==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 03-NOV-11 3UH2 . COMPND 2 MOLECULE: TANKYRASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.A.KIRBY,T.STAMS . 411 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 66.7 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 . 82 20.0 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 . 43 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.2 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 1 1 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 0 104 0, 0.0 2,-0.4 0, 0.0 51,-0.4 0.000 360.0 360.0 360.0 169.1 -10.1 2.4 24.7 2 1106 A T - 0 0 31 49,-0.1 2,-0.4 50,-0.1 49,-0.2 -0.633 360.0-167.4 -82.6 131.6 -9.7 -0.6 22.5 3 1107 A I E -A 50 0A 109 47,-2.8 47,-2.8 -2,-0.4 2,-0.5 -0.930 12.0-145.3-111.7 143.3 -6.5 -2.7 22.6 4 1108 A L E -A 49 0A 59 -2,-0.4 2,-0.6 45,-0.2 45,-0.2 -0.926 7.3-154.1-108.9 122.6 -5.9 -5.3 19.9 5 1109 A L E -A 48 0A 81 43,-2.5 43,-2.5 -2,-0.5 2,-0.7 -0.901 17.2-134.1 -97.1 125.0 -4.1 -8.5 21.0 6 1110 A D E -A 47 0A 120 -2,-0.6 2,-0.3 41,-0.2 41,-0.2 -0.716 14.9-146.9 -87.8 110.2 -2.2 -10.1 18.1 7 1111 A L E -A 46 0A 21 39,-2.3 39,-0.5 -2,-0.7 -1,-0.0 -0.599 14.6-131.0 -75.3 134.2 -2.7 -13.9 18.0 8 1112 A A > - 0 0 36 -2,-0.3 3,-1.9 1,-0.1 6,-0.4 -0.624 16.7-121.4 -83.0 146.0 0.3 -15.8 16.7 9 1113 A P T 3 S+ 0 0 71 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.758 114.4 60.6 -58.7 -22.7 -0.4 -18.5 13.9 10 1114 A E T 3 S+ 0 0 151 4,-0.1 -3,-0.0 5,-0.0 2,-0.0 0.685 83.3 105.4 -75.7 -19.7 1.1 -21.1 16.3 11 1115 A D S <> S- 0 0 69 -3,-1.9 4,-1.8 1,-0.1 5,-0.1 -0.303 72.7-138.3 -62.1 142.4 -1.7 -20.3 18.9 12 1116 A K H > S+ 0 0 188 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.872 106.5 55.9 -67.1 -37.8 -4.6 -22.9 19.2 13 1117 A E H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.900 106.1 49.0 -60.4 -48.2 -7.0 -20.0 19.4 14 1118 A Y H > S+ 0 0 17 -6,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.952 114.3 46.8 -58.0 -48.5 -5.7 -18.5 16.0 15 1119 A Q H X S+ 0 0 98 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.864 110.7 51.2 -61.2 -43.4 -6.1 -22.0 14.4 16 1120 A S H X S+ 0 0 76 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.923 113.7 45.0 -58.4 -50.4 -9.6 -22.6 15.8 17 1121 A V H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.949 114.9 47.4 -60.8 -53.1 -10.8 -19.2 14.5 18 1122 A E H X S+ 0 0 52 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.919 111.8 50.4 -56.5 -46.5 -9.1 -19.7 11.0 19 1123 A E H X S+ 0 0 122 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.878 109.4 51.1 -62.5 -37.2 -10.6 -23.3 10.8 20 1124 A E H X S+ 0 0 89 -4,-2.1 4,-0.5 1,-0.2 92,-0.3 0.904 114.7 44.4 -64.8 -41.0 -14.1 -21.9 11.6 21 1125 A M H >< S+ 0 0 0 -4,-2.3 3,-0.7 2,-0.2 -2,-0.2 0.932 117.0 44.6 -66.9 -48.5 -13.6 -19.3 8.9 22 1126 A Q H >< S+ 0 0 35 -4,-3.3 3,-1.0 1,-0.2 -2,-0.2 0.912 112.8 49.7 -64.8 -43.5 -12.2 -21.8 6.3 23 1127 A S H 3< S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.497 104.5 59.8 -74.3 -9.3 -14.7 -24.7 6.9 24 1128 A T T << + 0 0 20 -3,-0.7 89,-0.7 -4,-0.5 90,-0.3 0.189 69.1 122.9-109.4 