==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-JUL-13 4LI6 . COMPND 2 MOLECULE: TANKYRASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.A.KIRBY,T.STAMS . 412 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 19.7 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 . 49 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 4 2 0 2 3 1 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 2 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 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 1105 A G 0 0 101 0, 0.0 51,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 153.4 -8.9 2.3 24.4 2 1106 A T - 0 0 32 49,-0.1 2,-0.4 50,-0.1 49,-0.2 -0.592 360.0-163.5 -80.8 133.8 -8.8 -0.8 22.2 3 1107 A I E -A 50 0A 98 47,-3.2 47,-3.0 -2,-0.3 2,-0.6 -0.956 8.0-149.0-112.2 135.3 -5.8 -3.1 22.4 4 1108 A L E -A 49 0A 62 -2,-0.4 2,-0.5 45,-0.2 45,-0.2 -0.929 6.7-154.7-104.9 121.4 -5.1 -5.7 19.6 5 1109 A L E -A 48 0A 75 43,-2.7 43,-2.6 -2,-0.6 2,-0.8 -0.838 15.5-135.9 -92.8 126.6 -3.4 -8.9 20.7 6 1110 A D E -A 47 0A 119 -2,-0.5 41,-0.2 41,-0.2 2,-0.2 -0.730 15.4-150.1 -89.4 109.7 -1.5 -10.5 17.9 7 1111 A L - 0 0 26 39,-2.0 39,-0.4 -2,-0.8 -1,-0.0 -0.537 16.8-124.0 -75.0 142.0 -2.1 -14.3 17.8 8 1112 A A > - 0 0 43 -2,-0.2 3,-2.0 1,-0.1 6,-0.4 -0.652 14.4-123.9 -85.5 144.3 0.8 -16.4 16.4 9 1113 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.748 111.9 57.2 -54.4 -28.1 0.1 -18.8 13.5 10 1114 A E T 3 S+ 0 0 145 4,-0.1 2,-0.3 5,-0.0 -3,-0.0 0.351 84.4 105.9 -90.3 5.5 1.4 -21.7 15.6 11 1115 A D S <> S- 0 0 63 -3,-2.0 4,-2.4 1,-0.1 5,-0.2 -0.676 73.3-134.6 -83.1 141.2 -1.1 -21.0 18.4 12 1116 A K H > S+ 0 0 157 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.806 107.0 55.8 -64.5 -28.5 -4.0 -23.5 18.7 13 1117 A E H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 107.5 46.7 -70.9 -47.4 -6.4 -20.5 19.1 14 1118 A Y H > S+ 0 0 19 -6,-0.4 4,-2.4 1,-0.2 5,-0.2 0.952 115.5 48.1 -52.8 -53.2 -5.2 -18.9 15.8 15 1119 A Q H X S+ 0 0 105 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.873 109.4 50.6 -60.6 -41.4 -5.6 -22.3 14.1 16 1120 A S H X S+ 0 0 47 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.884 111.8 48.9 -68.0 -35.2 -9.0 -23.1 15.5 17 1121 A V H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 112.8 46.0 -69.0 -43.2 -10.3 -19.7 14.3 18 1122 A E H X S+ 0 0 46 -4,-2.4 4,-3.5 1,-0.2 5,-0.2 0.912 112.1 52.1 -64.4 -41.2 -8.9 -20.0 10.8 19 1123 A E H X S+ 0 0 110 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.858 109.6 48.3 -66.0 -37.1 -10.3 -23.6 10.5 20 1124 A E H X S+ 0 0 86 -4,-1.8 4,-0.8 -5,-0.2 94,-0.3 0.922 115.5 46.5 -66.1 -42.0 -13.7 -22.4 11.6 21 1125 A M H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.929 117.1 41.7 -64.9 -45.5 -13.4 -19.7 9.0 22 1126 A Q H >< S+ 0 0 13 -4,-3.5 3,-0.9 1,-0.2 -2,-0.2 0.864 114.3 51.1 -72.0 -36.1 -12.1 -21.9 6.2 23 1127 A S H 3< S+ 0 0 68 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.580 103.0 58.8 -81.9 -9.3 -14.5 -24.8 6.8 24 1128 A T T 3< S+ 0 0 19 -4,-0.8 91,-0.7 -3,-0.4 -1,-0.2 0.188 72.8 122.0-108.4 16.5 -17.7 -22.8 6.9 25 1129 A I < + 0 0 33 -3,-0.9 2,-0.3 