==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-MAR-11 3R20 . COMPND 2 MOLECULE: CYTIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 217 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.2 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 . 1 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 . 12 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 0 0 1 0 2 1 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 5 A S 0 0 121 0, 0.0 119,-0.1 0, 0.0 122,-0.0 0.000 360.0 360.0 360.0 8.6 19.1 51.0 0.1 2 6 A L - 0 0 37 120,-0.1 121,-2.3 1,-0.1 2,-0.5 -0.067 360.0-161.5 -51.0 128.4 18.0 50.7 3.8 3 7 A V E -a 123 0A 23 119,-0.2 137,-2.0 134,-0.1 136,-0.9 -0.969 9.8-170.7-112.5 119.4 16.5 53.8 5.6 4 8 A V E -ab 124 140A 2 119,-2.8 121,-3.2 -2,-0.5 2,-0.4 -0.955 6.9-156.8-116.7 126.4 16.5 53.6 9.4 5 9 A A E -ab 125 141A 0 135,-2.9 137,-2.5 -2,-0.5 2,-0.5 -0.852 6.8-172.3-103.1 132.4 14.6 56.1 11.6 6 10 A V E +ab 126 142A 0 119,-2.7 121,-2.1 -2,-0.4 2,-0.2 -0.969 17.5 162.5-127.8 115.8 15.7 56.7 15.3 7 11 A D E +ab 127 143A 7 135,-2.3 137,-3.0 -2,-0.5 121,-0.2 -0.751 11.2 104.5-126.0 166.5 13.5 58.9 17.4 8 12 A G - 0 0 0 119,-0.5 137,-0.2 -2,-0.2 3,-0.1 -0.635 66.3 -57.6 142.4 168.2 12.8 59.6 21.1 9 13 A P > - 0 0 17 0, 0.0 3,-0.8 0, 0.0 5,-0.3 -0.221 69.4 -80.7 -70.5 166.8 13.5 62.2 23.8 10 14 A A T 3 S+ 0 0 47 1,-0.2 145,-0.1 2,-0.1 141,-0.0 -0.284 108.8 33.4 -67.0 152.7 17.1 63.3 24.6 11 15 A G T 3 S+ 0 0 12 -3,-0.1 143,-0.2 143,-0.1 -1,-0.2 0.550 78.8 111.3 82.0 10.8 19.3 61.2 26.9 12 16 A T S < S- 0 0 4 -3,-0.8 133,-0.1 132,-0.1 -2,-0.1 0.518 99.8 -97.4 -88.2 -7.5 17.9 57.8 25.9 13 17 A G S > S+ 0 0 7 138,-0.1 4,-2.9 131,-0.1 5,-0.2 0.459 80.7 141.9 102.0 8.2 21.2 56.8 24.2 14 18 A K H > + 0 0 19 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.865 66.5 43.0 -52.5 -48.3 19.8 57.9 20.9 15 19 A S H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.910 116.1 47.9 -69.5 -41.0 22.9 59.4 19.3 16 20 A S H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 115.4 46.3 -63.7 -42.4 25.2 56.7 20.5 17 21 A V H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.910 112.5 48.8 -66.8 -45.1 22.8 54.1 19.2 18 22 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.927 114.8 44.7 -63.7 -45.6 22.2 55.8 15.8 19 23 A R H X S+ 0 0 49 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.895 113.8 51.0 -64.1 -39.4 25.9 56.2 15.2 20 24 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.926 112.2 45.9 -61.8 -48.1 26.5 52.6 16.4 21 25 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 6,-0.2 0.924 115.0 47.5 -59.0 -46.3 23.9 51.2 14.0 22 26 A A H X>S+ 0 0 1 -4,-2.5 5,-2.6 2,-0.2 4,-0.8 0.887 111.6 50.4 -64.5 -42.9 25.2 53.4 11.2 23 27 A R H ><5S+ 0 0 139 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.980 