==== 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 4LI8 . COMPND 2 MOLECULE: TANKYRASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.A.KIRBY,T.STAMS . 406 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 45 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 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 3 2 1 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 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 2,-0.6 0, 0.0 51,-0.5 0.000 360.0 360.0 360.0-156.0 -9.7 2.2 24.5 2 1106 A T E -A 51 0A 23 49,-0.1 2,-0.4 88,-0.1 49,-0.2 -0.768 360.0-175.0 -92.0 123.9 -9.4 -0.8 22.2 3 1107 A I E -A 50 0A 98 47,-2.5 47,-2.7 -2,-0.6 2,-0.5 -0.891 16.5-138.4-109.9 150.6 -6.2 -2.8 22.0 4 1108 A L E -A 49 0A 57 -2,-0.4 2,-0.6 45,-0.2 45,-0.2 -0.919 6.1-145.6-111.0 128.2 -5.6 -5.6 19.6 5 1109 A L E -A 48 0A 79 43,-3.5 43,-2.6 -2,-0.5 2,-1.4 -0.827 16.1-137.0 -93.3 120.5 -3.8 -8.8 20.6 6 1110 A D E -A 47 0A 121 -2,-0.6 41,-0.2 41,-0.2 -1,-0.0 -0.611 19.2-154.4 -82.8 90.9 -1.8 -10.3 17.8 7 1111 A L - 0 0 21 -2,-1.4 39,-0.4 39,-1.2 -1,-0.0 -0.267 17.5-119.8 -57.4 146.6 -2.4 -14.1 17.8 8 1112 A A > - 0 0 38 1,-0.1 3,-2.6 37,-0.1 6,-0.3 -0.701 13.0-123.7 -92.8 143.3 0.4 -16.2 16.3 9 1113 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.786 117.6 52.3 -51.5 -27.5 -0.2 -18.4 13.3 10 1114 A E T 3 S+ 0 0 137 4,-0.1 2,-0.3 5,-0.0 -3,-0.0 0.385 83.7 115.1 -92.1 1.4 1.1 -21.2 15.6 11 1115 A D <> - 0 0 56 -3,-2.6 4,-2.5 1,-0.2 5,-0.2 -0.561 69.0-139.5 -67.4 129.8 -1.4 -20.3 18.3 12 1116 A K H > S+ 0 0 151 -2,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.750 108.0 54.0 -61.1 -21.0 -3.9 -23.1 18.8 13 1117 A E H > S+ 0 0 53 2,-0.2 4,-1.8 3,-0.1 3,-0.2 0.976 106.2 47.3 -73.3 -62.6 -6.4 -20.2 19.1 14 1118 A Y H > S+ 0 0 14 -6,-0.3 4,-2.1 1,-0.2 3,-0.4 0.900 113.4 50.1 -39.4 -54.8 -5.4 -18.6 15.8 15 1119 A Q H X S+ 0 0 104 -4,-2.5 4,-2.1 -7,-0.3 -1,-0.2 0.899 105.7 56.1 -58.1 -43.2 -5.7 -21.9 14.1 16 1120 A S H X S+ 0 0 57 -4,-1.3 4,-1.2 -3,-0.2 -1,-0.2 0.855 110.2 45.4 -58.5 -36.5 -9.1 -22.6 15.6 17 1121 A V H X S+ 0 0 3 -4,-1.8 4,-2.5 -3,-0.4 -1,-0.2 0.880 110.8 50.5 -78.4 -38.9 -10.5 -19.4 14.1 18 1122 A E H X S+ 0 0 40 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.845 109.2 53.5 -67.1 -31.9 -9.1 -19.8 10.6 19 1123 A E H X S+ 0 0 114 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.852 110.4 46.4 -69.8 -35.3 -10.5 -23.3 10.5 20 1124 A E H X S+ 0 0 82 -4,-1.2 4,-0.7 -5,-0.2 92,-0.5 0.872 116.2 45.6 -70.0 -39.0 -13.9 -21.9 11.4 21 1125 A M