==== 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 23-OCT-06 2J87 . COMPND 2 MOLECULE: THYMIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR K.EL OMARI,N.SOLAROLI,A.KARLSSON,J.BALZARINI,D.K.STAMMERS . 657 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 35 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 8 0 0 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 0 4 11 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 . 6 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 0 0 0 0 1 1 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 4 A G 0 0 61 0, 0.0 2,-0.3 0, 0.0 85,-0.2 0.000 360.0 360.0 360.0-175.8 9.7 6.5 -7.8 2 5 A H E -a 86 0A 35 83,-1.2 85,-2.3 76,-0.1 2,-0.4 -0.916 360.0-140.0 177.4 144.6 6.5 4.9 -6.5 3 6 A I E -a 87 0A 0 -2,-0.3 110,-1.7 83,-0.2 109,-1.0 -0.981 10.6-169.4-128.5 128.2 4.3 1.7 -6.8 4 7 A Q E -ab 88 113A 7 83,-2.8 85,-1.8 -2,-0.4 2,-0.3 -0.737 8.2-165.0-103.7 157.6 0.5 1.2 -6.9 5 8 A L E -ab 89 114A 3 108,-0.6 110,-1.6 -2,-0.3 2,-0.4 -0.992 10.1-174.4-148.9 138.5 -1.4 -2.1 -6.6 6 9 A I E +ab 90 115A 0 83,-2.2 85,-2.0 -2,-0.3 2,-0.2 -0.997 17.1 160.5-130.2 132.0 -4.9 -3.3 -7.3 7 10 A I E + b 0 116A 4 108,-2.6 110,-3.3 -2,-0.4 85,-0.2 -0.708 12.3 114.0-136.4-166.5 -6.3 -6.7 -6.5 8 11 A G - 0 0 0 108,-0.3 85,-0.3 -2,-0.2 110,-0.1 -0.628 66.2 -57.9 124.6 176.4 -9.5 -8.7 -6.0 9 12 A P S > S- 0 0 3 0, 0.0 3,-0.6 0, 0.0 5,-0.3 0.189 72.9 -67.6 -71.1-161.5 -11.1 -11.6 -7.9 10 13 A M T 3 S+ 0 0 34 1,-0.2 109,-0.1 140,-0.1 120,-0.1 -0.459 119.1 32.0 -84.5 167.8 -12.2 -11.4 -11.5 11 14 A F T 3 S+ 0 0 38 -2,-0.1 109,-0.3 1,-0.1 -1,-0.2 0.497 83.0 121.7 62.7 3.2 -15.0 -9.2 -12.8 12 15 A S S < S- 0 0 0 -3,-0.6 106,-0.3 107,-0.1 -1,-0.1 0.715 90.5-110.5 -59.8 -25.7 -13.8 -6.9 -9.9 13 16 A G S > S+ 0 0 12 104,-0.1 4,-1.6 -4,-0.1 5,-0.1 0.635 71.4 146.7 93.1 26.0 -13.2 -4.3 -12.6 14 17 A K H >> + 0 0 17 -5,-0.3 4,-1.9 1,-0.2 3,-1.0 0.974 63.6 43.9 -60.1 -70.2 -9.5 -4.6 -12.1 15 18 A S H 3> S+ 0 0 52 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.803 113.2 57.8 -45.6 -35.5 -8.0 -4.0 -15.6 16 19 A T H 3> S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.844 104.6 46.8 -69.0 -42.7 -10.4 -1.1 -15.9 17 20 A E H X S+ 0 0 71 -4,-2.0 4,-2.5 1,-0.2 3,-0.8 0.937 111.5 53.5 -56.8 -45.1 -6.2 2.1 -17.1 20 23 A R H 3X S+ 0 0 18 -4,-2.0 4,-1.5 1,-0.3 -1,-0.2 0.904 109.1 50.0 -54.6 -44.4 -8.1 4.8 -15.4 21 24 A R H 3< S+ 0 0 