15.6 -17.8 -22.4 6.6 25 1129 A I < + 0 0 36 -3,-1.0 2,-0.3 14,-0.2 14,-0.0 -0.590 39.7 175.2 -73.7 134.3 -17.3 -21.1 3.0 26 1130 A R - 0 0 46 -2,-0.3 2,-0.3 85,-0.0 -2,-0.1 -0.921 37.7 -94.8-139.9 164.2 -20.4 -21.9 0.9 27 1131 A E - 0 0 183 -2,-0.3 2,-0.3 4,-0.0 86,-0.0 -0.639 43.6-147.3 -78.2 133.2 -21.8 -21.4 -2.6 28 1132 A H > - 0 0 28 -2,-0.3 3,-1.8 1,-0.1 5,-0.1 -0.815 19.5-119.7-106.3 151.3 -24.2 -18.4 -2.5 29 1133 A R T 3 S+ 0 0 236 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.806 111.6 63.0 -54.6 -37.4 -27.3 -17.9 -4.6 30 1134 A D T > S- 0 0 60 1,-0.1 3,-1.8 2,-0.0 -1,-0.3 0.320 110.3-121.6 -73.6 4.7 -25.9 -14.7 -6.2 31 1135 A G T < S- 0 0 57 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.664 71.1 -51.4 63.2 22.6 -23.0 -16.9 -7.7 32 1136 A G T 3> S+ 0 0 17 -4,-0.1 4,-2.1 5,-0.1 -1,-0.3 0.429 101.3 131.5 92.9 6.6 -20.3 -14.8 -6.0 33 1137 A N T <4 S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.2 101,-0.1 0.892 78.7 34.4 -52.9 -48.3 -21.6 -11.4 -7.2 34 1138 A A T 4 S+ 0 0 5 2,-0.1 -1,-0.2 1,-0.1 86,-0.2 0.923 133.3 20.6 -74.4 -50.8 -21.5 -9.9 -3.6 35 1139 A G T 4 S- 0 0 3 1,-0.3 -2,-0.2 100,-0.1 -1,-0.1 0.549 105.5-113.9-103.6 -11.7 -18.5 -11.5 -2.0 36 1140 A G < - 0 0 7 -4,-2.1 2,-0.5 99,-0.1 -1,-0.3 -0.314 34.8 -65.2 100.8 170.7 -16.4 -12.7 -4.9 37 1141 A I S S+ 0 0 99 98,-0.2 2,-0.3 -2,-0.1 -5,-0.1 -0.913 70.9 121.8-105.3 123.6 -15.3 -16.1 -6.2 38 1142 A F - 0 0 20 -2,-0.5 162,-0.1 162,-0.1 3,-0.1 -0.951 47.8-152.5-169.7 158.5 -13.0 -18.2 -3.9 39 1143 A N S S+ 0 0 116 160,-0.6 2,-0.3 -2,-0.3 -14,-0.2 0.462 85.5 14.3-114.9 -13.2 -12.7 -21.6 -2.2 40 1144 A R - 0 0 152 159,-0.5 159,-2.1 -17,-0.0 2,-0.3 -0.981 69.5-121.2-156.4 164.6 -10.5 -20.4 0.6 41 1145 A Y E - B 0 198A 1 -2,-0.3 2,-0.7 157,-0.2 157,-0.2 -0.786 13.4-135.9-108.2 157.7 -9.1 -17.4 2.4 42 1146 A N E - B 0 197A 63 155,-2.8 155,-2.0 -2,-0.3 2,-0.6 -0.945 27.0-150.3-107.2 102.4 -5.6 -16.1 3.0 43 1147 A V E - B 0 196A 12 -2,-0.7 153,-0.3 153,-0.2 3,-0.1 -0.700 17.4-178.6 -78.0 114.0 -5.8 -15.1 6.7 44 1148 A I E - 0 0 60 151,-2.4 2,-0.3 -2,-0.6 152,-0.2 0.834 64.8 -15.6 -81.5 -43.5 -3.2 -12.2 7.2 45 1149 A R E - B 0 195A 104 150,-1.9 150,-2.9 -37,-0.0 2,-0.4 -0.980 49.0-146.7-163.3 150.9 -3.9 -11.7 10.9 46 1150 A I E -AB 7 194A 1 -39,-0.5 -39,-2.3 -2,-0.3 2,-0.4 -0.997 23.1-174.9-123.9 121.1 -6.2 -12.5 13.8 47 1151 A Q E -AB 6 193A 18 146,-2.9 146,-3.2 -2,-0.4 2,-0.5 -0.943 19.5-137.7-119.0 141.5 -6.6 -9.9 16.6 48 1152 A K E -AB 5 192A 38 -43,-2.5 -43,-2.5 -2,-0.4 2,-0.6 -0.841 20.7-135.0 -98.3 128.3 -8.6 -10.1 19.9 49 1153 A V E -A 4 0A 0 142,-2.5 2,-0.5 -2,-0.5 -45,-0.2 -0.788 22.9-175.2 -87.6 121.0 -10.5 -7.0 20.8 50 1154 A V E +A 3 0A 25 -47,-2.8 -47,-2.8 -2,-0.6 2,-0.3 -0.979 16.3 152.6-118.5 120.7 -10.2 -6.0 24.4 51 1155 A N > - 0 0 7 -2,-0.5 4,-2.7 -49,-0.2 5,-0.2 -0.890 32.8-153.6-151.0 109.8 -12.2 -3.0 25.6 52 1156 A K H > S+ 0 0 184 -51,-0.4 4,-2.6 -2,-0.3 5,-0.1 0.865 96.9 48.1 -51.2 -47.9 -13.2 -2.9 29.3 53 1157 A K H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 113.7 46.8 -61.8 -47.7 -16.4 -0.7 28.7 54 1158 A L