==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 29-SEP-10 3P0Q . COMPND 2 MOLECULE: TANKYRASE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KARLBERG,M.I.SIPONEN,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA,R . 416 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 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 . 47 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 2 0 0 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 4 0 2 4 0 2 4 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 0 0 0 0 0 0 2 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 1 952 A G 0 0 98 0, 0.0 2,-0.4 0, 0.0 51,-0.4 0.000 360.0 360.0 360.0 1.3 -11.6 12.5 -9.5 2 953 A T - 0 0 21 49,-0.1 2,-0.4 88,-0.1 49,-0.2 -0.645 360.0-176.6 -85.5 133.3 -13.3 9.6 -11.3 3 954 A I E -A 50 0A 104 47,-2.7 47,-2.7 -2,-0.4 2,-0.5 -0.962 14.2-147.4-119.4 142.5 -16.3 10.1 -13.4 4 955 A L E -A 49 0A 58 -2,-0.4 2,-0.6 45,-0.2 45,-0.2 -0.946 10.4-164.3-111.2 120.7 -18.2 7.3 -15.2 5 956 A I E -A 48 0A 85 43,-2.5 43,-2.9 -2,-0.5 2,-0.2 -0.917 16.9-132.1-107.2 119.8 -19.9 8.1 -18.5 6 957 A D E -A 47 0A 80 -2,-0.6 2,-0.4 41,-0.2 41,-0.2 -0.434 16.4-142.3 -65.9 134.5 -22.5 5.7 -19.9 7 958 A L - 0 0 20 39,-2.7 39,-0.4 -2,-0.2 -1,-0.1 -0.803 17.1-121.3 -96.9 142.2 -22.2 4.7 -23.4 8 959 A S > - 0 0 55 -2,-0.4 3,-2.2 1,-0.1 6,-0.4 -0.568 15.2-126.8 -74.6 143.3 -25.3 4.3 -25.5 9 960 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.710 112.8 59.8 -59.7 -18.8 -25.8 0.8 -27.1 10 961 A D T 3 S+ 0 0 141 4,-0.1 2,-0.3 5,-0.0 -2,-0.0 0.507 83.9 101.6 -81.9 -8.9 -26.2 2.8 -30.4 11 962 A D S <> S- 0 0 54 -3,-2.2 4,-2.3 1,-0.1 3,-0.3 -0.611 74.7-135.8 -83.9 135.1 -22.7 4.2 -30.0 12 963 A K H > S+ 0 0 167 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.780 106.3 58.5 -61.7 -23.1 -20.0 2.6 -32.2 13 964 A E H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 105.8 47.3 -74.7 -40.3 -17.7 2.6 -29.1 14 965 A F H > S+ 0 0 11 -6,-0.4 4,-2.9 -3,-0.3 5,-0.2 0.933 113.7 50.3 -60.4 -46.5 -20.2 0.5 -27.1 15 966 A Q H X S+ 0 0 105 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.888 109.2 47.7 -66.3 -40.5 -20.5 -1.8 -30.0 16 967 A S H X S+ 0 0 74 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.875 113.7 48.3 -69.9 -35.7 -16.8 -2.4 -30.5 17 968 A V H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.924 112.1 49.7 -67.0 -41.6 -16.2 -3.0 -26.8 18 969 A E H X S+ 0 0 60 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.899 107.9 53.8 -63.0 -44.5 -19.2 -5.4 -26.6 19 970 A E H X S+ 0 0 119 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.878 108.2 49.3 -59.9 -40.8 -17.9 -7.3 -29.6 20 971 A E H X S+ 0 0 74 -4,-1.5 4,-0.8 