==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-04 1XBT . COMPND 2 MOLECULE: THYMIDINE KINASE, CYTOSOLIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WELIN,U.KOSINSKA,N.E.MIKKELSEN,C.CARNROT,C.ZHU,L.WANG, . 1289 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 820 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 211 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 49 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 1 15 0 0 0 0 8 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 7 19 12 0 2 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 . 12 8 0 8 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 . 16 0 0 0 0 0 0 0 0 0 4 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 18 A R 0 0 148 0, 0.0 83,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 86.4 11.4 8.3 43.8 2 19 A G - 0 0 9 81,-0.4 2,-0.3 82,-0.1 86,-0.3 -0.266 360.0-179.3 -83.2 172.8 7.9 8.2 45.3 3 20 A Q E -a 88 0A 51 84,-2.2 86,-3.2 76,-0.1 2,-0.5 -0.979 24.0-139.5-171.1 145.1 5.4 11.1 45.7 4 21 A I E -a 89 0A 0 -2,-0.3 110,-1.9 108,-0.2 111,-1.4 -0.990 18.5-174.3-117.5 125.5 2.0 12.2 46.9 5 22 A Q E -ab 90 115A 20 84,-2.9 86,-3.0 -2,-0.5 2,-0.5 -0.975 8.1-159.1-116.0 135.3 -0.1 14.6 44.8 6 23 A V E -ab 91 116A 0 109,-2.9 111,-2.2 -2,-0.4 2,-0.6 -0.961 8.0-166.5-122.6 127.7 -3.4 15.9 46.2 7 24 A I E +ab 92 117A 0 84,-3.5 86,-2.6 -2,-0.5 2,-0.2 -0.949 19.3 176.9-113.4 107.0 -6.2 17.4 44.1 8 25 A L E + b 0 118A 0 109,-3.4 111,-3.5 -2,-0.6 86,-0.2 -0.563 15.0 119.6-104.4 169.8 -8.7 19.2 46.3 9 26 A G - 0 0 0 84,-0.5 86,-0.5 109,-0.3 87,-0.2 -0.773 57.0 -78.7 154.1 167.2 -11.9 21.2 45.5 10 27 A P > - 0 0 3 0, 0.0 3,-0.8 0, 0.0 5,-0.3 -0.117 68.2 -66.9 -76.1-177.1 -15.6 21.4 46.0 11 28 A M T 3 S+ 0 0 23 1,-0.2 136,-0.0 141,-0.1 121,-0.0 -0.346 119.1 27.7 -65.4 155.3 -18.0 19.2 44.1 12 29 A F T 3 S+ 0 0 35 109,-0.1 110,-0.4 1,-0.1 -1,-0.2 0.654 85.5 112.1 68.3 19.2 -18.4 19.8 40.3 13 30 A S S < S- 0 0 0 -3,-0.8 107,-0.3 108,-0.1 174,-0.1 0.436 89.9-108.5-100.0 -2.7 -14.8 21.2 40.0 14 31 A G > + 0 0 20 105,-0.1 4,-2.6 -4,-0.1 5,-0.2 0.779 63.9 150.6 82.7 30.9 -13.5 18.3 37.9 15 32 A K H > S+ 0 0 25 -5,-0.3 4,-2.3 1,-0.2 5,-0.1 0.901 75.8 47.8 -59.0 -46.3 -11.3 16.6 40.5 16 33 A S H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.852 111.0 51.4 -63.1 -38.7 -11.8 13.2 38.9 17 34 A T H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 110.9 47.5 -65.2 -44.7 -11.1 14.5 35.4 18 35 A E H X S+ 0 0 14 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.881 109.9 54.2 -62.6 -39.4 -7.9 16.1 36.6 19 36 A L H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.949 111.0 45.3 -55.9 -50.6 -6.9 12.8 38.4 20 37 A M H X S+ 0 0 59 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.881 109.0 55.5 -64.8 -40.0 -7.4 10.9 35.1 21 38 A R H X S+ 0 0 23 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.933 111.4 44.9 -55.3 -46.7 -5.5 13.5 33.1 22 39 A R H X S+ 0 0 22 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.896 114.8 47.3 -66.5 -41.1 -2.5 13.1 35.4 23 40 A V H >X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 3,-0.6 0.908 107.9 55.5 -67.6 -43.9 -2.7 9.3 35.4 24 41 A R H 3X S+ 0 0 118 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.799 99.0 63.1 -58.8 -32.3 -3.0 9.1 31.6 25 42 A R H 3< S+ 0 0 21 -4,-1.3 4,-0.4 -5,-0.2 259,-0.3 0.896 109.6 38.6 -58.2 -43.6 0.2 11.1 31.2 26 43 A F H X<>S+ 0 0 21 -4,-0.9 5,-2.1 -3,-0.6 3,-0.7 0.890 114.8 54.2 -74.0 -41.5 2.2 8.3 32.9 27 44 A Q H ><5S+ 0 0 107 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.904 104.1 53.6 -60.4 -45.1 0.2 5.5 31.2 28 45 A I T 3<5S+ 0 0 68 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.717 105.5 56.6 -63.9 -19.7 0.9 6.9 27.7 29 46 A A T < 5S- 0 0 3 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.114 127.4-100.4 -98.8 18.4 4.6 6.8 28.7 30 47 A Q T < 5S+ 0 0 172 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.525 73.0 145.9 78.1 10.8 4.3 3.0 29.5 31 48 A Y < - 0 0 70 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.517 55.0-113.9 -70.2 144.1 4.0 3.2 33.3 32 49 A K - 0 0 152 -2,-0.2 31,-1.9 28,-0.0 30,-1.6 -0.714 42.9-167.3 -78.1 128.2 1.8 0.6 35.0 33 50 A C E -c 63 0A 34 -2,-0.4 2,-0.4 29,-0.2 31,-0.2 -0.881 19.5-170.5-123.2 151.1 -1.2 2.4 36.5 34 51 A L E -c 64 0A 25 29,-2.2 31,-3.2 -2,-0.3 2,-0.5 -0.993 6.4-161.6-138.1 132.3 -4.0 1.6 38.9 35 52 A V E -c 65 0A 23 -2,-0.4 11,-2.0 29,-0.2 2,-0.4 -0.960 7.5-162.4-113.1 130.4 -7.0 3.7 39.7 36 53 A I E -cd 66 46A 0 29,-3.3 31,-3.1 -2,-0.5 2,-0.3 -0.927 6.6-172.9-111.6 134.7 -9.0 3.1 42.9 37 54 A K E - d 0 47A 61 9,-2.4 11,-2.0 -2,-0.4 2,-0.5 -0.923 35.6 -99.1-124.3 151.2 -12.6 4.4 43.4 38 55 A Y E > - d 0 48A 11 29,-0.5 3,-1.6 -2,-0.3 11,-0.2 -0.579 30.8-144.4 -70.7 119.4 -14.8 4.4 46.5 39 56 A A T 3 S+ 0 0 38 9,-2.7 -1,-0.1 -2,-0.5 10,-0.1 0.750 92.4 59.6 -61.6 -29.6 -17.2 1.4 46.1 40 57 A K T 3 S+ 0 0 124 8,-0.3 2,-0.8 1,-0.1 -1,-0.3 0.555 87.9 79.5 -82.3 -6.9 -20.2 3.0 47.7 41 58 A D < + 0 0 11 -3,-1.6 -1,-0.1 1,-0.1 -3,-0.0 -0.857 51.6 158.4 -98.6 105.3 -20.3 5.9 45.2 42 59 A T 0 0 125 -2,-0.8 -1,-0.1 0, 0.0 -3,-0.0 0.243 360.0 360.0-115.4 14.4 -22.0 4.4 42.1 43 60 A R 0 0 163 103,-0.0 -2,-0.0 104,-0.0 103,-0.0 -0.148 360.0 360.0 -52.4 360.0 -23.4 7.4 40.2 44 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 45 75 A A 0 0 114 0, 0.0 -9,-0.2 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 82.7 -10.7 1.2 38.0 46 76 A L E -d 36 0A 58 -11,-2.0 -9,-2.4 8,-0.1 2,-0.2 -0.517 360.0-138.7 -74.3 122.0 -10.9 -1.0 41.1 47 77 A P E +d 37 0A 85 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.572 32.8 165.6 -75.4 143.0 -13.8 -0.3 43.6 48 78 A A E -d 38 0A 8 -11,-2.0 -9,-2.7 -2,-0.2 -8,-0.3 -0.987 39.6-163.7-155.3 155.9 -12.8 -0.4 47.3 49 79 A C S S+ 0 0 42 