H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.922 114.2 48.1 -62.2 -43.3 -17.6 -3.0 25.8 55 1159 A R H X S+ 0 0 112 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.894 110.6 51.5 -64.0 -42.9 -16.9 -6.1 28.0 56 1160 A E H X S+ 0 0 87 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.933 112.1 45.9 -59.4 -46.8 -18.8 -4.6 31.0 57 1161 A R H X S+ 0 0 65 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.928 114.4 47.4 -62.8 -44.3 -21.9 -3.8 28.8 58 1162 A F H X S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.889 114.4 47.2 -62.1 -43.8 -21.8 -7.3 27.2 59 1163 A C H X S+ 0 0 58 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.920 110.3 52.7 -65.6 -43.6 -21.5 -8.9 30.7 60 1164 A H H X S+ 0 0 28 -4,-2.9 4,-1.3 -5,-0.2 -2,-0.2 0.923 113.9 42.6 -58.6 -43.4 -24.3 -6.7 32.1 61 1165 A R H X S+ 0 0 17 -4,-2.3 4,-3.0 125,-0.2 5,-0.2 0.895 107.4 60.1 -70.2 -43.2 -26.7 -7.7 29.3 62 1166 A Q H X S+ 0 0 31 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.847 105.3 50.3 -47.7 -46.2 -25.6 -11.5 29.5 63 1167 A K H X S+ 0 0 136 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.905 111.8 46.4 -65.5 -42.2 -26.8 -11.6 33.2 64 1168 A E H X S+ 0 0 28 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.935 114.4 47.1 -63.9 -48.4 -30.2 -10.1 32.4 65 1169 A V H < S+ 0 0 0 -4,-3.0 3,-0.4 1,-0.2 4,-0.3 0.899 108.4 58.0 -60.4 -40.0 -30.6 -12.4 29.4 66 1170 A S H ><>S+ 0 0 17 -4,-2.4 3,-1.6 1,-0.2 5,-1.5 0.909 101.6 53.8 -57.0 -46.9 -29.6 -15.4 31.7 67 1171 A E H 3<5S+ 0 0 115 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.812 112.7 43.6 -59.0 -33.7 -32.4 -14.7 34.2 68 1172 A E T 3<5S+ 0 0 78 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.362 111.4 57.2 -92.9 3.4 -35.0 -14.8 31.5 69 1173 A N T X 5S- 0 0 20 -3,-1.6 3,-0.9 -4,-0.3 -1,-0.2 -0.157 122.8 -86.5-129.9 42.1 -33.5 -17.9 29.8 70 1174 A H T 3 5S- 0 0 145 -3,-0.4 -3,-0.2 1,-0.2 -2,-0.1 0.915 89.0 -57.7 57.3 41.2 -33.4 -20.7 32.4 71 1175 A N T 3 - 0 0 6 60,-0.4 3,-1.1 -2,-0.4 37,-0.2 -0.918 52.6-134.4-163.1 143.3 -19.4 -4.6 7.8 83 1187 A P T 3 S+ 0 0 68 0, 0.0 3,-0.3 0, 0.0 36,-0.1 0.586 108.1 63.9 -72.2 -6.8 -17.7 -1.6 6.3 84 1188 A F T 3> + 0 0 62 1,-0.2 4,-2.4 2,-0.1 3,-0.3 0.003 59.7 122.7-107.8 24.7 -18.1 -0.1 9.8 85 1189 A I H <> S+ 0 0 8 -3,-1.1 4,-2.7 1,-0.2 5,-0.2 0.872 71.9 58.9 -53.6 -43.4 -15.8 -2.5 11.7 86 1190 A N H > S+ 0 0 114 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.916 109.0 42.8 -56.9 -44.9 -13.6 0.4 12.9 87 1191 A A H >>>S+ 0 0 28 -3,-0.3 4,-2.7 1,-0.2 3,-0.6 0.927 113.8 53.4 -65.3 -44.1 -16.6 2.0 14.6 88 1192 A I H 3X5S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.896 107.2 49.5 -57.1 -47.1 -17.8 -1.5 16.0 89 1193 A I H 3<5S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.730 121.6 34.1 -69.8 -21.0 -14.4 -2.3 17.6 90 1194 A H H <<5S+ 0 0 93 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.706 134.2 22.8-100.9 -32.8 -14.1 1.1 19.4 91 1195 A K H <5S- 0 0 144 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.571 102.9-123.7-112.2 -16.8 -17.8 1.9 20.2 92 1196 A G << - 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