115.3 43.2 -56.4 -56.3 28.8 52.2 11.9 24 28 A A H 3<5S+ 0 0 56 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.758 116.3 46.4 -62.6 -32.5 27.8 48.5 11.9 25 29 A L H 3<5S- 0 0 23 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.511 107.6-120.2 -88.9 -6.5 25.5 48.8 8.8 26 30 A G T <<5 + 0 0 71 -3,-1.1 96,-0.3 -4,-0.8 2,-0.2 0.852 66.8 146.1 63.9 37.1 28.1 50.7 6.8 27 31 A A < - 0 0 7 -5,-2.6 96,-0.3 -6,-0.2 -1,-0.2 -0.656 56.0-105.9-102.5 157.6 25.4 53.5 6.5 28 32 A R E -c 123 0A 53 94,-2.6 96,-2.6 -2,-0.2 2,-0.5 -0.481 34.9-137.7 -68.3 150.8 25.5 57.3 6.4 29 33 A Y E -c 124 0A 4 40,-2.4 2,-0.6 94,-0.2 96,-0.2 -0.976 14.6-166.7-120.5 128.2 24.4 58.9 9.6 30 34 A L E -c 125 0A 7 94,-2.8 96,-2.6 -2,-0.5 2,-1.1 -0.917 4.5-166.3-120.2 103.0 22.2 62.0 9.6 31 35 A D E > -c 126 0A 13 -2,-0.6 4,-1.2 37,-0.3 3,-0.2 -0.742 7.3-178.3 -84.9 95.0 21.9 63.9 12.9 32 36 A T H > S+ 0 0 6 94,-1.6 4,-1.6 -2,-1.1 -1,-0.2 0.867 79.0 61.0 -70.9 -32.7 18.8 66.1 12.2 33 37 A G H > S+ 0 0 31 93,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.912 101.4 53.6 -52.6 -46.8 19.1 67.8 15.6 34 38 A A H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.881 103.5 57.5 -55.3 -38.6 22.6 69.1 14.6 35 39 A M H X S+ 0 0 5 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.898 107.5 46.0 -63.5 -39.3 21.1 70.6 11.5 36 40 A Y H X S+ 0 0 18 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.888 112.5 52.2 -66.0 -38.2 18.6 72.6 13.6 37 41 A R H X S+ 0 0 47 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.863 108.7 49.2 -66.7 -38.5 21.5 73.6 15.9 38 42 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.940 111.5 49.1 -66.3 -47.3 23.7 74.8 12.9 39 43 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.905 110.3 53.1 -52.2 -42.1 20.7 76.8 11.6 40 44 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.898 106.2 51.6 -64.2 -39.5 20.4 78.2 15.2 41 45 A L H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.882 108.7 51.0 -65.5 -40.2 24.1 79.3 15.2 42 46 A A H X S+ 0 0 13 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.853 109.2 51.9 -60.7 -37.4 23.6 81.1 11.9 43 47 A V H X>S+ 0 0 0 -4,-1.8 5,-1.7 2,-0.2 4,-0.7 0.931 111.4 45.7 -67.7 -48.2 20.5 82.9 13.4 44 48 A L H ><5S+ 0 0 60 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.938 112.4 50.9 -58.6 -48.8 22.5 84.0 16.5 45 49 A R H 3<5S+ 0 0 116 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.814 108.4 53.8 -59.2 -30.5 25.5 85.1 14.3 46 50 A A H 3<5S- 0 0 66 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.605 105.8-128.7 -78.2 -15.1 23.0 87.1 12.1 47 51 A G T <<5 + 0 0 66 -3,-1.3 -3,-0.2 -4,-0.7 -2,-0.1 0.723 43.3 176.6 74.4 19.4 21.6 89.0 15.1 48 52 A A < - 0 0 19 -5,-1.7 2,-0.3 1,-0.1 -1,-0.2 -0.372 41.0-103.6 -67.3 134.3 18.1 88.0 14.0 49 53 A D > - 0 0 88 1,-0.2 3,-1.8 -3,-0.1 7,-0.3 -0.403 28.3-152.1 -56.0 110.4 15.3 89.1 16.3 50 54 A L T 3 S+ 0 0 68 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.574 94.0 57.3 -68.7 -9.6 14.4 85.8 18.1 51 55 A T T 3 S+ 0 0 124 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.410 94.2 79.4 -94.2 1.0 10.8 87.0 18.6 52 56 A D X> - 0 0 66 -3,-1.8 4,-2.4 1,-0.1 3,-0.5 -0.893 60.0-168.4-114.6 98.4 10.4 87.5 14.8 53 57 A P H 3> S+ 0 0 74 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.851 90.3 54.8 -54.0 -35.9 9.8 84.2 12.9 54 58 A A H 3> S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.881 109.4 46.5 -67.4 -36.8 10.4 86.0 9.5 55 59 A A H <> S+ 0 0 26 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.912 113.8 48.1 -69.1 -42.2 13.8 87.2 10.7 56 60 A I H X S+ 0 0 3 -4,-2.4 4,-2.4 -7,-0.3 5,-0.2 0.950 111.4 51.5 -60.9 -47.7 14.7 83.8 12.0 57 61 A E H X S+ 0 0 92 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.911 110.4 48.3 -55.4 -49.0 13.5 82.2 8.7 58 62 A K H X S+ 0 0 140 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.944 112.2 47.1 -58.0 -53.8 15.7 84.6 6.6 59 63 A A H < S+ 0 0 10 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.874 116.4 44.6 -58.2 -37.8 18.9 84.1 8.7 60 64 A A H >< S+ 0 0 1 -4,-2.4 3,-0.7 -5,-0.2 -1,-0.2 0.863 109.7 55.3 -78.4 -34.4 18.5 80.3 8.6 61 65 A A H 3< S+ 0 0 45 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.890 106.7 51.8 -59.1 -44.5 17.5 80.2 4.9 62 66 A D T 3< S+ 0 0 115 -4,-2.2 2,-0.2 -5,-0.2 -1,-0.2 0.621 89.7 105.9 -68.6 -16.3 20.8 82.0 4.1 63 67 A A < - 0 0 11 -3,-0.7 2,-0.9 -4,-0.5 -24,-0.1 -0.499 65.4-143.5 -74.3 130.8 22.9 79.4 6.1 64 68 A E - 0 0 63 -2,-0.2 15,-2.4 2,-0.0 2,-0.5 -0.833 30.0-165.7 -91.9 102.8 25.0 76.9 4.2 65 69 A I E +E 78 0B 39 -2,-0.9 2,-0.4 13,-0.2 13,-0.2 -0.793 14.8 174.9-103.6 124.6 24.5 73.9 6.5 66 70 A G E -E 77 0B 28 11,-2.6 11,-3.4 -2,-0.5 2,-0.4 -0.996 9.8-172.3-127.1 132.9 26.5 70.7 6.4 67 71 A V E -E 76 0B 32 -2,-0.4 9,-0.2 9,-0.2 2,-0.1 -0.981 32.5-115.9-113.9 134.4 26.4 67.7 8.7 68 72 A G - 0 0 24 7,-3.0 -37,-0.3 -2,-0.4 7,-0.2 -0.462 15.4-152.5 -65.3 138.0 29.1 65.0 8.3 69 73 A S + 0 0 58 -2,-0.1 -40,-2.4 -39,-0.1 -1,-0.1 0.450 66.1 102.4 -92.6 -2.1 27.6 61.6 7.3 70 74 A D > - 0 0 74 -42,-0.2 3,-1.7 1,-0.1 5,-0.1 -0.746 60.8-155.2 -88.0 114.6 30.4 59.6 8.9 71 75 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 0.737 89.0 65.9 -61.5 -21.4 29.1 58.1 12.2 72 76 A D T 3 S+ 0 0 110 -49,-0.1 2,-0.4 -53,-0.0 -3,-0.0 0.533 99.5 57.5 -80.8 -4.0 32.7 57.9 13.5 73 77 A V S < S- 0 0 66 -3,-1.7 2,-1.0 2,-0.1 -5,-0.0 -0.961 73.7-132.0-131.6 145.1 33.2 61.7 13.6 74 78 A D + 0 0 87 -2,-0.4 2,-0.4 -7,-0.0 10,-0.1 -0.822 46.1 161.6 -88.7 101.2 31.6 64.7 15.2 75 79 A A + 0 0 20 -2,-1.0 -7,-3.0 -7,-0.2 2,-0.4 -0.925 13.2 160.0-135.2 114.9 31.3 67.0 12.2 76 80 A