89,-0.2 14,-0.0 -0.560 39.5 172.0 -67.0 139.4 -17.3 -21.4 3.4 26 1130 A R - 0 0 45 -2,-0.2 2,-0.2 87,-0.0 -2,-0.1 -0.939 38.2 -87.9-142.5 169.4 -20.3 -22.4 1.2 27 1131 A E - 0 0 152 -2,-0.3 2,-0.4 2,-0.0 12,-0.0 -0.549 44.5-141.3 -72.3 142.8 -21.8 -21.7 -2.2 28 1132 A H > - 0 0 28 -2,-0.2 3,-2.0 1,-0.1 5,-0.1 -0.864 15.4-125.2-113.9 149.1 -24.1 -18.7 -2.2 29 1133 A R T 3 S+ 0 0 235 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.787 108.2 63.4 -56.3 -33.4 -27.4 -18.3 -4.1 30 1134 A D T > S- 0 0 55 1,-0.1 3,-1.9 2,-0.0 -1,-0.3 0.268 110.8-118.8 -82.4 11.1 -26.1 -15.1 -5.8 31 1135 A G T < S- 0 0 59 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.615 71.5 -53.3 67.3 12.4 -23.4 -17.1 -7.5 32 1136 A G T 3> S+ 0 0 17 5,-0.1 4,-2.3 -4,-0.0 -1,-0.3 0.447 101.0 132.5 102.5 3.0 -20.7 -15.1 -5.8 33 1137 A N T <4 S+ 0 0 88 -3,-1.9 -2,-0.1 1,-0.2 103,-0.1 0.909 75.4 33.5 -54.7 -51.1 -22.0 -11.7 -6.8 34 1138 A A T 4 S+ 0 0 2 1,-0.1 -1,-0.2 2,-0.1 88,-0.2 0.931 133.4 22.2 -74.3 -47.7 -21.8 -10.0 -3.4 35 1139 A G T 4 S- 0 0 4 1,-0.3 -2,-0.2 102,-0.1 -1,-0.1 0.580 105.3-115.3-103.8 -12.7 -18.7 -11.6 -1.9 36 1140 A G < - 0 0 8 -4,-2.3 2,-0.5 101,-0.1 -1,-0.3 -0.325 35.3 -63.0 102.6 173.9 -16.7 -12.9 -4.8 37 1141 A I S S+ 0 0 100 100,-0.1 2,-0.3 -2,-0.1 -5,-0.1 -0.888 71.0 122.5-105.4 121.1 -15.6 -16.3 -6.1 38 1142 A F - 0 0 19 -2,-0.5 165,-0.1 165,-0.1 3,-0.1 -0.981 46.5-155.0-168.0 159.6 -13.3 -18.4 -3.9 39 1143 A N S S+ 0 0 104 163,-0.6 2,-0.3 1,-0.4 -14,-0.1 0.427 85.1 14.4-118.2 -5.8 -12.9 -21.7 -2.1 40 1144 A R - 0 0 125 162,-0.4 162,-2.0 -17,-0.0 -1,-0.4 -0.981 69.0-125.4-165.7 152.3 -10.6 -20.5 0.5 41 1145 A Y E - B 0 201A 2 -2,-0.3 2,-0.7 160,-0.2 160,-0.2 -0.734 16.3-130.6-102.1 157.6 -9.1 -17.4 2.2 42 1146 A N E - B 0 200A 67 158,-2.9 158,-1.8 -2,-0.3 2,-0.6 -0.941 28.1-147.0 -98.7 109.2 -5.6 -16.3 2.7 43 1147 A V E + B 0 199A 13 -2,-0.7 156,-0.2 156,-0.2 3,-0.1 -0.679 20.0 179.8 -83.3 118.4 -5.5 -15.4 6.4 44 1148 A I E - 0 0 54 154,-2.2 2,-0.3 -2,-0.6 155,-0.2 0.875 63.5 -20.6 -86.9 -42.5 -3.1 -12.5 6.9 45 1149 A R E - B 0 198A 101 153,-1.6 153,-2.3 2,-0.0 2,-0.4 -0.984 48.4-145.5-161.1 159.7 -3.5 -12.1 10.6 46 1150 A I E - B 0 197A 1 -39,-0.4 -39,-2.0 -2,-0.3 2,-0.4 -0.991 21.7-173.3-131.3 124.4 -5.8 -12.8 13.5 47 1151 A Q E -AB 6 196A 18 149,-2.8 149,-3.3 -2,-0.4 2,-0.5 -0.942 20.2-135.8-121.7 138.7 -6.0 -10.4 16.4 48 1152 A K E -AB 5 195A 43 -43,-2.6 -43,-2.7 -2,-0.4 2,-0.5 -0.810 24.5-133.8 -91.7 127.9 -7.9 -10.6 19.7 49 1153 A V E -A 4 0A 0 145,-2.3 2,-0.5 -2,-0.5 -45,-0.2 -0.711 22.4-173.5 -86.9 123.3 -9.8 -7.4 20.6 50 1154 A V E +A 3 0A 27 -47,-3.0 -47,-3.2 -2,-0.5 2,-0.3 -0.960 16.5 152.5-120.3 116.4 -9.3 -6.2 24.1 51 1155 A N > - 0 0 9 -2,-0.5 4,-2.8 -49,-0.2 5,-0.2 -0.900 33.4-150.9-148.9 116.0 -11.3 -3.2 25.4 52 1156 A K H > S+ 0 0 175 -51,-0.4 4,-2.3 -2,-0.3 -1,-0.1 0.880 96.9 43.4 -53.6 -50.5 -12.2 -2.7 29.0 53 1157 A K H > S+ 0 0 89 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.889 113.2 50.7 -68.3 -40.7 -15.5 -0.9 28.4 54 1158 A L H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 113.2 47.1 -63.6 -43.1 -16.7 -3.1 25.6 