==== 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 4LI7 . COMPND 2 MOLECULE: TANKYRASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.A.KIRBY,T.STAMS . 408 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 68.4 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 . 82 20.1 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 . 48 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 17.2 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 1 1 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 3 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 0 105 0, 0.0 51,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 155.9 -9.0 2.6 24.1 2 1106 A T - 0 0 29 49,-0.1 2,-0.4 50,-0.1 49,-0.2 -0.616 360.0-158.0 -85.8 141.7 -9.0 -0.6 22.0 3 1107 A I E -A 50 0A 94 47,-3.0 47,-2.9 -2,-0.3 2,-0.7 -0.972 5.5-148.4-120.7 134.6 -6.1 -2.9 22.1 4 1108 A L E -A 49 0A 60 -2,-0.4 2,-0.6 45,-0.2 45,-0.2 -0.891 6.8-156.4-106.1 112.5 -5.3 -5.4 19.4 5 1109 A L E -A 48 0A 77 43,-3.2 43,-2.9 -2,-0.7 2,-0.8 -0.768 17.0-137.1 -86.5 119.0 -3.5 -8.6 20.6 6 1110 A D E -A 47 0A 115 -2,-0.6 2,-0.3 41,-0.2 41,-0.2 -0.678 15.2-149.1 -83.0 112.0 -1.6 -10.2 17.6 7 1111 A L - 0 0 23 39,-1.9 39,-0.5 -2,-0.8 -1,-0.0 -0.605 13.1-127.6 -81.6 137.0 -2.1 -13.9 17.5 8 1112 A A > - 0 0 42 -2,-0.3 3,-2.4 1,-0.1 6,-0.3 -0.587 17.4-121.8 -83.0 145.3 0.7 -16.0 16.2 9 1113 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.745 113.4 60.7 -56.3 -25.9 -0.0 -18.5 13.4 10 1114 A E T 3 S+ 0 0 150 4,-0.1 2,-0.3 5,-0.0 3,-0.0 0.429 83.1 110.8 -83.2 3.2 1.3 -21.3 15.6 11 1115 A D <> - 0 0 59 -3,-2.4 4,-2.9 1,-0.1 5,-0.2 -0.604 69.3-140.9 -81.4 133.4 -1.4 -20.5 18.1 12 1116 A K H > S+ 0 0 161 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.891 106.1 52.3 -57.8 -39.6 -4.2 -23.0 18.7 13 1117 A E H > S+ 0 0 54 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.975 109.6 47.1 -58.2 -58.9 -6.6 -20.1 18.9 14 1118 A Y H > S+ 0 0 17 -6,-0.3 4,-2.8 1,-0.2 5,-0.2 0.911 115.6 46.3 -48.3 -49.7 -5.4 -18.6 15.7 15 1119 A Q H X S+ 0 0 103 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.900 110.9 52.6 -64.5 -39.4 -5.7 -21.9 14.0 16 1120 A S H X S+ 0 0 56 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.925 112.2 45.1 -61.6 -45.2 -9.1 -22.6 15.5 17 1121 A V H X S+ 0 0 1 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.940 114.1 47.8 -67.4 -44.5 -10.4 -19.2 14.2 18 1122 A E H X S+ 0 0 35 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.921 109.8 53.9 -62.3 -41.1 -8.9 -19.7 10.8 19 1123 A E H X S+ 0 0 120 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.903 109.0 48.6 -58.3 -42.1 -10.3 -23.3 10.6 20 1124 A E H X S+ 0 0 76 -4,-2.0 4,-0.5 2,-0.2 92,-0.4 0.857 113.5 47.3 -65.7 -37.0 -13.8 -21.9 11.4 21 1125 A M H >< S+ 0 0 0 -4,-2.1 3,-0.8 2,-0.2 91,-0.2 0.958 115.1 43.4 -71.4 -48.2 -13.5 -19.3 8.7 22 1126 A Q H >< S+ 0 0 24 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.858 113.1 52.2 -64.5 -38.7 -12.2 -21.6 6.0 23 1127 A S H 3< S+ 0 0 73 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.541 103.0 57.8 -80.3 -5.9 -14.6 -24.4 6.7 24 1128 A T T << S+ 0 0 16 -3,-0.8 89,-1.1 -4,-0.5 2,-0.4 0.048 71.3 122.8-112.2 25.8 -17.7 -22.3 6.6 25 1129 A I < + 0 0 34 -3,-0.9 2,-0.3 87,-0.2 -3,-0.0 -0.696 40.6 175.4 -81.7 135.6 -17.3 -21.0 3.1 26 1130 A R - 0 0 40 -2,-0.4 2,-0.3 85,-0.0 -2,-0.1 -0.954 37.7 -95.1-141.9 163.1 -20.3 -21.9 1.0 27 1131 A E - 0 0 157 -2,-0.3 2,-0.3 4,-0.0 12,-0.0 -0.604 43.6-148.0 -75.0 134.6 -21.8 -21.4 -2.4 28 1132 A H > - 0 0 24 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.830 20.2-119.1-109.1 149.5 -24.2 -18.5 -2.3 29 1133 A R T 3 S+ 0 0 231 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.759 110.5 65.9 -54.3 -29.8 -27.3 -18.1 -4.4 30 1134 A D T > S- 0 0 56 1,-0.1 3,-1.8 2,-0.0 -1,-0.3 0.383 109.3-121.3 -78.5 8.8 -26.0 -15.0 -5.9 31 1135 A G T < S- 0 0 51 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.733 71.8 -52.4 61.5 22.2 -23.2 -17.0 -7.6 32 1136 A G T 3> S+ 0 0 16 -4,-0.2 4,-2.6 5,-0.1 -1,-0.3 0.392 101.1 134.2 93.9 -0.7 -20.6 -14.9 -5.9 33 1137 A N T <4 S+ 0 0 90 -3,-1.8 101,-0.1 1,-0.2 -2,-0.1 0.907 76.3 32.2 -45.6 -56.7 -21.9 -11.6 -7.0 34 1138 A A T 4 S+ 0 0 5 1,-0.1 -1,-0.2 2,-0.1 86,-0.2 0.896 132.7 25.3 -73.6 -43.7 -21.7 -9.8 -3.6 35 1139 A G T 4 S- 0 0 3 1,-0.3 -2,-0.2 100,-0.1 2,-0.2 0.644 105.9-113.4-100.4 -15.0 -18.6 -11.5 -2.0 36 1140 A G < - 0 0 7 -4,-2.6 2,-0.6 99,-0.1 -1,-0.3 -0.469 37.2 -65.0 107.6 174.0 -16.6 -12.6 -5.0 37 1141 A I S S+ 0 0 97 98,-0.2 2,-0.3 -2,-0.2 -5,-0.1 -0.912 71.4 120.5-108.7 120.4 -15.6 -16.1 -6.3 38 1142 A F - 0 0 16 -2,-0.6 162,-0.1 162,-0.1 3,-0.1 -0.989 47.4-153.9-167.4 167.5 -13.3 -18.2 -4.1 39 1143 A N S S+ 0 0 110 160,-0.6 2,-0.3 1,-0.3 -14,-0.2 0.452 84.7 22.0-124.6 -13.6 -12.9 -21.5 -2.2 40 1144 A R - 0 0 124 159,-0.5 159,-2.0 -17,-0.0 -1,-0.3 -0.988 68.3-127.3-154.5 157.5 -10.5 -20.4 0.4 41 1145 A Y E - B 0 198A 0 -2,-0.3 2,-0.8 157,-0.2 157,-0.2 -0.785 13.9-136.4-107.6 153.5 -9.2 -17.3 2.2 42 1146 A N E - B 0 197A 62 155,-2.8 155,-1.6 -2,-0.3 2,-0.7 -0.930 26.2-148.3-105.8 105.3 -5.6 -16.1 2.6 43 1147 A V E - B 0 196A 12 -2,-0.8 153,-0.3 153,-0.2 3,-0.1 -0.680 17.7-177.0 -79.5 111.3 -5.6 -15.1 6.3 44 1148 A I E - 0 0 59 151,-1.8 2,-0.3 -2,-0.7 152,-0.2 