A E -E 67 0B 2 -2,-0.4 7,-3.1 -9,-0.2 8,-0.6 -0.999 17.1-167.4-130.6 132.8 29.0 70.1 11.8 77 81 A F E -EF 66 82B 71 -11,-3.4 -11,-2.6 -2,-0.4 2,-0.4 -0.952 16.9-173.8-128.2 138.9 29.7 72.8 9.3 78 82 A L E > S-EF 65 81B 15 3,-1.9 3,-1.9 -2,-0.4 -13,-0.2 -0.976 86.5 -22.8-128.7 114.7 28.4 76.3 8.6 79 83 A A T 3 S- 0 0 84 -15,-2.4 -14,-0.1 -2,-0.4 3,-0.1 0.864 127.8 -51.6 49.7 43.1 29.7 77.9 5.4 80 84 A G T 3 S+ 0 0 65 -16,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.082 111.3 122.4 87.4 -25.3 32.7 75.5 5.5 81 85 A E E < -F 78 0B 87 -3,-1.9 -3,-1.9 1,-0.1 2,-0.7 -0.502 68.3-118.9 -76.6 138.7 33.7 76.4 9.1 82 86 A D E +F 77 0B 96 -5,-0.2 -5,-0.2 -2,-0.2 4,-0.2 -0.653 41.4 163.7 -76.9 112.0 33.8 73.5 11.7 83 87 A V > + 0 0 2 -7,-3.1 4,-2.8 -2,-0.7 5,-0.2 0.160 31.1 121.9-117.6 19.4 31.2 74.4 14.3 84 88 A S T 4 S+ 0 0 8 -8,-0.6 4,-0.3 1,-0.2 -1,-0.1 0.861 81.4 39.3 -49.2 -47.8 30.9 70.9 16.0 85 89 A S T >4 S+ 0 0 103 1,-0.2 3,-1.9 -3,-0.2 4,-0.3 0.967 115.1 50.5 -71.2 -54.4 31.9 72.2 19.4 86 90 A E G >4 S+ 0 0 93 1,-0.3 3,-1.9 2,-0.2 6,-0.4 0.845 101.3 61.5 -56.4 -37.8 30.0 75.5 19.3 87 91 A I G 3< S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.619 105.6 49.2 -68.6 -8.1 26.7 74.0 18.2 88 92 A R G < S+ 0 0 97 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.392 93.6 106.8-104.9 -2.5 26.7 72.0 21.5 89 93 A G S <> S- 0 0 30 -3,-1.9 4,-2.3 -4,-0.3 5,-0.2 -0.157 85.6 -97.7 -72.6 172.3 27.5 75.1 23.6 90 94 A D H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.864 116.6 53.0 -61.2 -45.9 25.1 76.9 25.9 91 95 A A H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 114.0 42.8 -58.3 -46.8 23.9 79.8 23.6 92 96 A V H > S+ 0 0 1 -6,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.910 113.3 52.7 -68.9 -40.5 22.9 77.4 20.8 93 97 A T H < S+ 0 0 39 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.893 112.3 46.3 -60.1 -38.4 21.3 75.0 23.2 94 98 A G H < S+ 0 0 50 -4,-2.1 4,-0.3 1,-0.2 3,-0.3 0.887 119.3 38.6 -73.5 -40.1 19.2 77.8 24.7 95 99 A A H >X S+ 0 0 10 -4,-2.0 4,-2.1 -5,-0.2 3,-0.5 0.633 92.6 83.6 -86.7 -15.5 18.2 79.3 21.3 96 100 A V H 3X S+ 0 0 21 -4,-1.8 4,-3.0 1,-0.3 5,-0.2 0.873 87.4 56.3 -68.0 -31.4 17.6 76.1 19.3 97 101 A S H 3> S+ 0 0 64 -4,-0.5 4,-1.2 -3,-0.3 -1,-0.3 0.901 109.2 46.7 -62.9 -37.8 14.0 75.6 20.6 98 102 A A H <4 S+ 0 0 39 -3,-0.5 4,-0.4 -4,-0.3 -2,-0.2 0.902 116.4 43.6 -71.6 -38.4 13.1 79.1 19.4 99 103 A V H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.908 112.6 52.3 -73.1 -41.2 14.6 78.6 16.0 100 104 A S H 3< S+ 0 0 16 -4,-3.0 -1,-0.2 1,-0.2 6,-0.2 0.748 99.3 65.8 -65.8 -25.8 13.2 75.1 15.6 101 105 A A T 3< S+ 0 0 47 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.669 76.1 100.2 -69.9 -19.7 9.7 76.4 16.4 102 106 A V X> - 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