55 1159 A R H X S+ 0 0 108 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.892 111.2 52.5 -60.6 -41.8 -16.0 -6.1 27.9 56 1160 A E H X S+ 0 0 84 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.957 111.5 44.2 -61.6 -49.3 -17.8 -4.4 30.8 57 1161 A R H X S+ 0 0 54 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.857 112.3 53.5 -66.9 -32.6 -21.0 -3.7 28.9 58 1162 A F H X S+ 0 0 13 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.939 111.6 44.8 -65.6 -45.9 -20.9 -7.2 27.4 59 1163 A C H X S+ 0 0 63 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.916 111.4 54.4 -60.8 -44.3 -20.7 -8.7 30.9 60 1164 A H H X S+ 0 0 28 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.907 112.9 41.0 -59.5 -44.8 -23.4 -6.3 32.2 61 1165 A R H X S+ 0 0 18 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.877 107.2 63.7 -71.2 -39.9 -25.8 -7.4 29.5 62 1166 A Q H X S+ 0 0 32 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.883 102.4 50.8 -45.0 -46.5 -24.8 -11.1 29.8 63 1167 A K H X S+ 0 0 143 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.913 108.8 48.6 -64.3 -47.1 -26.2 -11.0 33.4 64 1168 A E H X S+ 0 0 31 -4,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.902 113.4 48.8 -59.3 -43.4 -29.6 -9.5 32.5 65 1169 A V H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 4,-0.5 0.968 107.7 53.1 -61.8 -54.4 -30.0 -12.1 29.7 66 1170 A S H ><>S+ 0 0 18 -4,-2.7 5,-2.3 1,-0.3 3,-1.7 0.897 105.1 56.3 -48.7 -44.8 -29.0 -15.1 31.9 67 1171 A E H 3<5S+ 0 0 122 -4,-2.1 3,-0.5 1,-0.3 -1,-0.3 0.828 111.8 42.1 -58.3 -33.4 -31.7 -14.0 34.5 68 1172 A E T <<5S+ 0 0 75 -3,-1.2 -1,-0.3 -4,-1.1 -2,-0.2 0.319 113.0 55.9 -95.7 4.7 -34.4 -14.1 31.8 69 1173 A N T X 5S- 0 0 19 -3,-1.7 3,-1.6 -4,-0.5 -1,-0.2 -0.263 124.3 -88.5-134.6 46.7 -33.1 -17.3 30.3 70 1174 A H T 3 5S- 0 0 145 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.869 87.5 -56.5 50.2 44.7 -33.0 -19.8 33.2 71 1175 A N T 3 - 0 0 13 62,-0.3 3,-0.9 -2,-0.3 39,-0.1 -0.921 65.4 -97.0-178.7 165.8 -19.9 -5.1 7.5 83 1187 A P T 3 S+ 0 0 68 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.435 111.3 73.2 -76.6 4.3 -18.2 -1.8 6.5 84 1188 A F T 3> + 0 0 78 1,-0.2 4,-2.7 2,-0.1 3,-0.4 0.172 54.1 119.6-106.8 17.9 -18.1 -0.7 10.1 85 1189 A I H <> S+ 0 0 9 -3,-0.9 4,-2.5 1,-0.2 5,-0.2 0.897 75.2 51.2 -52.1 -48.6 -15.4 -3.0 11.5 86 1190 A N H > S+ 0 0 106 -3,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.889 113.0 45.3 -62.6 -36.7 -13.1 -0.3 12.6 87 1191 A A H >>>S+ 0 0 53 -3,-0.4 4,-3.2 1,-0.2 5,-0.7 0.916 110.9 54.4 -68.3 -42.8 -15.9 1.5 14.5 88 1192 A I H 3X5S+ 0 0 10 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.902 106.6 49.9 -58.4 -42.2 -17.1 -1.8 16.1 89 1193 A I H 3<5S+ 0 0 6 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.711 121.1 35.2 -74.5 -16.8 -13.6 -2.7 17.5 90 1194 A H H <<5S+ 0 0 89 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.758 135.8 18.2-100.5 -34.8 -13.3 0.8 19.1 91 1195 A K H <5S- 0 0 166 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.569 104.3-118.1-115.9 -14.3 -16.8 1.6 20.1 92 1196 A G << - 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