2 112.4 100.2 46 46 A T S S+ 0 0 0 179,-0.1 209,-3.1 3,-0.1 -1,-0.1 0.539 70.7 80.4-110.1 -14.7 19.9 109.8 100.2 47 47 A T S S+ 0 0 0 207,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.414 109.6 19.2 -76.5 4.2 21.4 110.4 103.7 48 48 A K S S- 0 0 8 207,-0.1 2,-0.3 -3,-0.1 209,-0.3 -0.904 99.4 -92.9-165.5 142.8 18.5 108.3 105.1 49 49 A R + 0 0 109 206,-0.3 209,-0.3 -2,-0.3 2,-0.3 -0.483 46.7 176.9 -70.0 126.7 16.2 105.8 103.4 50 50 A X - 0 0 40 -5,-0.3 2,-0.3 -2,-0.3 -6,-0.0 -0.834 16.2-146.9-123.6 161.3 13.0 107.3 102.1 51 51 A H - 0 0 123 -2,-0.3 4,-0.3 1,-0.1 3,-0.1 -0.946 8.9-153.7-129.1 150.3 10.1 105.7 100.2 52 52 A L S > S+ 0 0 22 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 0.528 71.1 97.1-100.3 -8.0 7.8 107.2 97.5 53 53 A R H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.915 91.6 35.1 -47.2 -59.2 4.8 105.0 98.0 54 54 A S H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.881 116.3 56.4 -66.0 -38.0 2.8 107.3 100.3 55 55 A I H > S+ 0 0 0 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.924 109.5 45.1 -58.7 -48.0 4.1 110.4 98.5 56 56 A I H X S+ 0 0 9 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.945 114.7 47.4 -63.1 -49.4 2.8 109.2 95.1 57 57 A H H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.911 111.8 50.8 -59.9 -43.2 -0.6 108.0 96.5 58 58 A E H X S+ 0 0 14 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.905 110.3 49.1 -63.1 -40.8 -1.1 111.3 98.4 59 59 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.901 110.8 48.4 -66.7 -41.2 -0.4 113.4 95.3 60 60 A L H X S+ 0 0 17 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.895 112.6 51.4 -63.9 -37.4 -2.8 111.4 93.1 61 61 A W H X S+ 0 0 10 -4,-2.1 4,-0.9 -5,-0.2 5,-0.4 0.902 108.1 50.4 -64.5 -44.4 -5.3 111.8 95.9 62 62 A F H >< S+ 0 0 2 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.941 108.8 52.8 -58.6 -48.1 -4.7 115.6 96.0 63 63 A L H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.748 103.5 56.9 -61.5 -26.3 -5.2 115.9 92.2 64 64 A Q H 3< S- 0 0 110 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.721 99.3-139.1 -78.7 -21.9 -8.5 114.0 92.4 65 65 A G << + 0 0 17 -3,-1.1 2,-0.6 -4,-0.9 -3,-0.1 0.330 58.4 127.3 84.4 -9.5 -9.9 116.6 94.8 66 66 A D - 0 0 104 -5,-0.4 -1,-0.2 1,-0.1 -2,-0.1 -0.742 41.9-163.8 -84.9 123.1 -11.8 114.3 97.2 67 67 A T + 0 0 19 -2,-0.6 23,-0.5 -3,-0.1 2,-0.4 0.287 56.3 105.9 -90.8 9.7 -10.7 115.0 100.8 68 68 A N B > S-F 89 0B 37 21,-0.2 3,-0.6 1,-0.1 4,-0.3 -0.734 71.6-135.3 -87.1 140.7 -12.0 111.7 102.2 69 69 A I T 3> S+ 0 0 19 19,-2.6 4,-3.1 -2,-0.4 5,-0.2 0.340 74.5 110.4 -79.8 9.1 -9.2 109.3 103.0 70 70 A A H 3> S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 79.8 48.0 -48.4 -49.7 -11.0 106.3 101.5 71 71 A Y H <> S+ 0 0 75 -3,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.922 112.9 47.8 -59.2 -46.1 -8.5 106.1 98.6 72 72 A L H >4>S+ 0 0 0 -4,-0.3 5,-3.2 1,-0.2 3,-0.6 0.920 111.9 50.6 -61.4 -43.8 -5.5 106.4 101.0 73 73 A H H ><5S+ 0 0 123 -4,-3.1 3,-1.8 1,-0.2 -1,-0.2 0.895 104.9 56.5 -60.7 -43.1 -7.0 103.7 103.2 74 74 A E H 3<5S+ 0 0 144 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.778 