0.913 65.5 -25.0 -74.0 -47.4 -3.2 -12.2 6.6 45 1149 A R E - B 0 195A 93 150,-1.7 150,-2.9 -37,-0.0 2,-0.4 -0.988 49.3-144.8-163.4 157.0 -3.5 -11.9 10.4 46 1150 A I E - B 0 194A 1 -39,-0.5 -39,-1.9 -2,-0.3 2,-0.4 -0.999 22.9-175.1-129.4 129.9 -5.9 -12.6 13.3 47 1151 A Q E -AB 6 193A 14 146,-2.6 146,-3.0 -2,-0.4 2,-0.5 -0.944 22.7-129.8-128.5 149.3 -6.1 -10.3 16.2 48 1152 A K E -AB 5 192A 43 -43,-2.9 -43,-3.2 -2,-0.4 2,-0.5 -0.830 23.8-136.3 -97.3 130.8 -7.9 -10.3 19.5 49 1153 A V E -A 4 0A 0 142,-2.6 2,-0.5 -2,-0.5 -45,-0.2 -0.783 20.3-173.8 -90.2 124.6 -9.8 -7.1 20.4 50 1154 A V E +A 3 0A 27 -47,-2.9 -47,-3.0 -2,-0.5 2,-0.4 -0.973 16.9 152.9-120.7 113.1 -9.4 -5.9 24.0 51 1155 A N > - 0 0 8 -2,-0.5 4,-2.4 -49,-0.2 5,-0.2 -0.900 30.9-155.5-145.9 113.1 -11.6 -3.0 25.0 52 1156 A K H > S+ 0 0 155 -51,-0.4 4,-3.1 -2,-0.4 5,-0.2 0.866 93.8 49.5 -53.8 -48.7 -12.6 -2.6 28.6 53 1157 A K H > S+ 0 0 89 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.926 113.7 47.4 -61.0 -44.7 -15.8 -0.5 28.0 54 1158 A L H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.867 112.8 48.6 -64.7 -39.5 -17.0 -3.0 25.4 55 1159 A R H X S+ 0 0 106 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.949 112.0 49.5 -64.7 -47.7 -16.2 -5.9 27.7 56 1160 A E H X S+ 0 0 84 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.940 112.8 46.1 -58.5 -48.5 -18.0 -4.3 30.6 57 1161 A R H X S+ 0 0 55 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.925 113.4 50.2 -61.7 -42.0 -21.1 -3.5 28.5 58 1162 A F H X S+ 0 0 13 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.918 112.2 46.1 -62.5 -44.1 -21.1 -7.0 27.2 59 1163 A C H X S+ 0 0 57 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.958 111.6 51.8 -62.2 -49.6 -20.8 -8.6 30.7 60 1164 A H H X S+ 0 0 23 -4,-2.9 4,-1.3 -5,-0.2 -2,-0.2 0.912 113.0 46.4 -53.3 -45.0 -23.5 -6.4 32.1 61 1165 A R H X S+ 0 0 17 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.908 107.3 52.5 -68.9 -43.1 -25.8 -7.3 29.3 62 1166 A Q H X S+ 0 0 35 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.830 105.2 60.4 -63.7 -24.5 -25.3 -11.1 29.3 63 1167 A K H X S+ 0 0 121 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.941 107.4 42.3 -65.5 -46.7 -26.1 -10.9 33.0 64 1168 A E H < S+ 0 0 21 -4,-1.3 4,-0.5 2,-0.2 -2,-0.2 0.864 115.7 52.1 -67.0 -36.9 -29.5 -9.5 32.2 65 1169 A V H >X S+ 0 0 0 -4,-2.5 3,-2.1 2,-0.2 4,-1.0 0.973 109.5 44.7 -65.5 -55.0 -30.0 -12.0 29.4 66 1170 A S H ><>S+ 0 0 18 -4,-3.1 5,-2.6 1,-0.3 3,-0.9 0.886 106.7 62.7 -56.7 -38.2 -29.1 -15.1 31.4 67 1171 A E T 3<5S+ 0 0 114 -4,-1.8 -1,-0.3 -5,-0.3 3,-0.2 0.697 113.5 35.5 -58.0 -20.8 -31.4 -13.7 34.1 68 