==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-APR-13 4K4E . COMPND 2 MOLECULE: TANKYRASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.HUANG . 413 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 19.4 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 . 1 0.2 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 . 50 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 16.7 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 1 1 0 2 0 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 4 2 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 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 1104 A Q 0 0 212 0, 0.0 53,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -56.3 -19.1 20.1 30.6 2 1105 A G - 0 0 46 1,-0.2 2,-0.4 50,-0.1 51,-0.4 0.488 360.0 -53.7 -78.2-136.2 -17.6 23.2 32.2 3 1106 A T - 0 0 28 49,-0.1 2,-0.5 50,-0.1 49,-0.2 -0.915 41.1-153.5-112.9 134.6 -14.1 23.6 33.5 4 1107 A I E -A 51 0A 117 47,-3.7 47,-2.9 -2,-0.4 2,-0.6 -0.926 10.4-149.0-105.4 129.3 -12.5 21.3 36.1 5 1108 A L E -A 50 0A 60 -2,-0.5 2,-0.5 45,-0.2 45,-0.2 -0.901 13.2-164.6-103.6 118.0 -9.9 23.0 38.3 6 1109 A L E -A 49 0A 92 43,-2.6 43,-3.3 -2,-0.6 2,-0.2 -0.895 12.1-138.4-105.4 126.4 -7.2 20.5 39.4 7 1110 A D E -A 48 0A 77 -2,-0.5 2,-0.4 41,-0.3 41,-0.2 -0.540 15.7-142.1 -78.2 146.9 -4.8 21.3 42.2 8 1111 A L - 0 0 17 39,-1.7 39,-0.4 -2,-0.2 -1,-0.0 -0.933 17.2-120.4-112.6 135.8 -1.2 20.3 41.7 9 1112 A A > - 0 0 50 -2,-0.4 3,-2.5 1,-0.1 6,-0.4 -0.545 19.4-127.4 -73.3 137.0 0.8 18.9 44.6 10 1113 A P T 3 S+ 0 0 68 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.829 110.0 58.1 -54.4 -30.0 3.9 21.0 45.3 11 1114 A E T 3 S+ 0 0 138 4,-0.1 2,-0.5 5,-0.0 -2,-0.1 0.369 81.2 105.6 -83.0 7.6 6.0 17.9 45.1 12 1115 A D S X> S- 0 0 64 -3,-2.5 4,-2.0 1,-0.2 3,-1.0 -0.774 76.6-133.4 -87.0 134.3 4.8 17.1 41.6 13 1116 A K H 3> S+ 0 0 176 -2,-0.5 4,-1.4 1,-0.3 -1,-0.2 0.733 107.6 58.8 -55.3 -25.4 7.6 17.9 39.1 14 1117 A E H 3> S+ 0 0 63 2,-0.2 4,-1.0 3,-0.1 -1,-0.3 0.846 103.8 47.0 -74.9 -35.1 4.9 19.7 37.1 15 1118 A Y H X> S+ 0 0 21 -3,-1.0 4,-2.2 -6,-0.4 3,-1.3 0.982 114.7 49.0 -65.2 -56.2 4.0 22.1 39.9 16 1119 A Q H 3X S+ 0 0 97 -4,-2.0 4,-1.9 -6,-0.4 -2,-0.2 0.784 105.3 57.6 -51.9 -35.9 7.7 22.8 40.4 17 1120 A S H 3X S+ 0 0 76 -4,-1.4 4,-0.8 -5,-0.2 -1,-0.3 0.817 111.4 42.2 -68.2 -30.8 8.3 23.3 36.6 18 1121 A V H < S+ 0 0 0 -4,-1.2 3,-0.5 -3,-0.3 -2,-0.2 0.908 113.9 43.8 -81.9 -45.6 7.4 32.1 37.3 23 1126 A Q H >< S+ 0 0 43 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.860 114.2 51.4 -66.8 -36.9 9.9 33.0 40.0 24 1127 A S T 3< S+ 0 0 55 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.561 100.8 60.3 -81.6 -9.9 12.8 33.0 37.5 25 1128 A