==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JAN-12 4DIE . COMPND 2 MOLECULE: CYTIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 818 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 3.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 54 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 5 2 0 0 9 6 1 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 12 4 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 . 0 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 4 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 S 0 0 131 0, 0.0 2,-0.3 0, 0.0 138,-0.1 0.000 360.0 360.0 360.0 158.3 -18.9 57.5 -4.8 2 0 A M + 0 0 73 136,-0.1 121,-2.5 137,-0.1 2,-0.5 -0.445 360.0 179.1 -89.2 124.9 -15.8 55.3 -4.9 3 1 A V E -a 123 0A 29 -2,-0.3 137,-1.7 119,-0.2 136,-1.6 -0.966 6.1-169.6-120.3 118.8 -15.7 51.7 -6.0 4 2 A V E -ab 124 140A 2 119,-2.7 121,-3.0 -2,-0.5 2,-0.5 -0.960 6.1-159.2-111.9 118.2 -12.4 49.8 -6.1 5 3 A A E -ab 125 141A 0 135,-2.4 137,-2.8 -2,-0.5 2,-0.5 -0.851 5.3-167.7 -94.5 127.8 -12.4 46.4 -7.8 6 4 A V E +ab 126 142A 0 119,-2.4 121,-2.6 -2,-0.5 2,-0.2 -0.930 15.7 165.6-121.8 112.1 -9.6 44.0 -6.8 7 5 A D E +ab 127 143A 9 135,-2.9 137,-2.8 -2,-0.5 121,-0.2 -0.725 11.0 110.4-118.7 165.2 -9.1 40.9 -8.9 8 6 A G - 0 0 0 119,-0.7 137,-0.2 -2,-0.2 -2,-0.0 -0.850 59.7 -62.9 152.2 174.0 -6.4 38.3 -9.4 9 7 A P - 0 0 13 0, 0.0 3,-0.5 0, 0.0 5,-0.3 -0.195 60.7 -86.4 -78.6-179.7 -5.5 34.7 -8.8 10 8 A S S S+ 0 0 87 1,-0.2 141,-0.0 2,-0.1 0, 0.0 -0.377 97.6 44.4 -84.2 163.6 -5.2 33.0 -5.5 11 9 A G S S+ 0 0 41 -2,-0.1 -1,-0.2 143,-0.1 143,-0.2 0.508 80.3 98.7 85.9 8.2 -2.2 32.8 -3.2 12 10 A T S S- 0 0 25 -3,-0.5 -2,-0.1 132,-0.1 133,-0.1 0.449 99.2-106.5-100.6 -3.1 -1.1 36.4 -3.4 13 11 A G > + 0 0 39 3,-0.1 4,-2.4 4,-0.0 3,-0.4 0.590 68.1 151.8 83.0 13.7 -2.7 37.5 -0.1 14 12 A K H > + 0 0 22 -5,-0.3 4,-2.8 1,-0.2 5,-0.2 0.832 66.7 51.2 -41.6 -50.2 -5.3 39.4 -2.2 15 13 A S H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 111.0 45.5 -65.2 -44.0 -8.0 39.1 0.5 16 14 A S H > S+ 0 0 59 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.905 114.7 49.4 -63.2 -40.8 -5.9 40.4 3.3 17 15 A V H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.922 111.2 48.7 -64.8 -44.6 -4.7 43.3 1.2 18 16 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.920 110.7 51.4 -62.9 -46.6 -8.2 44.2 0.0 19 17 A K H X S+ 0 0 48 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.938 113.9 43.4 -48.9 -51.9 -9.5 44.1 3.6 20 18 A E H X S+ 0 0 47 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.882 110.3 54.8 -74.2 -36.4 -6.7 46.5 4.8 21 19 A L H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 6,-0.3 0.908 108.3 51.4 -54.4 -43.0 -7.1 48.7 1.7 22 20 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-0.4 0.965 108.8 49.5 -61.5 -51.5 -10.8 49.1 2.7 23 21 A R H ><5S+ 0 0 86 