1172 A E T <45S+ 0 0 75 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.433 113.6 58.6-110.6 -8.3 -34.2 -14.0 31.5 69 1173 A N T X<5S- 0 0 18 -4,-1.0 3,-0.5 -3,-0.9 -2,-0.1 -0.281 125.0 -87.0-120.1 47.2 -33.0 -17.1 29.8 70 1174 A H T 3 5S- 0 0 133 1,-0.2 -3,-0.2 -3,-0.2 -4,-0.1 0.907 88.0 -53.6 49.9 50.4 -33.0 -19.5 32.8 71 1175 A N T 3 - 0 0 15 -2,-0.4 3,-1.0 60,-0.3 37,-0.2 -0.941 67.0 -91.0-174.8 169.1 -19.5 -4.8 7.1 83 1187 A P T 3 S+ 0 0 76 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.488 115.1 66.4 -75.1 1.4 -17.7 -1.6 6.2 84 1188 A F T >> + 0 0 117 1,-0.2 4,-2.7 2,-0.1 3,-0.7 0.242 56.8 120.2-107.1 15.1 -17.7 -0.4 9.8 85 1189 A I H <> S+ 0 0 5 -3,-1.0 4,-2.6 1,-0.3 5,-0.2 0.867 76.4 53.2 -45.4 -45.2 -15.4 -3.0 11.4 86 1190 A N H 3> S+ 0 0 101 -3,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.891 110.5 44.5 -62.2 -41.0 -13.0 -0.2 12.5 87 1191 A A H <> S+ 0 0 34 -3,-0.7 4,-3.0 1,-0.2 5,-0.5 0.861 111.8 56.9 -69.9 -33.0 -15.7 1.7 14.3 88 1192 A I H X S+ 0 0 13 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.939 102.6 50.9 -65.7 -45.7 -17.0 -1.5 15.8 89 1193 A I H < S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.726 121.4 35.7 -66.8 -17.3 -13.7 -2.6 17.4 90 1194 A H H < S+ 0 0 85 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.784 135.5 17.9-102.5 -34.4 -13.5 0.9 19.1 91 1195 A K H < S- 0 0 144 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.412 102.8-126.5-117.3 -4.9 -17.1 1.8 19.9 92 1196 A G < - 0 0 10 -4,-2.4 -1,-0.2 -5,-0.5 -2,-0.1 -0.050 48.0 -36.4 82.4 171.6 -18.8 -1.6 19.7 93 1197 A F - 0 0 16 92,-0.5 2,-0.4 95,-0.4 92,-0.1 -0.395 58.0-161.2 -66.9 145.1 -21.8 -2.7 17.7 94 1198 A D > - 0 0 40 91,-0.1 3,-1.7 1,-0.1 90,-0.1 -0.896 17.3-166.9-136.8 108.7 -24.5 -0.1 17.4 95 1199 A E G > S+ 0 0 6 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.643 83.2 78.5 -67.4 -13.3 -28.1 -0.9 16.4 96 1200 A R G 3 S+ 0 0 30 1,-0.3 -1,-0.3 2,-0.2 272,-0.1 0.721 88.0 59.8 -67.3 -16.9 -28.8 2.7 15.8 97 1201 A H G < 0 0 118 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.341 360.0 360.0 -89.9 5.6 -27.0 2.2 12.5 98 1202 A A < 0 0 66 -3,-2.0 -2,-0.2 6,-0.2 7,-0.2 0.743 360.0 360.0-106.7 360.0 -29.6 -0.4 11.5 99 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 100 1206 A G > 0 0 89 0, 0.0 3,-2.2 0, 0.0 62,-0.1 0.000 360.0 360.0 360.0 131.4 -33.0 -5.5 6.9 101 1207 A M T 3 + 0 0 96 1,-0.3 59,-1.7 58,-0.1 3,-0.1 0.702 360.0 24.1 -54.1 -23.1 -34.5 -8.9 6.3 102 1208 A F T 3 S- 0 0 1 1,-0.5 -1,-0.3 57,-0.2 59,-0.2 -0.076 124.4 -89.8-133.2 33.2 -35.4 -9.3 9.9 103 1209 A G < - 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