T T < S+ 0 0 7 -3,-0.5 91,-1.4 -4,-0.3 2,-0.4 -0.028 74.4 122.1-107.3 33.2 11.2 35.4 34.9 26 1129 A I < + 0 0 33 -3,-0.8 2,-0.3 89,-0.2 89,-0.0 -0.733 40.1 172.5 -88.4 139.1 10.9 38.2 37.4 27 1130 A R - 0 0 111 -2,-0.4 2,-0.3 87,-0.1 -2,-0.1 -0.975 38.1 -93.7-147.9 163.2 12.7 41.3 36.2 28 1131 A E - 0 0 168 -2,-0.3 2,-0.4 2,-0.1 12,-0.0 -0.618 31.8-165.4 -78.9 135.2 13.3 44.9 36.9 29 1132 A H > - 0 0 33 -2,-0.3 2,-2.0 87,-0.1 3,-0.9 -0.942 36.4-116.6-113.2 137.1 10.9 47.1 35.0 30 1133 A R T 3 S+ 0 0 115 -2,-0.4 -2,-0.1 1,-0.2 0, 0.0 0.121 90.7 112.1 -70.2 37.8 12.2 50.6 35.2 31 1134 A D T > S- 0 0 56 -2,-2.0 3,-0.7 1,-0.0 -1,-0.2 0.793 79.9-132.7 -82.6 -39.0 9.0 51.0 37.1 32 1135 A G T < S- 0 0 71 -3,-0.9 -2,-0.1 1,-0.2 -1,-0.0 0.453 71.1 -72.7 90.0 -4.5 9.9 51.8 40.7 33 1136 A G T 3> S+ 0 0 17 -4,-0.3 4,-1.8 5,-0.1 -1,-0.2 0.439 99.3 134.6 92.2 2.9 7.3 49.1 41.4 34 1137 A N T <4 S+ 0 0 99 -3,-0.7 103,-0.1 2,-0.2 4,-0.1 0.867 70.3 36.0 -51.0 -54.4 4.4 51.3 40.5 35 1138 A A T 4 S+ 0 0 8 2,-0.1 88,-0.1 1,-0.1 -1,-0.1 0.986 135.6 14.0 -68.3 -62.8 2.3 48.9 38.3 36 1139 A G T 4 S- 0 0 4 1,-0.3 -2,-0.2 80,-0.1 2,-0.2 0.588 110.3-106.3 -94.3 -12.0 2.8 45.5 39.9 37 1140 A G < - 0 0 7 -4,-1.8 2,-0.6 101,-0.1 -1,-0.3 -0.489 39.9 -63.0 113.1 173.5 4.3 46.4 43.3 38 1141 A I S S+ 0 0 92 100,-0.2 2,-0.3 -2,-0.2 -5,-0.1 -0.909 78.3 109.6-104.4 121.9 7.7 46.2 44.9 39 1142 A F - 0 0 31 -2,-0.6 167,-0.1 167,-0.1 3,-0.1 -0.970 49.1-153.6-171.2 173.9 9.0 42.7 45.2 40 1143 A N S S+ 0 0 107 165,-0.6 2,-0.2 1,-0.4 -14,-0.1 0.067 82.9 27.8-153.0 28.9 11.6 40.3 44.0 41 1144 A R - 0 0 112 164,-0.2 164,-2.2 2,-0.0 -1,-0.4 -0.878 69.3-132.9 178.2 150.9 9.9 37.0 44.7 42 1145 A Y E - B 0 204A 0 -2,-0.2 2,-0.7 162,-0.2 162,-0.2 -0.758 15.0-130.1-113.7 163.4 6.3 35.6 45.0 43 1146 A N E - B 0 203A 63 160,-3.0 160,-1.4 -2,-0.3 2,-0.9 -0.919 28.5-149.7-110.3 96.2 4.6 33.4 47.5 44 1147 A V E + B 0 202A 11 -2,-0.7 158,-0.3 158,-0.2 3,-0.1 -0.625 19.9 178.7 -73.9 108.3 3.0 30.9 45.2 45 1148 A I E - 0 0 58 156,-1.4 2,-0.3 -2,-0.9 157,-0.2 0.734 59.5 -8.8 -83.1 -27.0 -0.1 29.9 47.1 46 1149 A R E - B 0 201A 110 155,-2.1 155,-2.7 2,-0.0 2,-0.4 -0.940 47.6-155.0-173.4 144.9 -1.5 27.5 44.6 47 1150 A I E - B 0 200A 1 -39,-0.4 -39,-1.7 -2,-0.3 2,-0.4 -0.965 19.5-174.9-131.7 114.6 -1.2 26.1 41.1 48 1151 A Q E -AB 7 199A 15 151,-3.2 151,-3.3 -2,-0.4 2,-0.5 -0.880 20.9-135.1-112.3 141.7 -4.3 24.6 39.4 49 1152 A K E -AB 6 198A 33 -43,-3.3 -43,-2.6 -2,-0.4 2,-0.9 -0.818 20.9-136.4 -94.7 128.7 -4.5 22.9 36.0 50 1153 A V E -A 5 0A 0 147,-2.5 2,-0.6 -2,-0.5 -45,-0.2 -0.757 23.0-173.2 -89.1 104.7 -7.5 24.1 34.0 51 1154 A V E +A 4 0A 62 -47,-2.9 -47,-3.7 -2,-0.9 2,-0.3 -0.883 18.6 148.4-105.7 120.7 -9.3 