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.901 112.3 48.7 -51.0 -47.6 -9.9 50.0 6.3 24 22 A Q H 3<5S+ 0 0 95 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.815 112.8 45.9 -70.2 -30.8 -7.4 52.6 5.1 25 23 A L T 3<5S- 0 0 35 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.391 110.1-123.1 -84.6 4.6 -9.9 54.2 2.6 26 24 A G T < 5S+ 0 0 70 -3,-1.2 -3,-0.2 -4,-0.4 96,-0.1 0.749 70.4 137.5 54.3 27.0 -12.5 54.1 5.4 27 25 A A < - 0 0 12 -5,-2.5 96,-0.3 -6,-0.3 -1,-0.2 -0.338 58.1 -99.4 -98.9 174.9 -14.5 52.0 2.8 28 26 A S E -c 123 0A 28 94,-3.1 96,-3.3 92,-0.3 2,-0.4 -0.490 32.5-138.0 -87.7 164.1 -16.6 48.9 2.9 29 27 A Y E -c 124 0A 0 40,-3.1 2,-0.5 94,-0.2 96,-0.2 -0.988 13.2-169.3-131.7 134.2 -15.4 45.5 1.9 30 28 A L E -c 125 0A 0 94,-2.3 96,-2.7 -2,-0.4 2,-1.0 -0.945 7.0-161.8-128.1 112.9 -17.0 42.7 -0.1 31 29 A D E >> +c 126 0A 10 -2,-0.5 4,-0.9 37,-0.4 3,-0.5 -0.764 12.1 178.1 -93.1 93.3 -15.5 39.2 -0.3 32 30 A T H 3> S+ 0 0 3 94,-1.8 4,-1.7 -2,-1.0 3,-0.4 0.830 75.2 61.9 -71.0 -33.0 -17.1 37.7 -3.4 33 31 A G H 3> S+ 0 0 30 93,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.834 99.2 58.3 -58.6 -31.4 -15.3 34.3 -3.2 34 32 A A H <> S+ 0 0 7 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.889 101.0 55.7 -68.5 -32.7 -16.9 33.8 0.2 35 33 A M H X S+ 0 0 1 -4,-0.9 4,-2.1 -3,-0.4 -2,-0.2 0.946 108.7 45.9 -66.5 -44.0 -20.3 34.1 -1.5 36 34 A Y H X S+ 0 0 14 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.864 112.4 52.6 -61.5 -39.0 -19.5 31.3 -3.9 37 35 A R H X S+ 0 0 49 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.867 106.4 53.0 -66.9 -35.7 -18.1 29.2 -1.1 38 36 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.939 110.5 46.1 -65.3 -47.0 -21.3 29.7 0.9 39 37 A V H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.907 111.0 54.2 -61.6 -39.8 -23.5 28.5 -1.9 40 38 A T H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.937 106.5 50.4 -60.8 -44.6 -21.0 25.6 -2.4 41 39 A L H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.911 110.5 51.5 -58.3 -43.5 -21.4 24.6 1.3 42 40 A W H X S+ 0 0 79 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.923 111.2 46.5 -57.3 -48.8 -25.2 24.7 0.8 43 41 A V H >X>S+ 0 0 0 -4,-2.7 5,-1.4 1,-0.2 4,-1.1 0.954 111.4 51.1 -61.8 -50.2 -25.0 22.5 -2.3 44 42 A L H ><5S+ 0 0 1 -4,-3.0 3,-0.8 1,-0.2 257,-0.3 0.904 109.0 51.4 -53.2 -44.5 -22.7 20.0 -0.6 45 43 A R H 3<5S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.762 107.0 52.4 -70.2 -24.7 -25.0 19.7 2.4 46 44 A A H <<5S- 0 0 59 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.607 108.6-128.9 -81.3 -15.9 -28.0 19.0 0.2 47 45 A G T <<5 + 0 0 15 -4,-1.1 -3,-0.2 -3,-0.8 -2,-0.1 0.779 43.1 172.7 76.3 25.8 -26.0 16.2 -1.4 48 46 A V < - 0 0 22 -5,-1.4 2,-0.5 1,-0.1 -1,-0.2 -0.409 43.3-100.4 -68.3 141.6 -26.8 17.4 -4.9 49 47 A D > - 0 0 47 1,-0.2 3,-1.6 -2,-0.1 