2,-0.2 94,-0.4 0.904 112.1 50.0 -61.0 -44.3 -14.4 -7.8 -27.9 21 972 A M H < S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.944 117.9 36.4 -54.4 -51.2 -16.2 -9.0 -24.8 22 973 A Q H >< S+ 0 0 40 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.867 114.1 53.9 -78.1 -37.7 -18.4 -11.6 -26.6 23 974 A S H 3< S+ 0 0 68 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.586 103.8 56.0 -77.9 -11.8 -16.0 -12.8 -29.3 24 975 A T T 3< S+ 0 0 12 -4,-0.8 91,-0.8 -3,-0.5 2,-0.3 0.125 75.6 120.4-107.1 13.9 -13.2 -13.7 -26.8 25 976 A V < + 0 0 29 -3,-1.1 2,-0.3 89,-0.2 14,-0.0 -0.653 38.4 169.9 -67.6 132.3 -15.3 -16.1 -24.7 26 977 A R - 0 0 33 -2,-0.3 2,-0.2 87,-0.0 -2,-0.1 -0.913 38.7 -93.9-132.6 170.2 -13.7 -19.6 -24.7 27 978 A E - 0 0 167 -2,-0.3 2,-0.3 10,-0.1 155,-0.1 -0.583 41.9-138.9 -79.4 149.9 -14.3 -22.8 -22.9 28 979 A H > - 0 0 27 -2,-0.2 3,-1.6 1,-0.1 4,-0.1 -0.845 16.4-120.9-116.6 151.7 -12.1 -23.3 -19.8 29 980 A R T 3 S+ 0 0 57 -2,-0.3 185,-2.6 1,-0.3 -1,-0.1 0.671 108.0 67.1 -72.9 -14.3 -10.3 -26.4 -18.6 30 981 A D T > S- 0 0 19 183,-0.2 3,-1.6 1,-0.0 -1,-0.3 0.318 107.9-120.9 -82.6 8.6 -12.1 -26.3 -15.3 31 982 A G T < S- 0 0 45 -3,-1.6 -2,-0.1 1,-0.3 182,-0.1 0.660 75.2 -51.0 60.2 17.8 -15.4 -27.1 -17.0 32 983 A G T 3> S+ 0 0 16 -4,-0.1 4,-2.3 5,-0.1 -1,-0.3 0.459 101.1 133.2 98.8 5.3 -16.8 -23.8 -15.6 33 984 A H T <4 S+ 0 0 79 -3,-1.6 103,-0.1 1,-0.2 -2,-0.1 0.901 77.2 31.6 -55.4 -50.5 -15.8 -24.2 -12.0 34 985 A A T 4 S+ 0 0 8 1,-0.1 -1,-0.2 2,-0.1 88,-0.2 0.904 136.3 18.2 -75.8 -47.5 -14.2 -20.8 -11.5 35 986 A G T 4 S- 0 0 4 1,-0.3 -2,-0.2 102,-0.1 -1,-0.1 0.452 106.8-108.7-108.6 -8.5 -16.2 -18.5 -13.8 36 987 A G < - 0 0 7 -4,-2.3 2,-0.6 83,-0.1 -1,-0.3 -0.223 38.0 -64.9 97.6 168.5 -19.4 -20.4 -14.6 37 988 A I S S+ 0 0 95 100,-0.1 2,-0.3 -4,-0.1 -5,-0.1 -0.882 74.2 119.5-100.9 121.0 -20.9 -22.2 -17.5 38 989 A F - 0 0 19 -2,-0.6 169,-0.1 169,-0.2 3,-0.1 -0.965 48.1-155.4-171.8 155.2 -21.7 -19.9 -20.5 39 990 A N S S+ 0 0 106 167,-0.5 2,-0.3 1,-0.3 -14,-0.2 0.424 83.5 7.2-111.9 -11.3 -21.0 -19.2 -24.1 40 991 A R - 0 0 132 166,-0.4 166,-2.2 -17,-0.0 -1,-0.3 -0.965 69.7-115.2-163.8 168.8 -21.9 -15.5 -24.1 41 992 A Y E - B 0 205A 4 -2,-0.3 2,-0.7 164,-0.2 164,-0.2 -0.755 13.1-132.1-112.6 156.9 -22.9 -12.6 -21.9 42 993 A N E - B 0 204A 65 162,-2.8 162,-1.7 -2,-0.3 2,-0.5 -0.948 31.8-148.3 -99.2 107.4 -25.8 -10.3 -21.4 43 994 A I E + B 0 203A 19 -2,-0.7 160,-0.2 160,-0.2 3,-0.1 -0.693 22.5 175.2 -82.6 124.6 -24.2 -6.8 -21.4 44 995 A L E - 0 0 69 158,-2.8 2,-0.3 -2,-0.5 159,-0.2 0.806 62.2 -4.7 -97.5 -39.4 -26.1 -4.5 -19.1 45 996 A K E - B 0 202A 78 157,-1.8 157,-2.8 -37,-0.0 2,-0.4 -0.990 47.7-160.4-158.0 142.5 -23.9 -1.4 -19.2 46 997 A I E - B 0 201A 0 -39,-0.4 -39,-2.7 -2,-0.3 2,-0.4 -0.975 20.3-175.1-127.7 119.2 -20.6 -0.1 -20.6 47 998 A Q E -AB 6 200A 25 153,-2.7 153,-2.9 -2,-0.4 2,-0.4 -0.926 22.1-131.8-111.5 136.0 -19.2 3.0 -18.9 48 999 A K E -AB 5 199A 63 -43,-2.9 -43,-2.5 -2,-0.4 2,-0.6 -0.717 22.0-138.1 -81.8 135.1 -16.1 5.0 -19.9 49 1000 A V E -A 4 0A 2 149,-2.4 2,-0.5 -2,-0.4 -45,-0.2 -0.860 21.2-172.4-100.9 117.7 -13.8 5.7 -16.9 50 1001 A C E +A 3 0A 52 -47,-2.7 -47,-2.7 -2,-0.6 2,-0.3 -0.953 19.9 147.9-120.1 117.1 -12.5 9.3 -16.9 51 1002 A N > - 0 0 12 -2,-0.5 4,-2.5 -49,-0.2 5,-0.2 -0.853 27.6-161.7-147.7 110.4 -9.9 10.4 -14.4 52 1003 A K H > S+ 0 0 152 -51,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.921 91.6 48.8 -63.0 -45.1 -7.4 13.0 -15.4 53 1004 A K H > S+ 0 0 162 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 114.5 45.2 -59.9 -45.8 -4.8 12.2 -12.7 54 1005 A L H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 113.3 51.2 -66.4 -37.5 -4.9 8.5 -13.4 55 1006 A W H X S+ 0 0 85 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.902 110.6 48.3 -64.7 -42.6 -4.7 9.1 -17.2 56 1007 A E H X S+ 0 0 95 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.885 109.2 52.4 -68.4 -39.3 -1.7 11.4 -16.8 57 1008 A R H X S+ 0 0 75 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.905 112.1 47.9 -56.7 -46.4 0.0 8.9 -14.6 58 1009 A Y H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.957 112.8 46.0 -58.4 -53.6 -0.6 6.2 -17.4 59 1010 A T H X S+ 0 0 37 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.843 108.5 56.5 -66.0 -29.0 0.7 8.4 -20.2 60 1011 A H H X S+ 0 0 124 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.961 112.7 41.0 -63.9 -46.6 3.8 9.5 -18.3 61 1012 A R H X S+ 0 0 11 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.878 111.1 58.0 -68.9 -38.3 4.9 5.9 -17.8 62 1013 A R H X S+ 0 0 71 -4,-2.7 4,-3.0 131,-0.2 -1,-0.2 0.903 106.1 48.7 -59.0 -45.2 3.8 5.0 -21.4 63 1014 A K H X S+ 0 0 123 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.915 110.2 51.7 -62.3 -41.7 6.3 7.7 -22.7 64 1015 A E H X S+ 0 0 75 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.922 112.9 44.5 -60.3 -46.3 9.1 6.3 -20.5 65 1016 A V H >< S+ 0 0 0 -4,-2.6 3,-0.8 2,-0.2 4,-0.4 0.947 111.8 53.6 -61.1 -47.5 8.5 2.8 -21.8 66 1017 A S H ><>S+ 0 0 26 -4,-3.0 5,-2.1 1,-0.3 3,-1.7 0.906 107.4 50.2 -52.1 -47.2 8.2 4.0 -25.4 67 1018 A E H 3<5S+ 0 0 120 -4,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.734 109.8 51.2 -70.6 -22.9 11.6 5.8 -25.2 68 1019 A E T <<5S+ 0 0 125 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.376 113.1 47.4 -85.3 -1.5 13.2 2.6 -23.8 69 1020 A N T X 5S- 0 0 17 -3,-1.7 