21.1 32.4 52 1155 A N > - 0 0 13 -2,-0.6 4,-1.7 -49,-0.2 -49,-0.1 -0.922 32.6-153.4-151.0 120.2 -12.1 21.8 29.9 53 1156 A K H > S+ 0 0 149 -51,-0.4 4,-2.3 -2,-0.3 5,-0.2 0.931 92.3 48.5 -61.1 -56.6 -12.8 19.5 27.0 54 1157 A K H > S+ 0 0 125 -53,-0.3 4,-2.4 1,-0.2 5,-0.2 0.853 111.3 51.7 -56.4 -38.9 -14.4 21.9 24.5 55 1158 A L H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.905 109.3 49.6 -65.2 -42.8 -11.6 24.5 25.0 56 1159 A R H X S+ 0 0 67 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.923 113.0 47.6 -61.0 -46.1 -8.9 21.9 24.3 57 1160 A E H X S+ 0 0 114 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.902 112.0 47.1 -64.0 -44.3 -10.7 20.7 21.2 58 1161 A R H X S+ 0 0 128 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.930 115.7 48.6 -62.6 -42.4 -11.3 24.2 19.8 59 1162 A F H X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.835 112.5 46.3 -66.7 -36.9 -7.6 25.0 20.6 60 1163 A C H X S+ 0 0 62 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.770 110.0 53.7 -78.3 -28.0 -6.3 21.8 18.9 61 1164 A H H >X S+ 0 0 113 -4,-2.0 4,-1.9 2,-0.2 3,-0.6 0.959 111.6 45.3 -69.0 -48.0 -8.4 22.3 15.8 62 1165 A R H 3X S+ 0 0 16 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.862 108.3 57.1 -62.0 -36.1 -7.0 25.8 15.4 63 1166 A Q H 3X S+ 0 0 30 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.807 106.3 50.4 -66.8 -28.0 -3.5 24.6 16.0 64 1167 A K H <>S+ 0 0 18 -4,-1.3 3,-1.7 2,-0.2 5,-1.3 0.987 106.4 51.5 -63.2 -55.7 0.3 24.1 11.1 68 1171 A E H ><5S+ 0 0 126 -4,-2.6 3,-0.6 1,-0.3 -2,-0.2 0.862 114.1 45.9 -45.4 -42.3 -1.1 23.6 7.6 69 1172 A E H 3<5S+ 0 0 106 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.649 114.8 46.5 -79.3 -17.8 -0.6 27.3 7.0 70 1173 A N T <<5S- 0 0 19 -3,-1.7 -1,-0.2 -4,-1.1 -2,-0.2 -0.136 122.5 -86.3-121.5 39.9 2.9 27.5 8.4 71 1174 A H T < 5S- 0 0 148 -3,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.973 88.5 -54.1 59.0 55.8 4.8 24.5 6.9 72 1175 A N S - 0 0 14 -2,-0.4 3,-0.7 62,-0.3 62,-0.1 -0.902 68.0 -92.1 174.8 169.3 -5.6 40.8 33.3 84 1187 A P T 3 S+ 0 0 76 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.328 111.3 67.7 -83.5 8.3 -8.8 41.3 35.4 85 1188 A F T 3> + 0 0 125 1,-0.1 4,-2.8 2,-0.1 5,-0.2 0.162 56.9 121.4-114.6 21.7 -10.8 38.7 33.5 86 1189 A I H <> S+ 0 0 8 -3,-0.7 4,-2.2 1,-0.2 -1,-0.1 0.858 76.5 49.4 -52.4 -41.1 -9.0 35.6 34.6 87 1190 A N H > S+ 0 0 103 2,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.913 112.6 47.7 -66.9 -40.3 -12.0 33.9 36.1 88 1191 A A H >> S+ 0 0 43 -3,-0.2 4,-2.2 1,-0.2 3,-0.7 0.923 111.9 51.5 -63.7 -42.7 -14.1 34.6 33.0 89 1192 A I H 3X S+ 0 0 16 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.877 104.8 54.4 -64.1 -39.9 -11.2 33.3 30.8 90 1193 A