26 -4,-2.9 4,-0.5 1,-0.2 -1,-0.3 0.750 113.1 47.6 -62.4 -29.8 -5.2 5.2 -13.0 22 25 A V H XX S+ 0 0 7 -4,-1.7 3,-2.2 -3,-0.8 4,-2.1 0.954 103.6 56.4 -77.3 -56.2 -2.8 5.5 -16.0 23 26 A R H 3X S+ 0 0 139 -4,-2.5 4,-4.5 1,-0.3 5,-0.3 0.856 97.6 67.5 -43.8 -48.2 -4.7 8.0 -18.2 24 27 A R H 3< S+ 0 0 23 -4,-1.5 428,-0.3 -5,-0.2 -1,-0.3 0.841 109.2 35.4 -32.2 -51.7 -4.5 10.3 -15.2 25 28 A Y H X4 S+ 0 0 20 -3,-2.2 3,-1.4 -4,-0.5 -2,-0.2 0.902 118.0 51.0 -79.3 -44.2 -0.8 10.5 -15.7 26 29 A Q H >X S+ 0 0 102 -4,-2.1 3,-2.4 1,-0.3 4,-0.6 0.927 104.8 56.3 -57.4 -48.9 -0.8 10.4 -19.5 27 30 A I T 3< S+ 0 0 53 -4,-4.5 -1,-0.3 1,-0.3 -2,-0.2 0.458 101.9 59.0 -67.4 2.0 -3.4 13.2 -19.7 28 31 A A T <4 S- 0 0 4 -3,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.080 132.0 -97.2-108.5 20.5 -0.9 15.2 -17.7 29 32 A Q T <4 S+ 0 0 134 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.990 72.2 155.9 60.1 66.2 1.6 14.6 -20.6 30 33 A Y < - 0 0 52 -4,-0.6 2,-1.2 -7,-0.1 -1,-0.2 -0.848 53.8-105.3-117.5 156.8 3.5 11.6 -19.1 31 34 A K + 0 0 122 -2,-0.3 30,-3.0 27,-0.1 29,-0.3 -0.673 53.7 177.1 -81.3 95.5 5.5 8.8 -20.7 32 35 A C E +c 61 0A 19 -2,-1.2 2,-0.3 28,-0.2 30,-0.2 -0.789 12.6 169.7-111.5 145.8 3.0 5.9 -20.2 33 36 A V E -c 62 0A 6 28,-1.1 30,-2.4 -2,-0.3 2,-0.4 -0.972 19.3-145.0-144.6 159.7 3.1 2.3 -21.3 34 37 A T E -c 63 0A 43 -2,-0.3 10,-2.3 28,-0.2 2,-0.3 -0.948 8.7-168.8-133.6 120.9 1.2 -0.9 -20.7 35 38 A I E +c 64 0A 0 28,-2.8 30,-0.9 -2,-0.4 2,-0.3 -0.744 14.5 173.8 -93.9 147.4 2.6 -4.4 -20.5 36 39 A K E -c 65 0A 66 -2,-0.3 10,-2.2 28,-0.2 2,-0.2 -0.984 35.4 -88.9-150.1 163.8 0.2 -7.4 -20.5 37 40 A Y B -j 46 0B 36 28,-0.6 10,-0.2 -2,-0.3 2,-0.1 -0.457 43.7-154.8 -79.6 139.9 0.5 -11.2 -20.6 38 41 A S + 0 0 18 8,-1.1 -1,-0.1 -2,-0.2 8,-0.0 -0.375 59.1 45.4-110.4-177.0 0.6 -13.0 -24.0 39 42 A N S S+ 0 0 156 -2,-0.1 -1,-0.2 1,-0.1 2,-0.0 0.951 81.0 143.9 34.9 73.7 -0.2 -16.4 -25.6 40 43 A D 0 0 59 -3,-0.1 -2,-0.1 102,-0.1 -1,-0.1 0.052 360.0 360.0-105.7-152.0 -3.6 -16.7 -23.9 41 44 A N 0 0 166 -2,-0.0 -2,-0.0 103,-0.0 -1,-0.0 0.255 360.0 360.0 -27.4 360.0 -7.2 -18.0 -24.7 42 ! 