==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 05-DEC-12 4I9I . COMPND 2 MOLECULE: TANKYRASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.HUANG . 838 7 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 91 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 2 0 4 0 0 0 1 3 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 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 . 5 2 7 5 0 4 6 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 . 2 1 3 0 3 0 0 1 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 0 243 0, 0.0 53,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -49.8 35.3 1.5 31.2 2 1105 A G - 0 0 38 1,-0.2 51,-0.4 51,-0.1 2,-0.2 -0.196 360.0 -48.6-103.5-159.1 36.7 4.9 30.2 3 1106 A T - 0 0 25 49,-0.1 2,-0.4 -2,-0.1 49,-0.2 -0.512 46.6-155.2 -77.9 134.1 38.4 6.3 27.2 4 1107 A I E -A 51 0A 94 47,-2.9 47,-2.7 -2,-0.2 2,-0.6 -0.896 5.3-151.4-107.1 139.3 41.3 4.4 25.7 5 1108 A L E -A 50 0A 62 -2,-0.4 2,-0.6 45,-0.2 45,-0.2 -0.962 8.2-160.0-114.4 117.3 43.8 6.4 23.7 6 1109 A L E -A 49 0A 85 43,-2.3 43,-2.8 -2,-0.6 2,-0.1 -0.875 15.3-131.7-102.3 123.7 45.6 4.5 21.0 7 1110 A D E -A 48 0A 104 -2,-0.6 2,-0.5 41,-0.2 41,-0.2 -0.448 18.9-141.2 -68.7 138.9 48.9 5.8 19.7 8 1111 A L - 0 0 23 39,-1.5 39,-0.3 -2,-0.1 -1,-0.0 -0.891 12.8-124.4-107.8 133.3 49.2 6.0 15.9 9 1112 A A > - 0 0 43 -2,-0.5 3,-3.3 1,-0.2 6,-0.4 -0.568 12.8-137.2 -74.2 125.2 52.5 5.2 14.1 10 1113 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 0.642 106.2 63.2 -56.4 -9.9 53.6 8.1 11.9 11 1114 A E T 3 S+ 0 0 151 4,-0.1 2,-0.4 5,-0.0 -2,-0.1 0.422 87.4 93.9 -93.2 -1.0 54.4 5.3 9.4 12 1115 A D S X> S- 0 0 59 -3,-3.3 4,-2.4 1,-0.1 3,-0.6 -0.762 79.9-127.4 -97.3 140.1 50.7 4.3 9.2 13 1116 A K H 3> S+ 0 0 174 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.871 107.6 57.2 -47.7 -46.2 48.3 5.6 6.6 14 1117 A E H 3> S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 108.5 45.1 -57.0 -44.8 45.8 6.7 9.2 15 1118 A Y H <> S+ 0 0 18 -3,-0.6 4,-2.7 -6,-0.4 5,-0.2 0.971 115.5 49.3 -61.9 -49.7 48.3 8.9 11.0 16 1119 A Q H X S+ 0 0 101 -4,-2.4 4,-2.1 -7,-0.3 -2,-0.2 0.856 108.7 52.0 -56.7 -41.2 49.4 10.3 7.6 17 1120 A S H X S+ 0 0 52 -4,-3.3 4,-2.2 -5,-0.2 -1,-0.2 0.963 112.0 46.3 -61.3 -52.3 45.8 11.0 6.5 18 1121 A V H X S+ 0 0 2 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.953 111.6 49.8 -56.2 -55.7 45.0 12.9 9.6 19 1122 A E H X S+ 0 0 46 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.889 111.0 49.1 -54.1 -42.7 48.2 15.0 9.6 20 1123 A E H X S+ 0 0 115 -4,-2.1 4,-3.4 1,-0.2 -1,-0.2 0.922 108.3 52.5 -66.0 -41.5 47.8 16.0 5.9 21 1124 A E H < S+ 0 0 77 -4,-2.2 94,-0.4 -5,-0.2 4,-0.3 0.807 115.8 43.4 -61.9 -27.8 44.2 17.0 6.4 22 1125 A M H < S+ 0 0 0 -4,-1.6 3,-0.3 -5,-0.2 -2,-0.2 0.868 118.4 41.4 -84.5 -41.4 45.5 19.2 9.3 23 1126 A Q H >< S+ 0 0 15 -4,-3.1 3,-0.9 1,-0.2 -2,-0.2 0.898 115.0 50.2 -74.4 -40.2 48.5 20.6 7.5 24 1127 A S T 3< S+ 0 0 72 -4,-3.4 -1,-0.2 -5,-0.3 -3,-0.1 0.533 100.2 62.8 -81.2 -2.0 46.9 21.2 4.2 25 1128 A T T 3 S+ 0 0 16 -3,-0.3 91,-0.7 -4,-0.3 2,-0.3 0.083 72.5 127.7-106.5 23.6 