I H 3< S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.703 115.3 39.6 -71.2 -16.5 -10.9 30.0 32.6 91 1194 A H H << S+ 0 0 85 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.805 133.4 18.9 -98.3 -35.9 -14.5 29.2 32.2 92 1195 A K H < S- 0 0 158 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.419 103.4-125.6-114.9 -2.1 -15.2 30.3 28.7 93 1196 A G < - 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0 0 0 -3,-3.1 2,-2.2 58,-0.2 -1,-0.3 -0.451 64.1 -22.0 108.8-178.5 -4.4 46.2 18.3 107 1210 A A S S+ 0 0 19 58,-1.1 2,-0.2 -8,-0.1 -6,-0.2 -0.479 94.8 110.8 -75.2 74.9 -7.5 44.3 19.3 108 1211 A G S S- 0 0 8 -2,-2.2 2,-0.5 -8,-0.3 -8,-0.4 -0.684 73.4 -93.5-135.4-172.5 -5.8 41.1 20.5 109 1212 A I E -F 188 0B 15 79,-2.8 79,-2.1 -2,-0.2 2,-0.3 -0.956 43.1-139.0-112.0 127.1 -4.9 39.1 23.6 110 1213 A Y E +F 187 0B 55 -2,-0.5 2,-0.3 77,-0.2 77,-0.2 -0.655 22.0 177.5 -95.8 143.4 -1.6 39.9 25.1 111 1214 A F E -F 186 0B 4 75,-2.2 75,-2.6 -2,-0.3 2,-0.3 -0.962 8.6-163.1-139.8 155.2 1.0 37.6 26.5 112 1215 A A B -D 80 0A 5 -32,-2.2 -32,-2.4 -2,-0.3 73,-0.1 -0.939 23.5-144.4-136.7 154.8 4.5 37.9 28.0 113 1216 A E S S+ 0 0 55 71,-0.4 2,-0.6 -2,-0.3 72,-0.1 0.542 87.6 78.9 -94.8 -5.9 7.3 35.5 28.7 114 1217 A N >> - 0 0 10 70,-0.3 3,-2.2 1,-0.1 4,-1.2 -0.876 67.3-156.8-107.3 111.9 8.1 37.4 31.9 115 1218 A S H 3> S+ 0 0 0 -2,-0.6 4,-1.5 -94,-0.4 -89,-0.2 0.832 95.1 58.8 -52.4 -38.1 5.9 36.7 34.9 116 1219 A S H 3> S+ 0 0 1 -91,-1.4 4,-0.5 1,-0.2 -1,-0.3 0.692 103.2 56.0 -67.8 -15.1 6.8 40.1 36.4 117 1220 A K H <4 S+ 0 0 24 -3,-2.2 3,-0.4 -92,-0.3 4,-0.3 0.900 108.2 42.9 -83.2 -41.1 5.4 41.7 33.3 118 1221 A S H >< S+ 0 0 5 -4,-1.2 3,-0.9 1,-0.2 4,-0.4 0.722 104.8 66.5 -74.5 -23.2 1.9 40.1 33.4 119 1222 A N H >< S+ 0 0 2 -4,-1.5 3,-1.0 1,-0.2 4,-0.3 0.829 90.9 63.5 -66.0 -30.9 1.7 40.8 37.1 120 1223 A Q T 3< S+ 0 0 20 -4,-0.5 3,-0.3 -3,-0.4 -1,-0.2 0.753 104.3 49.3 -64.4 -23.2 1.6 44.5 36.3 121 1224 A Y T X S+ 0 0 78 -3,-0.9 3,-2.2 -4,-0.3 -1,-0.2 0.527 75.9 102.2 -96.4 -5.9 -1.6 43.8 34.6 122 1225 A V T < S+ 0 0 13 -3,-1.0 -36,-0.2 -4,-0.4 -1,-0.2 0.825 93.3 33.2 -46.6 -42.4 -3.5 41.8 37.2 123 1226 A Y T 3 S- 0 0 47 1,-0.4 6,-0.4 -4,-0.3 -1,-0.3 -0.076 128.2 -77.7-109.0 35.3 -5.6 44.8 38.3 124 1227 A G S X S- 0 0 18 -3,-2.2 3,-2.3 3,-0.2 -1,-0.4 -0.378 83.0 -12.0 103.3 178.0 -5.9 46.5 34.9 125 1228 A I G > S- 0 0 141 1,-0.3 3,-1.6 2,-0.2 -4,-0.1 -0.298 136.8 -1.7 -57.2 124.6 -3.8 48.7 32.7 126 1229 A G G 3 S- 0 0 37 1,-0.3 -1,-0.3 -2,-0.1 -5,-0.1 0.494 131.9 -66.2 71.3 -0.4 -0.7 50.0 34.5 127 1230 A G G X S- 0 0 1 -3,-2.3 3,-2.4 -6,-0.1 -1,-0.3 0.671 70.7-135.6 93.0 18.7 -2.2 48.1 37.5 128 1231 A G T < - 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