H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.929 119.2 41.4 -67.6 -43.8 -13.4 -19.2 8.8 22 1126 A Q H >< S+ 0 0 26 -4,-3.3 3,-0.7 1,-0.2 -2,-0.2 0.797 113.3 50.9 -74.6 -32.3 -12.1 -21.7 6.2 23 1127 A S H 3< S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.564 104.0 58.5 -87.3 -7.9 -14.6 -24.6 6.9 24 1128 A T T 3< S+ 0 0 19 -4,-0.7 89,-0.6 -3,-0.4 90,-0.3 0.213 71.7 121.5-110.8 13.0 -17.7 -22.4 6.6 25 1129 A I < + 0 0 35 -3,-0.7 2,-0.3 87,-0.2 87,-0.0 -0.478 37.9 161.4 -65.3 147.0 -17.2 -21.1 3.1 26 1130 A R - 0 0 47 -2,-0.1 2,-0.3 85,-0.1 -2,-0.1 -0.967 41.6 -84.9-159.8 170.6 -20.2 -22.1 0.9 27 1131 A E - 0 0 181 -2,-0.3 2,-0.3 4,-0.0 87,-0.0 -0.662 41.4-149.2 -88.1 143.6 -21.9 -21.2 -2.4 28 1132 A H > - 0 0 27 -2,-0.3 3,-2.5 1,-0.1 4,-0.2 -0.844 25.2-114.2-119.6 149.7 -24.5 -18.4 -2.4 29 1133 A R T 3 S+ 0 0 226 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.692 113.0 63.8 -53.1 -21.5 -27.6 -17.8 -4.4 30 1134 A D T > S- 0 0 48 1,-0.0 3,-1.9 0, 0.0 -1,-0.3 0.279 108.8-120.5 -91.7 12.6 -26.0 -14.8 -6.0 31 1135 A G T < S- 0 0 63 -3,-2.5 -2,-0.1 1,-0.3 -4,-0.0 0.733 72.1 -53.4 59.3 25.2 -23.2 -16.9 -7.7 32 1136 A G T 3> S+ 0 0 17 -4,-0.2 4,-1.9 5,-0.1 -1,-0.3 0.537 103.2 133.2 89.1 8.1 -20.5 -15.0 -5.9 33 1137 A N T <4 S+ 0 0 81 -3,-1.9 -2,-0.1 2,-0.2 101,-0.1 0.930 75.5 30.3 -56.1 -52.5 -21.8 -11.7 -7.1 34 1138 A A T 4 S+ 0 0 2 1,-0.1 -1,-0.2 2,-0.1 86,-0.1 0.936 132.7 28.8 -76.2 -50.7 -21.6 -9.9 -3.7 35 1139 A G T 4 S- 0 0 3 1,-0.3 -2,-0.2 100,-0.1 -1,-0.1 0.567 107.3-120.8 -93.7 -10.7 -18.7 -11.6 -2.0 36 1140 A G < - 0 0 7 -4,-1.9 2,-0.6 81,-0.1 -1,-0.3 -0.314 37.0 -59.1 95.6 179.0 -16.6 -12.6 -5.1 37 1141 A I S S+ 0 0 97 98,-0.1 2,-0.3 -2,-0.1 -5,-0.1 -0.888 72.4 123.0-111.4 114.4 -15.5 -16.0 -6.3 38 1142 A F - 0 0 27 -2,-0.6 162,-0.1 162,-0.1 3,-0.1 -0.985 45.7-157.1-160.8 163.3 -13.3 -18.1 -4.1 39 1143 A N S S+ 0 0 121 160,-0.8 2,-0.3 1,-0.3 -14,-0.1 0.472 84.5 22.4-117.8 -15.5 -12.8 -21.5 -2.3 40 1144 A R E - B 0 199A 115 159,-0.5 159,-2.5 -17,-0.0 -1,-0.3 -0.999 67.9-126.1-156.3 146.8 -10.4 -20.3 0.4 41 1145 A Y E - B 0 198A 0 -2,-0.3 2,-0.9 157,-0.2 157,-0.2 -0.722 14.8-138.2 -92.1 148.0 -9.2 -17.3 2.3 42 1146 A N E - B 0 197A 62 155,-3.5 155,-1.2 -2,-0.3 2,-0.7 -0.854 27.6-149.0 -97.0 92.0 -5.6 -16.1 2.6 43 1147 A V E - B 0 196A 12 -2,-0.9 153,-0.3 153,-0.2 3,-0.1 -0.499 18.8-178.0 -68.4 107.3 -5.7 -15.2 6.3 44 1148 A I E - 0 0 58 151,-1.8 2,-0.3 -2,-0.7 152,-0.2 0.971 63.2 -19.4 -69.8 -55.6 -3.2 -12.3 6.7 45 1149 A R E - B 0 195A 96 150,-1.8 