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 43 60 A A 0 0 108 0, 0.0 -8,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 140.9 1.0 -0.5 -24.8 44 61 A L - 0 0 70 -10,-2.3 2,-0.3 12,-0.0 -8,-0.1 -0.278 360.0-134.6-102.5-173.2 3.4 -3.5 -25.2 45 62 A E + 0 0 123 -10,-0.2 2,-0.3 -2,-0.1 -8,-0.2 -0.945 32.7 144.0-152.6 121.8 3.0 -7.3 -24.8 46 63 A A B -j 37 0B 8 -10,-2.2 -8,-1.1 -2,-0.3 3,-0.1 -0.854 45.0-144.7-147.7-176.5 5.2 -9.8 -23.0 47 64 A T S S+ 0 0 56 1,-0.3 2,-0.3 -2,-0.3 -10,-0.1 0.398 98.3 36.1-128.0 -18.6 5.6 -12.9 -20.9 48 65 A K >> - 0 0 112 22,-0.1 3,-2.0 23,-0.1 4,-0.7 -0.913 68.4-149.8-142.0 111.2 8.6 -11.7 -18.9 49 66 A L H 3> S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.3 -1,-0.1 0.771 92.1 75.0 -46.6 -27.3 8.9 -8.1 -17.9 50 67 A C H 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.753 91.6 51.5 -66.3 -26.0 12.6 -8.6 -18.0 51 68 A D H X4 S+ 0 0 94 -3,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.989 107.7 49.1 -68.8 -61.0 12.8 -8.5 -21.8 52 69 A V H >X S+ 0 0 23 -4,-0.7 3,-2.4 1,-0.3 4,-1.5 0.692 83.1 98.0 -54.9 -24.7 10.8 -5.3 -22.4 53 70 A L T 3< S+ 0 0 24 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.733 75.5 61.4 -33.8 -43.6 12.9 -3.5 -19.9 54 71 A Q T <4 S+ 0 0 144 -3,-1.4 -1,-0.3 -4,-0.2 3,-0.3 0.846 111.6 32.7 -57.7 -43.4 15.1 -2.1 -22.7 55 72 A S T X4 S+ 0 0 85 -3,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.910 112.7 56.5 -87.9 -46.2 12.3 -0.2 -24.5 56 73 A I G >< S+ 0 0 0 -4,-1.5 3,-1.3 1,-0.3 -1,-0.2 0.353 79.8 107.2 -61.3 9.3 10.1 0.9 -21.6 57 74 A T G 3 S+ 0 0 54 -5,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.657 77.7 44.6 -68.0 -13.5 13.4 2.3 -20.4 58 75 A D G < S+ 0 0 109 -3,-1.2 2,-0.5 0, 0.0 -1,-0.3 0.273 89.6 100.4-116.1 9.7 12.1 5.9 -21.2 59 76 A F < - 0 0 61 -3,-1.3 -27,-0.2 1,-0.1 -26,-0.1 -0.855 52.2-160.6-102.3 129.8 8.6 5.7 -19.8 60 77 A S S S+ 0 0 35 -2,-0.5 26,-2.7 -29,-0.3 2,-0.4 0.813 80.2 46.4 -74.4 -33.1 7.8 7.3 -16.4 61 78 A V E -cd 32 86A 0 -30,-3.0 -28,-1.1 24,-0.2 2,-0.4 -0.910 63.6-176.2-118.3 142.1 4.6 5.3 -15.9 62 79 A I E -cd 33 87A 0 24,-2.4 26,-3.2 -2,-0.4 2,-0.3 -0.997 4.8-165.7-137.1 129.9 4.0 1.5 -16.5 63 80 A G E -cd 34 88A 0 -30,-2.4 -28,-2.8 -2,-0.4 26,-0.2 -0.820 2.6-172.7-109.8 155.1 0.8 -0.4 -16.2 64 81 A I E > -cd 35 89A 0 24,-1.2 26,-1.9 -2,-0.3 3,-0.5 -0.655 7.4-162.4-149.1 91.5 0.4 -4.2 -16.0 65 82 A D E 3 S+cd 36 90A 34 -30,-0.9 -28,-0.6 1,-0.2 26,-0.2 -0.547 84.6 17.7 -70.0 139.5 -2.9 -6.0 -16.1 66 83 A E T > S+ 0 0 53 24,-0.6 3,-1.1 -2,-0.2 25,-0.3 0.947 74.0 172.1 64.8 56.0 -2.6 -9.6 -14.8 67 84 A G G X + 0 0 0 23,-2.2 3,-2.6 -3,-0.5 24,-0.2 0.829 64.2 72.9 -62.3 -33.5 0.7 -9.0 -13.0 68 85 A Q G 3 S+ 0 0 0 1,-0.3 -1,-0.2 22,-0.1 