113.1 42.1 -60.0 -27.6 -7.6 101.3 100.3 75 75 A N T <<5S- 0 0 54 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.167 117.3-110.8-106.3 16.1 -3.9 101.6 99.5 76 76 A N T < 5 + 0 0 119 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.827 65.9 149.0 58.6 35.6 -2.7 101.4 103.1 77 77 A V < + 0 0 0 -5,-3.2 -1,-0.2 -8,-0.2 3,-0.2 -0.909 15.5 171.4-101.2 114.0 -1.5 105.0 103.2 78 78 A T > + 0 0 85 -2,-0.7 3,-1.4 1,-0.1 4,-0.4 0.299 40.1 108.7-109.3 8.2 -2.0 106.1 106.8 79 79 A I T 3 S+ 0 0 70 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.699 87.1 43.2 -61.6 -19.4 -0.3 109.5 107.0 80 80 A W T >> S+ 0 0 15 -3,-0.2 3,-1.3 1,-0.1 4,-1.3 0.471 85.5 96.4-103.9 -2.6 -3.7 111.3 107.3 81 81 A D T <4 S+ 0 0 67 -3,-1.4 3,-0.4 1,-0.3 -2,-0.1 0.863 76.2 60.7 -53.6 -42.9 -5.3 108.9 109.7 82 82 A E T 34 S+ 0 0 149 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.779 113.0 37.9 -58.0 -27.5 -4.4 111.0 112.8 83 83 A W T <4 S+ 0 0 79 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.630 93.9 96.3-101.6 -16.3 -6.4 113.9 111.4 84 84 A A < - 0 0 20 -4,-1.3 6,-0.2 -3,-0.4 -16,-0.0 -0.514 66.2-133.4 -78.9 142.3 -9.4 112.2 109.8 85 85 A D > - 0 0 66 4,-2.2 3,-1.5 -2,-0.2 -1,-0.1 -0.007 43.8 -72.9 -79.6-168.1 -12.7 111.8 111.8 86 86 A E T 3 S+ 0 0 177 1,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.783 134.1 47.3 -59.0 -31.4 -14.9 108.7 112.1 87 87 A N T 3 S- 0 0 119 2,-0.1 -1,-0.3 -18,-0.0 -3,-0.0 0.463 120.3-105.8 -91.1 -1.1 -16.1 109.0 108.6 88 88 A G S < S+ 0 0 9 -3,-1.5 -19,-2.6 1,-0.3 2,-0.3 0.636 72.7 144.4 86.9 15.2 -12.6 109.5 107.1 89 89 A D B -F 68 0B 62 -21,-0.2 -4,-2.2 1,-0.1 -1,-0.3 -0.640 31.8-179.9 -92.4 147.6 -13.2 113.2 106.5 90 90 A L - 0 0 5 -23,-0.5 52,-2.4 1,-0.4 53,-0.3 0.372 43.2-119.1-120.7 -3.6 -10.6 116.0 106.8 91 91 A G - 0 0 24 50,-0.2 2,-2.1 1,-0.1 -1,-0.4 -0.385 65.8 -29.6 87.7-175.0 -12.6 119.0 105.8 92 92 A P S S+ 0 0 12 0, 0.0 49,-0.2 0, 0.0 -1,-0.1 -0.305 87.2 152.0 -77.4 59.1 -11.7 121.2 102.8 93 93 A V >> - 0 0 2 -2,-2.1 3,-1.6 47,-0.1 4,-1.2 -0.026 61.7 -44.9 -76.9-173.3 -7.9 120.6 102.9 94 94 A Y H 3> S+ 0 0 15 1,-0.3 4,-2.9 2,-0.2 3,-0.4 0.645 132.1 48.0 -16.3 -72.1 -5.5 120.7 100.0 95 95 A G H 3> S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.851 109.7 53.0 -49.0 -44.1 -7.3 118.7 97.3 96 96 A K H <> S+ 0 0 53 -3,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.904 114.4 41.8 -61.3 -42.4 -10.6 120.6 97.8 97 97 A Q H X S+ 0 0 0 -4,-1.2 4,-0.8 -3,-0.4 14,-0.4 0.886 114.0 52.6 -73.3 -38.4 -8.9 123.9 97.3 98 98 A W H < S+ 0 0 1 -4,-2.9 14,-1.4 -5,-0.2 13,-1.2 0.889 127.9 19.1 -61.7 -42.0 -6.7 122.7 94.4 99 99 A R H < S+ 0 0 51 -4,-2.5 -2,-0.2 11,-0.2 -3,-0.2 0.660 138.7 20.4-106.3 -20.8 -9.7 121.4 92.5 100 100 A A H < + 0 0 22 -4,-2.6 10,-0.2 -5,-0.3 -2,-0.2 -0.207 63.3 178.9-149.5 51.0 -12.8 123.1 93.9 101 101 A W E < -G 109 0C 66 8,-2.1 8,-2.8 -4,-0.8 2,-0.2 -0.397 33.7-127.8 -56.3 117.5 -12.0 126.3 95.7 102 102 A P E -G 108 0C 32 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.515 23.3-158.8 -76.8 136.1 -15.5 127.5 96.8 103 103 A T > - 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