==== 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 3P0N . 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 . 415 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 21.0 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 . 48 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.0 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 . 3 0.7 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 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 PARALLEL BRIDGES PER LADDER . 3 0 1 5 0 2 2 2 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 96 0, 0.0 2,-0.4 0, 0.0 51,-0.4 0.000 360.0 360.0 360.0 -0.1 -11.8 12.3 -9.5 2 953 A T - 0 0 22 49,-0.1 2,-0.4 88,-0.1 49,-0.2 -0.697 360.0-175.9 -91.2 132.3 -13.4 9.4 -11.4 3 954 A I E -A 50 0A 106 47,-2.6 47,-3.0 -2,-0.4 2,-0.5 -0.956 13.0-149.6-118.6 140.6 -16.5 10.0 -13.5 4 955 A L E -A 49 0A 58 -2,-0.4 2,-0.6 45,-0.2 45,-0.2 -0.970 9.5-163.5-109.4 125.2 -18.3 7.2 -15.2 5 956 A I E -A 48 0A 87 43,-2.4 43,-3.0 -2,-0.5 2,-0.2 -0.921 16.8-131.1-111.3 121.5 -20.1 8.0 -18.5 6 957 A D E -A 47 0A 82 -2,-0.6 2,-0.4 41,-0.2 41,-0.2 -0.485 17.2-142.5 -66.2 132.9 -22.7 5.6 -19.9 7 958 A L - 0 0 19 39,-2.5 39,-0.4 -2,-0.2 -1,-0.0 -0.800 17.2-121.3 -93.7 138.0 -22.3 4.6 -23.4 8 959 A S > - 0 0 59 -2,-0.4 3,-2.3 1,-0.1 6,-0.4 -0.533 16.9-125.4 -68.0 142.8 -25.4 4.2 -25.5 9 960 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.707 112.8 60.0 -60.8 -16.3 -25.9 0.7 -27.1 10 961 A D T 3 S+ 0 0 141 4,-0.1 2,-0.3 5,-0.0 -2,-0.0 0.450 82.3 102.6 -88.4 -4.0 -26.2 2.6 -30.4 11 962 A D S <> S- 0 0 53 -3,-2.3 4,-2.4 1,-0.1 3,-0.3 -0.643 73.8-137.3 -82.7 133.0 -22.7 4.1 -30.0 12 963 A K H > S+ 0 0 159 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.773 106.4 58.9 -59.4 -26.4 -20.0 2.3 -32.2 13 964 A E H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 106.3 46.3 -71.5 -39.1 -17.7 2.5 -29.1 14 965 A F H > S+ 0 0 14 -6,-0.4 4,-2.9 -3,-0.3 -2,-0.2 0.936 113.9 50.6 -61.0 -44.9 -20.2 0.5 -27.1 15 966 A Q H X S+ 0 0 104 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.863 109.0 47.8 -68.9 -37.0 -20.6 -1.9 -29.9 16 967 A S H X S+ 0 0 77 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.904 113.7 48.6 -71.8 -36.4 -16.8 -2.5 -30.5 17 968 A V H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.942 112.0 49.4 -64.9 -46.5 -16.3 -3.1 -26.7 18 969 A E H X S+ 0 0 58 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.908 108.9 52.8 -58.6 -44.2 -19.3 -5.5 -26.5 19 970 A E H X S+ 0 0 119 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.882 108.4 49.5 -65.0 -37.5 -17.9 -7.4 -29.5 20 971 A E H X S+ 0 0 73 -4,-1.8 4,-0.9 2,-0.2 94,-0.4 0.908 112.2 