3,-1.2 -4,-0.4 -1,-0.2 -0.407 126.2 -81.7-143.6 58.7 11.8 0.5 -26.7 70 1021 A H T 3 5S- 0 0 148 -3,-0.3 -3,-0.2 1,-0.3 -4,-0.1 0.834 91.0 -56.0 44.9 45.2 12.4 2.3 -29.9 71 1022 A N T 3 - 0 0 11 62,-0.5 3,-1.0 -2,-0.4 39,-0.2 -0.972 56.8-128.9-163.3 146.8 -11.2 -8.5 -9.8 83 1034 A P T 3 S+ 0 0 74 0, 0.0 3,-0.3 0, 0.0 38,-0.1 0.597 109.9 65.2 -70.5 -8.7 -13.3 -8.1 -6.7 84 1035 A F T 3> + 0 0 103 1,-0.2 4,-2.2 2,-0.1 3,-0.3 0.059 59.6 121.5-102.1 22.9 -11.5 -4.7 -6.4 85 1036 A V H <> S+ 0 0 7 -3,-1.0 4,-2.3 1,-0.2 5,-0.2 0.852 72.9 56.4 -54.0 -37.5 -12.9 -3.1 -9.5 86 1037 A N H > S+ 0 0 111 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.928 109.5 43.5 -65.0 -42.9 -14.3 -0.2 -7.4 87 1038 A A H > S+ 0 0 34 -3,-0.3 4,-3.1 1,-0.2 5,-0.4 0.859 112.6 55.3 -65.1 -36.1 -11.0 0.7 -5.9 88 1039 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.940 106.8 47.0 -65.4 -45.3 -9.2 0.4 -9.3 89 1040 A I H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.782 120.5 39.2 -72.8 -22.6 -11.5 2.8 -11.1 90 1041 A H H < S+ 0 0 83 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.833 133.3 17.4 -90.8 -36.7 -11.2 5.4 -8.2 91 1042 A K H < S- 0 0 133 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.454 103.2-116.8-120.0 -4.5 -7.5 5.1 -7.2 92 1043 A G < - 0 0 1 -4,-2.2 2,-0.3 -5,-0.4 -1,-0.2 -0.112 46.3 -50.4 93.6 166.8 -5.7 3.3 -10.1 93 1044 A F + 0 0 0 99,-0.5 2,-0.3 102,-0.4 102,-0.1 -0.592 69.6 151.1 -70.9 140.2 -4.0 -0.0 -10.2 94 1045 A D > - 0 0 17 -2,-0.3 3,-2.8 98,-0.1 4,-0.3 -0.925 61.2 -66.1-153.1-177.7 -1.4 -0.6 -7.5 95 1046 A E G > S+ 0 0 135 1,-0.3 3,-1.6 -2,-0.3 -2,-0.0 0.760 122.5 66.4 -44.2 -35.5 0.3 -3.3 -5.4 96 1047 A R G 3 S+ 0 0 132 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.582 99.0 53.9 -66.0 -11.3 -3.0 -4.2 -3.6 97 1048 A H G < S+ 0 0 13 -3,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.375 84.8 114.3-103.8 3.2 -4.4 -5.4 -7.0 98 1049 A A < - 0 0 18 -3,-1.6 2,-0.8 -4,-0.3 10,-0.2 -0.353 69.3-129.9 -71.6 148.3 -1.5 -7.8 -7.6 99 1050 A Y B > -I 107 0B 53 8,-3.1 3,-1.7 6,-0.2 8,-0.9 -0.906 22.7-167.1 -97.9 96.3 -2.1 -11.6 -7.7 100 1051 A I T 3 S+ 0 0 118 -2,-0.8 -1,-0.2 1,-0.3 6,-0.1 0.893 83.2 45.4 -58.8 -37.1 0.7 -12.6 -5.3 101 1052 A G T 3 S+ 0 0 42 -3,-0.1 -1,-0.3 4,-0.1 5,-0.1 0.198 82.5 135.6 -93.2 17.2 0.4 -16.3 -6.3 102 1053 A G X - 0 0 7 -3,-1.7 3,-2.2 3,-0.2 153,-0.0 -0.233 68.6-109.8 -66.5 160.2 0.3 -16.0 -10.1 103 1054 A M T 3 S+ 0 0 35 1,-0.3 -1,-0.1 2,-0.0 3,-0.1 0.616 120.7 42.9 -60.0 -20.3 2.3 -18.2 -12.4 104 1055 A F T 3 S- 0 0 30 1,-0.5 -1,-0.3 150,-0.1 -2,-0.1 0.044 122.3-102.4-117.6 21.9 4.5 -15.3 -13.4 105 1056 A G < - 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