43.8 23.1 5.5 26 1129 A I < + 0 0 31 -3,-0.9 2,-0.3 89,-0.1 -3,-0.0 -0.612 34.8 174.8 -78.8 135.2 45.9 26.0 6.9 27 1130 A R - 0 0 119 -2,-0.3 2,-0.4 87,-0.0 -2,-0.0 -0.991 36.3-105.5-145.2 151.2 44.7 29.4 5.7 28 1131 A E - 0 0 182 -2,-0.3 2,-0.4 2,-0.0 10,-0.0 -0.630 38.0-151.5 -76.6 126.2 45.5 33.1 6.3 29 1132 A H > - 0 0 26 -2,-0.4 3,-2.5 1,-0.1 4,-0.3 -0.808 27.5-115.3-103.3 143.6 42.7 34.7 8.4 30 1133 A R T 3 S+ 0 0 182 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.593 108.3 80.9 -48.1 -8.6 41.7 38.4 8.3 31 1134 A D T > S- 0 0 60 1,-0.1 3,-0.6 2,-0.0 -1,-0.3 0.745 96.4-131.0 -72.3 -30.9 43.0 38.3 11.8 32 1135 A G T < - 0 0 60 -3,-2.5 -2,-0.1 1,-0.2 -1,-0.1 0.602 66.4 -69.5 83.6 9.9 46.7 38.5 11.1 33 1136 A G T 3> S+ 0 0 18 -4,-0.3 4,-1.9 4,-0.1 -1,-0.2 0.605 100.0 131.3 81.9 14.7 47.1 35.6 13.5 34 1137 A N T <4 S+ 0 0 92 -3,-0.6 103,-0.1 2,-0.2 -2,-0.1 0.827 76.0 42.0 -66.9 -34.5 46.2 37.5 16.6 35 1138 A A T 4 S+ 0 0 6 2,-0.1 -1,-0.1 1,-0.1 88,-0.1 0.968 136.3 11.3 -77.7 -57.8 43.7 34.8 17.7 36 1139 A G T 4 S- 0 0 3 1,-0.2 -2,-0.2 80,-0.1 2,-0.1 0.604 111.8-104.7 -99.5 -12.7 45.7 31.7 16.9 37 1140 A G < - 0 0 4 -4,-1.9 2,-0.6 101,-0.1 -1,-0.2 -0.196 39.7 -64.0 108.3 159.5 49.1 33.0 16.2 38 1141 A I S S+ 0 0 102 -2,-0.1 2,-0.3 -4,-0.1 -5,-0.1 -0.728 76.0 116.0 -86.8 121.5 51.3 33.6 13.1 39 1142 A F - 0 0 30 -2,-0.6 170,-0.1 170,-0.1 3,-0.1 -0.973 45.8-162.9-175.4 161.6 52.2 30.4 11.2 40 1143 A N S S+ 0 0 103 168,-0.5 2,-0.3 -2,-0.3 -14,-0.1 0.273 81.9 38.9-138.7 9.2 51.9 28.3 8.0 41 1144 A R - 0 0 117 167,-0.4 167,-2.3 2,-0.0 2,-0.3 -0.975 66.0-143.4-155.2 151.8 52.9 24.9 9.3 42 1145 A Y E - B 0 207A 2 -2,-0.3 2,-0.7 165,-0.2 165,-0.2 -0.831 13.3-135.2-117.1 159.7 52.3 22.8 12.4 43 1146 A N E - B 0 206A 70 163,-3.1 163,-1.8 -2,-0.3 2,-0.6 -0.925 24.5-147.2-112.8 101.9 54.7 20.4 14.2 44 1147 A V E + B 0 205A 13 -2,-0.7 161,-0.2 161,-0.2 3,-0.1 -0.601 20.7 178.3 -74.1 115.8 52.6 17.3 14.9 45 1148 A I E - 0 0 60 159,-1.7 2,-0.3 -2,-0.6 160,-0.2 0.816 62.5 -21.1 -87.7 -32.5 53.8 15.8 18.2 46 1149 A R E - B 0 204A 101 158,-1.9 158,-3.4 2,-0.0 2,-0.4 -0.919 44.9-149.9-177.8 148.6 51.3 13.0 18.3 47 1150 A I E - B 0 203A 1 -39,-0.3 -39,-1.5 -2,-0.3 2,-0.4 -0.982 18.1-173.0-128.4 119.2 47.9 11.6 17.2 48 1151 A Q E -AB 7 202A 14 154,-2.8 154,-3.5 -2,-0.4 2,-0.4 -0.929 22.0-130.4-117.7 138.8 45.8 9.3 19.4 49 1152 A K E -AB 6 201A 51 -43,-2.8 -43,-2.3 -2,-0.4 2,-0.5 -0.712 24.3-134.8 -84.7 127.9 42.7 7.5 18.5 50 1153 A V E -A 5 0A 1 150,-2.7 2,-0.5 -2,-0.4 -45,-0.2 -0.745 22.9-173.4 -87.6 125.7 39.9 8.1 21.1 51 1154 A V E +A 4 0A 53 -47,-2.7 -47,-2.9 -2,-0.5 2,-0.4 -0.957 15.0 155.8-125.8 116.9 38.0 4.9 22.0 52 1155 A N > - 0 0 11 -2,-0.5 4,-2.9 -49,-0.2 5,-0.3 -0.904 29.9-155.5-142.6 110.1 35.0 4.9 24.3 53 1156 A K H > S+ 0 0 160 -2,-0.4 4,-1.8 -51,-0.4 -1,-0.1 0.913 98.3 42.7 -47.5 -53.3 32.3 2.2 24.2 54 1157 A K H > S+ 0 0 127 -53,-0.3 4,-2.2 2,-0.2 5,-0.3 0.894 112.3 51.6 -63.7 -45.9 29.6 4.5 25.6 55 1158 A L H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 110.0 51.1 -58.3 -45.2 30.5 7.5 23.5 56 1159 