49.8 -64.6 -41.6 -14.5 -7.9 -27.9 21 972 A M H >< S+ 0 0 0 -4,-2.3 3,-0.6 2,-0.2 93,-0.2 0.965 117.8 37.2 -54.3 -53.6 -16.2 -9.1 -24.8 22 973 A Q H >< S+ 0 0 40 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.887 114.4 53.8 -74.0 -40.9 -18.4 -11.7 -26.5 23 974 A S H 3< S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.581 103.3 56.2 -75.9 -12.2 -16.0 -12.8 -29.2 24 975 A T T << S+ 0 0 10 -4,-0.9 91,-0.8 -3,-0.6 2,-0.3 0.130 75.9 119.6-107.9 14.5 -13.2 -13.7 -26.7 25 976 A V < + 0 0 28 -3,-1.2 2,-0.3 89,-0.2 14,-0.0 -0.637 38.2 168.9 -68.1 138.4 -15.3 -16.2 -24.6 26 977 A R - 0 0 34 -2,-0.3 2,-0.2 12,-0.1 12,-0.1 -0.919 39.2 -92.4-139.0 170.8 -13.8 -19.7 -24.6 27 978 A E - 0 0 167 -2,-0.3 2,-0.3 10,-0.1 154,-0.1 -0.597 42.1-137.2 -80.2 149.4 -14.3 -22.9 -22.8 28 979 A H > - 0 0 27 -2,-0.2 3,-1.8 1,-0.1 5,-0.1 -0.838 14.7-124.7-114.5 149.0 -12.1 -23.4 -19.7 29 980 A R T 3 S+ 0 0 71 -2,-0.3 184,-2.5 1,-0.3 -1,-0.1 0.607 107.7 66.2 -71.0 -15.8 -10.2 -26.5 -18.6 30 981 A D T > S- 0 0 20 182,-0.2 3,-1.4 184,-0.0 -1,-0.3 0.319 109.3-121.5 -82.3 7.3 -12.0 -26.4 -15.1 31 982 A G T < S- 0 0 42 -3,-1.8 -2,-0.1 1,-0.3 183,-0.1 0.676 73.0 -49.8 62.0 20.7 -15.3 -27.1 -16.9 32 983 A G T 3> S+ 0 0 13 5,-0.1 4,-2.1 -4,-0.1 -1,-0.3 0.479 101.3 131.6 100.3 2.8 -16.7 -23.8 -15.5 33 984 A H T <4 S+ 0 0 76 -3,-1.4 103,-0.1 1,-0.2 -2,-0.1 0.938 78.3 31.9 -56.2 -47.7 -15.7 -24.3 -11.9 34 985 A A T 4 S+ 0 0 9 1,-0.1 -1,-0.2 2,-0.1 88,-0.2 0.900 136.6 17.4 -78.7 -44.3 -14.1 -20.9 -11.4 35 986 A G T 4 S- 0 0 3 1,-0.3 -2,-0.2 102,-0.1 -1,-0.1 0.491 106.8-106.1-111.4 -10.3 -16.2 -18.6 -13.7 36 987 A G < - 0 0 7 -4,-2.1 2,-0.6 83,-0.1 -1,-0.3 -0.211 38.7 -66.2 101.3 165.9 -19.3 -20.5 -14.4 37 988 A I S S+ 0 0 97 100,-0.1 2,-0.3 -4,-0.1 -5,-0.1 -0.861 74.7 117.1 -98.7 116.7 -20.8 -22.4 -17.4 38 989 A F - 0 0 19 -2,-0.6 168,-0.1 168,-0.1 3,-0.1 -0.957 48.6-155.5-169.0 159.6 -21.6 -20.1 -20.3 39 990 A N S S+ 0 0 105 166,-0.5 2,-0.3 -2,-0.3 -14,-0.2 0.442 83.3 11.0-114.1 -13.5 -20.9 -19.3 -24.0 40 991 A R - 0 0 128 165,-0.4 165,-2.0 -17,-0.0 2,-0.3 -0.962 69.3-117.9-158.7 170.0 -21.9 -15.7 -24.0 41 992 A Y E - B 0 204A 4 -2,-0.3 2,-0.7 163,-0.2 163,-0.2 -0.801 13.1-132.1-114.7 157.1 -22.9 -12.7 -21.9 42 993 A N E - B 0 203A 63 161,-2.8 161,-1.9 -2,-0.3 2,-0.5 -0.948 31.7-148.9 -98.1 107.0 -25.9 -10.5 -21.3 43 994 A I E + B 0 202A 21 -2,-0.7 159,-0.3 159,-0.2 3,-0.1 -0.689 22.2 175.1 -82.0 125.1 -24.2 -7.0 -21.4 44 995 A L E - 0 0 67 157,-2.9 2,-0.3 -2,-0.5 158,-0.2 0.774 61.6 -5.4 -98.6 -36.9 -26.2 -4.7 -19.1 45 996 A K E - B 0 201A 83 156,-1.8 156,-2.9 2,-0.0 2,-0.4 -0.983 47.6-159.7-160.1 145.0 -24.0 -1.5 -19.2 46 997 A