5,-0.1 0.754 84.5 68.5 -58.8 -27.5 0.7 -12.4 -11.4 69 86 A F G < S+ 0 0 20 -3,-1.1 -1,-0.3 3,-0.1 -2,-0.2 0.654 83.7 82.4 -69.0 -18.4 1.5 -14.1 -14.6 70 87 A F X - 0 0 0 -3,-2.6 3,-0.8 -4,-0.2 4,-0.2 -0.797 60.2-167.7 -87.6 118.9 4.9 -12.5 -14.6 71 88 A P T 3 S+ 0 0 77 0, 0.0 3,-0.3 0, 0.0 2,-0.3 0.926 92.1 53.8 -65.7 -43.7 7.3 -14.6 -12.5 72 89 A D T 3> S+ 0 0 18 1,-0.2 4,-0.9 -3,-0.1 5,-0.2 0.025 82.2 112.3 -79.0 29.8 9.8 -11.7 -12.6 73 90 A I H X> + 0 0 0 -3,-0.8 4,-1.7 -2,-0.3 3,-1.4 0.992 65.4 49.3 -69.1 -79.9 7.1 -9.4 -11.3 74 91 A V H 3> S+ 0 0 19 29,-0.4 4,-2.6 -3,-0.3 5,-0.1 0.756 116.6 39.3 -18.0 -82.9 8.2 -8.3 -7.8 75 92 A E H 3> S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.694 115.4 54.4 -52.7 -30.6 11.9 -7.3 -8.7 76 93 A F H <>S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.2 5,-1.4 0.915 106.8 50.6 -54.3 -49.4 11.7 0.2 -11.9 81 98 A A H ><5S+ 0 0 0 -4,-2.7 3,-2.4 -3,-0.4 -1,-0.2 0.907 103.4 60.5 -55.5 -42.5 10.2 2.2 -9.1 82 99 A N H 3<5S+ 0 0 87 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.644 99.1 58.2 -62.9 -13.3 13.7 2.7 -7.6 83 100 A E T <<5S- 0 0 92 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.129 130.9 -94.0-100.3 18.5 14.6 4.4 -10.9 84 101 A G T < 5S+ 0 0 45 -3,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.670 81.2 138.6 81.4 18.8 11.8 7.0 -10.4 85 102 A K < - 0 0 29 -5,-1.4 -83,-1.2 -4,-0.2 2,-0.6 -0.829 52.6-130.3-105.2 136.6 9.1 5.1 -12.3 86 103 A I E -ad 2 61A 21 -26,-2.7 -24,-2.4 -2,-0.4 2,-0.7 -0.696 24.3-166.6 -79.1 117.1 5.4 4.8 -11.3 87 104 A V E -ad 3 62A 0 -85,-2.3 -83,-2.8 -2,-0.6 2,-0.7 -0.924 5.4-172.0-112.5 113.8 4.4 1.2 -11.6 88 105 A I E -ad 4 63A 0 -26,-3.2 -24,-1.2 -2,-0.7 2,-0.5 -0.925 12.0-168.5-106.0 115.4 0.7 0.6 -11.4 89 106 A V E -ad 5 64A 0 -85,-1.8 -83,-2.2 -2,-0.7 2,-0.5 -0.889 14.9-169.9-112.6 131.5 -0.0 -3.1 -11.2 90 107 A A E +ad 6 65A 0 -26,-1.9 -23,-2.2 -2,-0.5 -24,-0.6 -0.973 30.5 136.4-111.7 129.2 -3.3 -4.9 -11.6 91 108 A A - 0 0 0 -85,-2.0 2,-0.5 -2,-0.5 -83,-0.2 -0.968 52.7 -94.5-159.0 168.5 -3.4 -8.6 -10.6 92 109 A L - 0 0 16 -2,-0.3 9,-0.3 -85,-0.2 12,-0.1 -0.850 19.9-157.2 -96.1 131.0 -5.2 -11.4 -8.8 93 110 A D S S+ 0 0 7 -2,-0.5 8,-2.6 -85,-0.3 2,-0.3 0.940 75.5 24.5 -67.3 -47.5 -4.3 -12.1 -5.2 94 111 A G B S-K 100 0C 5 6,-0.3 37,-0.1 520,-0.1 -1,-0.1 -0.828 72.0-124.5-127.0 160.8 -5.6 -15.6 -5.2 95 112 A T > - 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