A R H X S+ 0 0 150 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.880 109.3 50.8 -60.2 -39.0 30.4 5.3 20.4 57 1160 A E H X S+ 0 0 106 -4,-1.8 4,-2.5 -5,-0.3 5,-0.3 0.919 110.6 45.9 -67.1 -46.0 27.0 4.0 21.3 58 1161 A R H X S+ 0 0 127 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.874 115.7 50.3 -65.2 -33.3 25.3 7.3 21.9 59 1162 A F H X S+ 0 0 10 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.940 112.7 42.8 -68.9 -48.9 26.9 8.5 18.7 60 1163 A C H X S+ 0 0 49 -4,-2.7 4,-1.6 2,-0.2 5,-0.2 0.880 113.7 52.0 -66.2 -39.1 25.8 5.6 16.5 61 1164 A H H X S+ 0 0 117 -4,-2.5 4,-1.5 1,-0.2 3,-0.3 0.931 109.7 48.8 -62.9 -45.4 22.3 5.6 17.9 62 1165 A R H X S+ 0 0 16 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.841 105.5 65.0 -61.7 -29.7 21.9 9.3 17.2 63 1166 A Q H X S+ 0 0 30 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.897 104.2 38.4 -66.5 -40.9 23.1 8.4 13.8 64 1167 A K H X S+ 0 0 155 -4,-1.6 4,-2.6 -3,-0.3 -1,-0.2 0.771 110.5 59.9 -85.7 -13.7 20.3 6.3 12.7 65 1168 A E H X S+ 0 0 62 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.988 108.6 46.8 -64.2 -55.3 17.7 8.5 14.4 66 1169 A V H < S+ 0 0 0 -4,-2.4 7,-0.2 1,-0.2 -2,-0.2 0.853 110.6 54.1 -51.2 -38.9 19.0 11.2 12.1 67 1170 A S H ><>S+ 0 0 16 -4,-1.5 3,-2.8 2,-0.2 5,-2.6 0.951 102.9 53.8 -61.7 -53.1 18.9 8.8 9.2 68 1171 A E H ><5S+ 0 0 137 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.929 113.2 46.3 -47.7 -47.1 15.2 7.9 9.7 69 1172 A E T 3<5S+ 0 0 111 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.343 116.9 43.3 -80.1 7.4 14.6 11.7 9.5 70 1173 A N T < 5S- 0 0 21 -3,-2.8 3,-0.5 -5,-0.2 -1,-0.2 -0.078 121.4 -83.8-145.7 39.9 16.8 12.3 6.4 71 1174 A H T < 5S- 0 0 150 -3,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.786 87.0 -61.7 63.7 29.3 16.1 9.6 3.8 72 1175 A N S - 0 0 17 -2,-0.4 3,-0.8 62,-0.3 39,-0.2 -0.962 63.7-105.1-170.2 160.0 38.4 24.5 22.6 84 1187 A P T 3 S+ 0 0 72 0, 0.0 3,-0.1 0, 0.0 38,-0.1 0.292 110.5 67.6 -77.5 14.6 39.9 24.6 26.1 85 1188 A F T 3> + 0 0 133 1,-0.1 4,-1.9 2,-0.1 3,-0.3 0.019 56.2 119.8-124.5 29.9 37.9 21.6 27.1 86 1189 A I H <> S+ 0 0 6 -3,-0.8 4,-2.7 1,-0.2 5,-0.3 0.927 73.6 54.6 -62.5 -46.7 39.3 18.8 25.0 87 1190 A N H 4 S+ 0 0 100 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.832 111.7 46.6 -58.7 -29.7 40.4 16.6 27.9 88 1191 A A H > S+ 0 0 38 -3,-0.3 4,-2.7 2,-0.2 5,-0.4 0.872 111.6 52.1 -77.6 -36.8 36.8 16.7 29.2 89 1192 A I H X S+ 0 0 16 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.914 104.6 53.2 -65.7 -46.1 35.4 16.0 25.7 90 1193 A I H < S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.709 118.8 37.8 -65.8 -17.1 37.5 12.9 25.1 91 1194 A H H 4 S+ 0 0 88 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.802 132.9 20.3-101.0 -37.5 36.2 11.5 28.4 92 1195 A K H < S- 0 0 150 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.551 104.0-126.5-108.1 -11.9 32.6 12.6 28.6 93 1196 A G < - 0 0 8 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.1 -0.231 49.4 -38.9 88.3 175.7 32.0 13.3 24.9 94 1197 A F - 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