I E - B 0 200A 0 -39,-0.4 -39,-2.5 -2,-0.3 2,-0.4 -0.977 19.8-174.0-129.7 119.6 -20.7 -0.2 -20.6 47 998 A Q E -AB 6 199A 27 152,-2.6 152,-2.7 -2,-0.4 2,-0.4 -0.919 22.7-129.8-112.3 138.4 -19.3 2.9 -18.9 48 999 A K E -AB 5 198A 62 -43,-3.0 -43,-2.4 -2,-0.4 2,-0.6 -0.722 23.2-138.9 -78.4 131.8 -16.3 5.0 -19.9 49 1000 A V E -A 4 0A 2 148,-2.4 2,-0.5 -2,-0.4 -45,-0.2 -0.883 21.9-173.4 -98.5 120.3 -14.0 5.6 -16.9 50 1001 A C E +A 3 0A 49 -47,-3.0 -47,-2.6 -2,-0.6 2,-0.3 -0.951 20.1 146.6-122.6 118.8 -12.6 9.1 -16.8 51 1002 A N > - 0 0 11 -2,-0.5 4,-2.2 -49,-0.2 5,-0.2 -0.855 28.2-160.9-151.0 110.0 -10.0 10.3 -14.3 52 1003 A K H > S+ 0 0 151 -51,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.910 91.4 49.4 -62.0 -45.9 -7.5 12.9 -15.4 53 1004 A K H > S+ 0 0 160 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 114.1 44.8 -59.9 -45.6 -4.9 12.2 -12.7 54 1005 A L H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.845 112.9 51.8 -67.8 -35.7 -4.9 8.4 -13.4 55 1006 A W H X S+ 0 0 84 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.913 110.6 48.2 -66.0 -42.1 -4.8 9.0 -17.2 56 1007 A E H X S+ 0 0 94 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.889 108.9 53.3 -68.4 -38.4 -1.8 11.3 -16.8 57 1008 A R H X S+ 0 0 76 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.912 112.0 46.9 -55.1 -48.2 -0.1 8.7 -14.6 58 1009 A Y H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.955 113.3 46.5 -60.2 -51.4 -0.6 6.1 -17.3 59 1010 A T H X S+ 0 0 38 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.844 108.8 55.7 -68.8 -28.8 0.6 8.3 -20.2 60 1011 A H H X S+ 0 0 122 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.951 113.1 41.1 -64.9 -47.3 3.7 9.4 -18.2 61 1012 A R H X S+ 0 0 14 -4,-1.8 4,-2.4 131,-0.2 -2,-0.2 0.888 110.3 59.3 -68.6 -34.6 4.8 5.8 -17.7 62 1013 A R H X S+ 0 0 71 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.906 106.0 47.7 -60.5 -43.7 3.8 4.9 -21.3 63 1014 A K H X S+ 0 0 126 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.884 109.2 53.4 -64.3 -40.3 6.3 7.5 -22.6 64 1015 A E H X S+ 0 0 76 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.925 113.2 43.3 -60.7 -44.2 9.0 6.2 -20.3 65 1016 A V H >< S+ 0 0 0 -4,-2.4 3,-0.8 2,-0.2 4,-0.4 0.948 112.1 53.1 -65.3 -48.6 8.5 2.6 -21.7 66 1017 A S H ><>S+ 0 0 25 -4,-2.8 5,-2.1 1,-0.3 3,-1.9 0.922 107.6 51.6 -52.0 -47.3 8.2 3.8 -25.3 67 1018 A E H 3<5S+ 0 0 120 -4,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.777 109.3 50.4 -66.6 -24.2 11.5 5.6 -25.0 68 1019 A E T <<5S+ 0 0 123 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.412 113.7 47.9 -84.4 -2.3 13.1 2.5 -23.6 69 1020 A N T X 5S- 0 0 18 -3,-1.9 3,-1.2 -4,-0.4 -1,-0.2 -0.417 124.9 -83.4-143.1 55.2 11.8 0.4 -26.6 70 1021 A H T 3 5S- 0 0 152 -3,-0.4 -3,-0.2 1,-0.3 -4,-0.1 0.803 90.4 -55.6 42.3 48.6 12.4 2.3 -29.8 71 1022 A N T 3 - 0 0 11 62,-0.4 3,-1.1 -2,-0.4 39,-0.1 -0.954 56.3-126.1-164.9 145.7 -11.2 -8.5 -9.7 83 1034 A P T 3 S+ 0 0 71 0, 0.0 3,-0.3 0, 0.0 38,-0.1 0.681 113.1 61.0 -65.9 -12.1 -13.1 -8.2 -6.5 84 1035 A F T 3> + 0 0 106 1,-0.2 4,-2.4 2,-0.1 3,-0.3 0.098 61.8 122.6-101.4 20.6 -11.4 -4.7 -6.2 85 1036 A V H <> S+ 0 0 17 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.878 73.6 55.6 -50.7 -39.6 -12.8 -3.2 -9.5 86 1037 A N H > S+ 0 0 105 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.937 109.3 43.8 -65.4 -43.7 -14.3 -0.3 -7.4 87 1038 A A H >>S+ 0 0 38 -3,-0.3 4,-3.1 1,-0.2 5,-0.6 0.858 112.4 56.1 -63.6 -35.4 -10.9 0.7 -5.9 88 1039 A I H X5S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.944 107.3 45.3 -62.8 -47.1 -9.2 0.3 -9.2 89 1040 A I H <5S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.813 122.3 38.7 -74.0 -23.5 -11.5 2.7 -11.1 90 1041 A H H <5S+ 0 0 80 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.863 133.8 16.9 -88.2 -37.1 -11.2 5.3 -8.3 91 1042 A K H <5S- 0 0 155 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.517 104.0-118.0-122.7 -8.2 -7.6 5.0 -7.2 92 1043 A G << - 0 0 1 -4,-2.0 2,-0.2 -5,-0.6 -1,-0.2 -0.133 44.8 -48.8 96.6 169.1 -5.8 3.2 -10.0 93 1044 A F + 0 0 0 98,-0.4 2,-0.3 101,-0.4 101,-0.1 -0.562 68.9 149.0 -72.9 140.7 -4.0 -0.1 -10.2 94 1045 A D > - 0 0 19 -2,-0.2 3,-2.9 97,-0.1 4,-0.3 -0.906 61.1 -61.7-152.6-175.4 -1.4 -0.7 -7.5 95 1046 A E G > S+ 0 0 125 1,-0.3 3,-1.4 -2,-0.3 -2,-0.0 0.756 122.0 66.3 -41.2 -35.2 0.3 -3.5 -5.3 96 1047 A R G 3 S+ 0 0 157 1,-0.2 -1,-0.3 3,-0.0 -12,-0.0 0.605 98.9 52.0 -66.9 -16.3 -3.0 -4.5 -3.7 97 1048 A H G < S+ 0 0 16 -3,-2.9 12,-0.4 2,-0.1 -1,-0.2 0.355 87.2 110.0-101.6 5.7 -4.3 -5.7 -7.1 98 1049 A A S < S- 0 0 17 -3,-1.4 2,-0.9 -4,-0.3 10,-0.3 -0.404 72.7-122.7 -78.9 155.4 -1.2 -8.0 -7.8 99 1050 A Y > - 0 0 55 8,-3.2 3,-1.8 6,-0.3 8,-0.5 -0.845 23.0-168.9-105.6 97.4 -1.5 -11.7 -7.7 100 1051 A I T 3 S+ 0 0 131 -2,-0.9 -1,-0.2 1,-0.3 6,-0.1 0.936 86.8 40.8 -58.8 -48.2 1.0 -12.8 -5.0 101 1052 A G T 3 S+ 0 0 45 -3,-0.1 -1,-0.3 4,-0.1 5,-0.1 0.268 85.7 138.6 -81.7 14.1 0.7 -16.5 -5.9 102 1053 A G X - 0 0 8 -3,-1.8 3,-2.3 1,-0.1 152,-0.1 -0.245 62.5-124.2 -64.7 145.9 0.6 -16.0 -9.7 103 1054 A M T 3 S+ 0 0 33 1,-0.3 -1,-0.1 150,-0.0 3,-0.1 0.674 113.1 47.7 -70.5 -9.7 2.6 -18.4 -11.9 104 1055 A F T 3 S- 0 0 28 1,-0.4 -1,-0.3 3,-0.1 -2,-0.1 0.111 124.2 -94.8-108.5 23.5 4.4 -15.4 -13.4 105 1056 A G < - 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