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.602 93.3 28.1-109.0 -29.6 -14.0 0.5 50.8 50 80 A L S > S- 0 0 47 22,-0.1 3,-1.0 23,-0.1 -1,-0.4 -0.994 73.1-139.2-130.9 138.3 -10.7 0.2 52.4 51 81 A L G > S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.2 4,-0.3 0.803 101.6 67.3 -67.7 -28.2 -7.4 0.9 50.6 52 82 A R G > S+ 0 0 163 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.790 90.4 63.5 -60.9 -28.0 -5.8 -2.1 52.4 53 83 A D G < S+ 0 0 88 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.611 112.5 36.1 -68.5 -9.5 -8.2 -4.4 50.5 54 84 A V G <> S+ 0 0 5 -3,-1.7 4,-1.9 -4,-0.2 3,-0.3 0.276 85.0 105.4-128.7 2.4 -6.4 -3.3 47.4 55 85 A A H <> S+ 0 0 25 -3,-0.8 4,-1.2 -4,-0.3 -2,-0.1 0.776 75.5 57.2 -67.3 -27.9 -2.9 -2.9 48.6 56 86 A Q H > S+ 0 0 163 -4,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.904 108.8 46.3 -69.1 -40.3 -1.5 -6.1 46.9 57 87 A E H >4 S+ 0 0 103 -3,-0.3 3,-0.9 1,-0.2 -2,-0.2 0.899 110.9 54.2 -63.0 -40.8 -2.7 -4.9 43.5 58 88 A A H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.761 98.3 64.0 -65.9 -27.0 -1.1 -1.4 44.2 59 89 A L H 3< S+ 0 0 99 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.778 98.9 52.9 -69.4 -27.5 2.2 -3.0 45.0 60 90 A G T << S+ 0 0 58 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.2 0.196 101.7 77.0 -92.6 17.3 2.7 -4.3 41.4 61 91 A V < - 0 0 19 -3,-1.1 -28,-0.2 1,-0.1 3,-0.1 -0.836 63.8-150.3-129.1 154.8 2.1 -0.8 39.9 62 92 A A S S+ 0 0 38 -30,-1.6 26,-2.3 -2,-0.3 2,-0.4 0.746 85.5 40.3 -96.5 -27.4 4.2 2.4 39.5 63 93 A V E -ce 33 88A 0 -31,-1.9 -29,-2.2 24,-0.2 2,-0.5 -0.988 65.1-169.9-129.9 125.5 1.3 5.0 39.6 64 94 A I E -ce 34 89A 0 24,-3.0 26,-3.0 -2,-0.4 2,-0.4 -0.964 2.0-166.7-120.2 122.9 -1.7 4.9 41.8 65 95 A G E -ce 35 90A 0 -31,-3.2 -29,-3.3 -2,-0.5 2,-0.5 -0.900 3.8-164.2-104.5 134.8 -4.8 7.2 41.5 66 96 A I E -ce 36 91A 0 24,-3.1 26,-3.0 -2,-0.4 3,-0.4 -0.972 4.0-157.7-122.4 120.3 -7.4 7.4 44.2 67 97 A D S S+ 0 0 16 -31,-3.1 -29,-0.5 -2,-0.5 26,-0.1 -0.778 76.5 6.7 -94.9 136.6 -10.8 9.0 43.6 68 98 A E S > S+ 0 0 16 24,-0.4 3,-1.8 -2,-0.4 25,-0.2 0.930 72.9 177.2 59.0 52.0 -12.9 10.4 46.4 69 99 A G G > + 0 0 0 23,-2.6 3,-1.4 -3,-0.4 6,-0.2 0.683 64.9 77.1 -61.2 -22.6 -10.0 9.9 48.9 70 100 A Q G 3 S+ 0 0 12 1,-0.2 35,-0.3 22,-0.2 -1,-0.3 0.735 88.7 58.1 -58.4 -26.7 -12.1 11.5 51.7 71 101 A F G < S+ 0 0 31 -3,-1.8 -1,-0.2 33,-0.1 -2,-0.2 0.521 85.0 90.0 -86.9 -7.0 -14.1 8.3 52.2 72 102 A F X - 0 0 1 -3,-1.4 3,-1.6 -4,-0.2 33,-0.2 -0.835 60.0-161.2 -94.9 114.2 -11.1 6.0 52.9 73 103 A P T 3 S+ 0 0 96 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.745 93.6 48.2 -64.2 -24.1 -10.4 5.9 56.6 74 104 A D T 3> S+ 0 0 15 1,-0.2 4,-2.2 2,-0.1 5,-0.3 0.094 73.8 119.1-103.0 21.4 -6.8 4.6 55.8 75 105 A I H <> S+ 0 0 1 -3,-1.6 4,-2.2 -6,-0.2 5,-0.2 0.880 74.5 48.8 -52.6 -44.3 -6.0 7.2 53.2 76 106 A V H > S+ 0 0 38 -3,-0.3 4,-2.4 -4,-0.2 5,-0.2 0.952 113.3 42.2 -66.8 -53.7 -3.0 8.6 55.1 77 107 A E H > S+ 0 0 145 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 116.1 50.9 -64.1 -38.2 -1.1 5.4 56.0 78 108 A F H X S+ 0 0 13 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.950 113.0 43.1 -62.6 -52.3 -1.7 3.9 52.5 79 109 A C H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.910 115.4 49.0 -64.6 -42.6 -0.4 6.9 50.6 80 110 A E H X S+ 0 0 26 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.907 112.8 46.2 -64.1 -44.8 2.5 7.4 52.8 81 111 A A H X S+ 0 0 57 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.873 114.2 48.8 -63.5 -40.0 3.5 3.7 52.6 82 112 A M H <>S+ 0 0 14 -4,-2.5 5,-2.5 2,-0.2 -2,-0.2 0.895 112.0 48.2 -69.6 -38.1 3.1 3.6 48.8 83 113 A A H ><5S+ 0 0 2 -4,-2.6 3,-1.4 1,-0.2 -81,-0.4 0.871 110.3 51.4 -68.8 -38.1 5.1 6.8 48.3 84 114 A N H 3<5S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.746 104.3 58.4 -72.1 -22.3 7.9 5.5 50.6 85 115 A A T 3<5S- 0 0 61 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.289 129.6 -98.0 -83.1 7.3 7.9 2.3 48.5 86 116 A G T < 5S+ 0 0 35 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.556 78.6 136.7 91.1 10.4 8.7 4.5 45.4 87 117 A K < - 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0 0 11 4,-2.3 3,-2.2 -2,-0.3 36,-0.4 -0.201 53.0 -81.9 -75.3-178.3 -18.0 18.6 53.9 98 128 A F T 3 S+ 0 0 36 1,-0.3 37,-0.3 44,-0.2 -1,-0.1 0.619 135.2 55.2 -60.4 -14.4 -21.3 20.4 53.4 99 129 A Q T 3 S- 0 0 92 2,-0.1 -1,-0.3 35,-0.1 35,-0.1 0.286 117.5-114.0-100.7 8.6 -20.5 22.2 56.7 100 130 A R S < S+ 0 0 16 -3,-2.2 -2,-0.1 33,-0.2 3,-0.0 0.841 75.2 130.9 58.5 36.6 -17.1 23.4 55.4 101 131 A K S S- 0 0 116 1,-0.1 -4,-2.3 334,-0.1 -1,-0.2 -0.790 72.2 -74.4-109.0 158.2 -15.3 21.2 57.9 102 132 A P B -L 96 0B 49 0, 0.0 2,-0.9 0, 0.0 -6,-0.2 -0.257 48.4-127.5 -50.7 134.4 -12.4 18.9 57.2 103 133 A F > - 0 0 21 -8,-1.5 3,-1.3 -9,-0.2 4,-0.1 -0.789 58.0 -59.2 -94.6 101.5 -13.7 15.8 55.4 104 134 A G T 3 S- 0 0 60 -2,-0.9 3,-0.3 1,-0.2 -33,-0.1 -0.367 102.4 -34.9 64.4-138.4 -12.4 12.7 57.2 105 135 A A T > S+ 0 0 32 -35,-0.3 3,-1.9 -33,-0.2 4,-0.3 0.349 102.7 112.8 -98.0 3.1 -8.7 12.4 57.5 106 136 A I G X + 0 0 0 -3,-1.3 3,-1.5 1,-0.3 4,-0.3 0.752 67.2 59.3 -57.5 -32.5 -7.9 13.9 54.1 107 137 A L G > S+ 0 0 9 -3,-0.3 3,-1.3 1,-0.3 -1,-0.3 0.726 88.8 73.7 -71.9 -20.2 -6.1 17.1 55.3 108 138 A N G < S+ 0 0 74 -3,-1.9 -1,-0.3 1,-0.3 4,-0.2 0.637 88.1 65.4 -63.8 -14.4 -3.5 15.0 57.1 109 139 A L G X> S+ 0 0 0 -3,-1.5 3,-1.1 -4,-0.3 4,-0.9 0.767 83.5 75.6 -73.1 -29.6 -2.2 14.3 53.6 110 140 A V G X4 S+ 0 0 1 -3,-1.3 3,-1.1 -4,-0.3 -2,-0.2 0.896 94.7 45.7 -56.7 -50.0 -1.2 17.9 53.0 111 141 A P G 34 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.664 117.0 49.1 -65.7 -15.8 1.9 18.0 55.2 112 142 A L G <4 S+ 0 0 16 -3,-1.1 2,-0.3 -4,-0.2 -2,-0.2 0.544 95.4 94.9 -94.9 -11.7 2.9 14.6 53.5 113 143 A A << - 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