7,-0.2 -0.517 28.0-154.4 -67.3 115.8 -24.9 15.7 -7.7 50 48 A L T 3 S+ 0 0 13 251,-2.4 -1,-0.2 -2,-0.5 252,-0.1 0.633 90.0 64.0 -71.0 -13.5 -22.1 18.0 -8.6 51 49 A T T 3 S+ 0 0 61 250,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.400 91.4 77.2 -84.8 4.2 -21.9 16.7 -12.2 52 50 A D <> - 0 0 48 -3,-1.6 4,-2.0 1,-0.2 3,-0.5 -0.846 55.9-175.2-123.7 95.8 -25.4 18.0 -12.9 53 51 A P H > S+ 0 0 50 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.875 87.6 55.0 -58.4 -40.0 -25.7 21.8 -13.5 54 52 A A H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.868 108.3 49.8 -61.6 -35.8 -29.5 21.7 -13.7 55 53 A A H > S+ 0 0 26 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.899 111.2 48.4 -70.6 -37.8 -29.5 20.0 -10.2 56 54 A I H X S+ 0 0 2 -4,-2.0 4,-0.6 -7,-0.2 -2,-0.2 0.925 112.6 48.7 -66.3 -46.3 -27.2 22.7 -8.8 57 55 A A H >< S+ 0 0 20 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.952 113.3 47.3 -56.2 -50.7 -29.3 25.4 -10.3 58 56 A A H >< S+ 0 0 66 -4,-2.5 3,-1.0 1,-0.3 -2,-0.2 0.926 112.1 49.9 -59.5 -42.3 -32.5 23.8 -8.9 59 57 A A H 3< S+ 0 0 31 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.482 109.6 52.1 -77.0 -3.1 -30.9 23.4 -5.4 60 58 A T T X< S+ 0 0 2 -3,-1.3 3,-0.6 -4,-0.6 -1,-0.2 0.130 70.2 108.8-124.1 20.1 -29.7 27.0 -5.2 61 59 A D T < S+ 0 0 100 -3,-1.0 -1,-0.1 1,-0.2 -2,-0.1 0.804 93.9 21.9 -56.7 -37.8 -32.9 29.0 -6.0 62 60 A Q T 3 S+ 0 0 166 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.0 -0.510 73.5 174.5-139.8 62.3 -33.2 30.2 -2.4 63 61 A V < - 0 0 31 -3,-0.6 2,-1.9 1,-0.1 -24,-0.1 -0.654 29.9-138.0 -76.0 115.9 -29.9 30.1 -0.6 64 62 A P + 0 0 53 0, 0.0 15,-2.7 0, 0.0 16,-0.4 -0.505 47.6 155.8 -77.8 80.1 -30.4 31.7 2.9 65 63 A M E +E 78 0B 39 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.809 26.0 176.9-121.5 145.9 -27.2 33.7 2.9 66 64 A S E +E 77 0B 69 11,-2.0 11,-2.4 -2,-0.3 2,-0.3 -0.986 2.0 176.6-144.4 137.8 -25.8 36.8 4.5 67 65 A V E -E 76 0B 29 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.993 25.4-123.5-139.1 146.3 -22.4 38.4 4.4 68 66 A S - 0 0 38 7,-1.0 -37,-0.4 -2,-0.3 6,-0.0 -0.515 3.3-154.9 -85.7 153.9 -21.1 41.7 6.0 69 67 A S + 0 0 32 -2,-0.2 -40,-3.1 -39,-0.1 -1,-0.1 0.221 67.9 105.0-107.3 9.0 -19.5 44.6 4.1 70 68 A D > - 0 0 73 3,-0.3 3,-1.9 -42,-0.2 -42,-0.1 -0.834 64.6-150.6 -92.0 115.5 -17.6 45.7 7.2 71 69 A P T 3 S+ 0 0 13 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.717 97.0 49.4 -61.7 -20.5 -14.0 44.7 6.8 72 70 A D T 3 S+ 0 0 119 1,-0.2 -2,-0.0 -53,-0.0 -53,-0.0 0.539 114.2 44.1 -91.5 -9.2 -13.6 44.3 10.6 73 71 A A S < S+ 0 0 45 -3,-1.9 2,-0.5 2,-0.1 -3,-0.3 -0.297 70.1 163.5-134.2 48.5 -16.8 42.2 11.1 74 72 A Q + 0 0 56 -3,-0.4 2,-0.3 -5,-0.1 -5,-0.1 -0.582 9.4 159.3 -74.4 119.7 -16.7 39.5 8.3 75 73 A T - 0 0 59 -2,-0.5 -7,-1.0 2,-0.0 2,-0.6 -0.967 31.8-144.9-141.0 150.6 -19.1 36.7 9.1 76 74 A A