150,-2.7 -37,-0.0 2,-0.4 -0.997 51.3-145.2-156.3 148.9 -3.6 -11.9 10.5 46 1150 A I E - B 0 194A 1 -39,-0.4 -39,-1.2 -2,-0.3 2,-0.4 -0.976 20.2-170.9-120.2 131.2 -5.9 -12.7 13.3 47 1151 A Q E -AB 6 193A 16 146,-2.8 146,-3.3 -2,-0.4 2,-0.4 -0.971 19.6-137.8-128.8 131.0 -6.4 -10.3 16.3 48 1152 A K E -AB 5 192A 33 -43,-2.6 -43,-3.5 -2,-0.4 2,-0.4 -0.688 27.5-134.0 -82.0 134.8 -8.1 -10.6 19.6 49 1153 A V E -A 4 0A 0 142,-3.2 2,-0.5 -2,-0.4 -45,-0.2 -0.773 20.2-169.2 -97.0 129.7 -10.1 -7.4 20.5 50 1154 A V E +A 3 0A 32 -47,-2.7 -47,-2.5 -2,-0.4 2,-0.4 -0.949 16.2 156.8-126.2 115.5 -9.7 -6.0 23.9 51 1155 A N E > -A 2 0A 12 -2,-0.5 4,-2.3 -49,-0.2 5,-0.2 -0.912 28.7-155.9-141.5 112.1 -12.0 -3.2 25.2 52 1156 A K H > S+ 0 0 177 -51,-0.5 4,-1.7 -2,-0.4 3,-0.2 0.936 96.2 43.1 -42.9 -62.8 -12.6 -2.6 28.9 53 1157 A K H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.814 112.1 51.6 -62.4 -36.6 -16.0 -0.8 28.4 54 1158 A L H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 108.7 51.8 -71.3 -36.4 -17.4 -3.2 25.8 55 1159 A R H X S+ 0 0 92 -4,-2.3 4,-2.6 -3,-0.2 -2,-0.2 0.885 109.1 52.3 -63.9 -36.9 -16.7 -6.2 28.0 56 1160 A E H X S+ 0 0 81 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.932 111.2 43.5 -66.9 -46.4 -18.5 -4.5 30.8 57 1161 A R H X S+ 0 0 65 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.921 115.5 50.5 -64.4 -41.2 -21.7 -3.8 28.8 58 1162 A F H X S+ 0 0 11 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.906 112.8 45.6 -62.9 -43.9 -21.5 -7.3 27.4 59 1163 A C H X S+ 0 0 60 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.907 114.0 48.6 -65.1 -43.4 -21.1 -8.8 30.8 60 1164 A H H >X S+ 0 0 25 -4,-2.7 4,-1.3 1,-0.2 3,-0.8 0.946 113.0 45.8 -64.5 -47.9 -23.9 -6.7 32.3 61 1165 A R H 3X S+ 0 0 13 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.815 104.8 66.3 -62.2 -28.2 -26.4 -7.5 29.5 62 1166 A Q H 3X S+ 0 0 31 -4,-1.3 4,-1.6 -5,-0.3 -1,-0.2 0.857 99.6 49.4 -62.7 -36.0 -25.3 -11.1 30.0 63 1167 A K H <>S+ 0 0 18 -4,-1.6 3,-2.4 -5,-0.2 5,-2.1 0.956 104.5 52.7 -65.8 -51.9 -29.6 -14.9 31.9 67 1171 A E H 3<5S+ 0 0 103 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.791 112.5 48.3 -51.8 -30.4 -32.2 -14.2 34.6 68 1172 A E T 3<5S+ 0 0 95 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.320 110.7 51.1 -96.5 8.0 -34.8 -14.3 31.9 69 1173 A N T X 5S- 0 0 21 -3,-2.4 3,-0.8 -5,-0.1 -1,-0.2 -0.235 126.5 -77.7-143.6 49.5 -33.7 -17.5 30.3 70 1174 A H T 3 5S- 0 0 141 -3,-0.4 -3,-0.2 1,-0.2 -2,-0.1 0.826 89.2 -66.5 57.1 32.3 -33.4 -20.2 32.9 71 1175 A N T 3 - 0 0 19 60,-0.5 3,-0.9 -2,-0.4 37,-0.2 -0.972 60.6-115.7-171.8 155.8 -19.6 -5.0 7.6 83 1187 A P T 3 S+ 0 0 70 0, 0.0 3,-0.2 0, 0.0 36,-0.1 0.299 113.4 67.9 -79.5 10.2 -17.9 -1.9 6.2 84 1188 A F T >> + 0 0 125 1,-0.1 4,-1.5 2,-0.1 3,-1.4 0.274 58.5 115.0-114.4 8.0 -18.2 -0.8 9.8 85 1189 A I H <> S+ 0 0 6 -3,-0.9 4,-2.3 1,-0.3 5,-0.2 0.819 71.7 59.6 -52.4 -39.2 -15.8 -3.1 11.5 86 1190 A N H 34 S+ 0 0 115 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.824 110.1 42.0 -60.4 -34.5 -13.4 -0.3 12.5 87 1191 A A H <> S+ 0 0 53 -3,-1.4 4,-1.7 2,-0.2 5,-0.4 0.754 111.4 56.9 -82.9 -25.6 -16.1 1.4 14.5 88 1192 A I H X S+ 0 0 11 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.900 106.7 46.2 -75.6 -40.4 -17.4 -1.9 15.9 89 1193 A I H < S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.704 119.9 43.6 -74.1 -16.9 -14.1 -3.0 17.5 90 1194 A H H 4 S+ 0 0 93 -4,-0.4 -2,-0.2 -5,-0.2 -1,-0.2 0.685 137.2 5.8 -98.9 -23.3 -13.7 0.6 18.9 91 1195 A K H < S- 0 0 150 -4,-1.7 -3,-0.2 1,-0.1 -2,-0.2 0.381 102.4-119.3-143.6 -5.2 -17.2 1.3 20.2 92 1196 A G < - 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0 0 32 1,-0.2 4,-1.1 -32,-0.1 3,-1.0 -0.757 65.2-158.8 -89.5 112.0 -20.7 -19.1 7.4 112 1218 A S H >> S+ 0 0 0 -2,-0.7 4,-1.7 -92,-0.5 3,-0.7 0.889 95.5 60.0 -49.1 -42.3 -17.8 -16.8 7.2 113 1219 A S H 3> S+ 0 0 2 -89,-0.6 4,-0.9 1,-0.2 -1,-0.3 0.832 99.0 56.2 -56.4 -36.9 -18.5 -16.6 3.5 114 1220 A K H <4 S+ 0 0 35 -3,-1.0 -1,-0.2 -90,-0.3 -2,-0.2 0.819 108.4 46.4 -67.2 -32.6 -22.0 -15.2 4.1 115 1221 A S H XX S+ 0 0 6 -4,-1.1 3,-1.8 -3,-0.7 4,-0.7 0.790 101.7 67.8 -77.4 -28.6 -20.5 -12.3 6.2 116 1222 A N H >< S+ 0 0 2 -4,-1.7 3,-0.6 1,-0.3 4,-0.4 0.802 87.0 67.6 -60.4 -31.9 -18.0 -11.8 3.4 117 1223 A Q T 3< S+ 0 0 14 -4,-0.9 7,-1.1 1,-0.2 -1,-0.3 0.759 103.8 45.8 -57.9 -24.6 -20.8 -10.7 1.1 118 1224 A Y T X4 S+ 0 0 66 -3,-1.8 3,-3.2 -4,-0.2 -1,-0.2 0.625 76.5 97.5-101.5 -17.2 -21.2 -7.6 3.4 119 1225 A V T << S+ 0 0 11 -4,-0.7 -1,-0.2 -3,-0.6 -34,-0.1 0.781 100.1 34.5 -46.4 -32.4 -17.6 -6.3 3.9 120 1226 A Y T 3 S- 0 0 48 1,-0.4 6,-0.4 -4,-0.4 -1,-0.3 0.323 130.6 -93.1-103.9 6.4 -18.2 -3.8 1.1 121 1227 A G S X S- 0 0 14 -3,-3.2 3,-2.1 4,-0.1 -1,-0.4 -0.594 74.8 -7.9 117.4-173.6 -21.9 -3.4 2.0 122 1228 A I G > S+ 0 0 148 1,-0.3 3,-1.8 2,-0.2 -4,-0.1 -0.327 137.1 0.1 -58.2 132.5 -25.3 -4.8 1.1 123 1229 A G G 3 S- 0 0 37 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.831 130.6 -66.7 53.0 34.5 -24.8 -7.1 -1.9 124 1230 A G G X - 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