E -E 67 0B 6 -2,-0.3 7,-3.1 -9,-0.2 2,-0.4 -0.976 21.4-172.5-123.3 107.8 -20.6 34.2 6.7 77 75 A L E +EF 66 82B 59 -11,-2.4 -11,-2.0 -2,-0.6 2,-0.4 -0.893 10.5 177.9-109.0 136.4 -24.1 33.2 7.7 78 76 A L E > S-EF 65 81B 4 3,-2.3 3,-2.6 -2,-0.4 -13,-0.2 -0.981 79.3 -16.7-136.2 121.9 -26.1 30.5 6.1 79 77 A A T 3 S- 0 0 70 -15,-2.7 -14,-0.1 -2,-0.4 3,-0.1 0.870 128.9 -55.7 50.0 39.8 -29.6 29.7 7.5 80 78 A G T 3 S+ 0 0 72 -16,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.312 112.7 123.0 77.9 -7.4 -28.6 31.6 10.6 81 79 A E E < -F 78 0B 92 -3,-2.6 -3,-2.3 1,-0.0 2,-0.8 -0.675 67.7-123.9 -88.4 135.6 -25.5 29.4 11.2 82 80 A D E +F 77 0B 93 -2,-0.3 3,-0.2 -5,-0.2 -5,-0.2 -0.717 36.6 170.9 -74.8 109.5 -22.0 31.0 11.4 83 81 A V > + 0 0 0 -7,-3.1 4,-2.3 -2,-0.8 5,-0.2 0.071 34.5 120.3-114.5 23.5 -20.2 29.0 8.6 84 82 A S T 4 S+ 0 0 38 -8,-0.4 4,-0.2 2,-0.2 -1,-0.2 0.823 80.9 43.4 -54.1 -38.8 -17.0 31.1 8.5 85 83 A V T >4 S+ 0 0 123 -3,-0.2 3,-2.3 2,-0.1 4,-0.4 0.983 114.2 45.2 -73.8 -62.1 -14.9 28.0 9.4 86 84 A P G >4 S+ 0 0 43 0, 0.0 3,-1.7 0, 0.0 6,-0.4 0.816 103.5 63.9 -58.7 -31.3 -16.5 25.3 7.1 87 85 A I G 3< S+ 0 0 2 -4,-2.3 -2,-0.1 1,-0.3 -3,-0.1 0.647 104.2 49.7 -66.7 -12.8 -16.6 27.6 4.0 88 86 A R G < S+ 0 0 120 -3,-2.3 -1,-0.3 -4,-0.2 -3,-0.1 0.440 90.2 111.9 -99.7 -2.7 -12.8 27.6 4.1 89 87 A G S <> S- 0 0 21 -3,-1.7 4,-2.4 -4,-0.4 3,-0.2 -0.188 81.8-109.5 -70.7 162.2 -12.5 23.8 4.5 90 88 A N H > S+ 0 0 78 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.838 114.4 62.7 -62.6 -32.4 -11.0 21.5 1.8 91 89 A E H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.957 110.4 38.7 -57.4 -50.8 -14.5 20.0 1.0 92 90 A V H > S+ 0 0 2 -6,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.895 113.9 55.8 -68.0 -39.0 -15.8 23.4 -0.1 93 91 A T H < S+ 0 0 49 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.937 110.3 45.4 -61.5 -44.7 -12.5 24.3 -1.8 94 92 A G H < S+ 0 0 0 -4,-3.4 163,-2.3 157,-0.3 164,-0.3 0.829 120.4 40.1 -63.7 -31.2 -12.7 21.1 -3.9 95 93 A A H >X S+ 0 0 0 -4,-1.6 4,-1.5 -5,-0.3 3,-1.2 0.721 90.4 87.0 -91.7 -20.8 -16.3 21.7 -4.7 96 94 A V H 3X S+ 0 0 23 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.779 86.3 51.9 -61.9 -34.9 -16.4 25.4 -5.3 97 95 A S H 3> S+ 0 0 43 -4,-0.5 4,-1.0 2,-0.2 -1,-0.3 0.794 105.3 56.1 -71.6 -27.7 -15.5 25.4 -9.0 98 96 A A H <4 S+ 0 0 12 -3,-1.2 3,-0.4 -4,-0.2 4,-0.3 0.967 115.5 38.1 -62.8 -47.7 -18.2 22.9 -9.8 99 97 A V H >< S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.2 6,-0.2 0.900 113.1 56.0 -72.9 -40.8 -20.8 25.2 -8.3 100 98 A S H 3< S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.730 99.5 61.5 -59.9 -26.4 -19.2 28.4 -9.6 101 99 A A T 3< S+ 0 0 73 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.623 78.5 100.9 -81.2 -11.9 -19.3 27.2 -13.2 102 100 A V X> - 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