==== 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 3UH4 . COMPND 2 MOLECULE: TANKYRASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.STAMS,C.KIRBY . 420 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 66.9 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 . 85 20.2 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 . 1 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 . 46 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 16.7 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 0 2 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 . 4 0 4 2 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 0 103 0, 0.0 51,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-158.0 -9.1 2.3 24.4 2 1106 A T - 0 0 32 49,-0.1 2,-0.4 50,-0.1 49,-0.2 -0.662 360.0-164.5 -84.3 136.8 -8.9 -0.8 22.3 3 1107 A I E -A 50 0A 104 47,-3.1 47,-3.1 -2,-0.3 2,-0.5 -0.955 11.0-145.9-114.3 137.5 -5.8 -3.1 22.4 4 1108 A L E -A 49 0A 63 -2,-0.4 2,-0.5 45,-0.2 45,-0.2 -0.921 9.3-153.0-104.4 119.0 -5.3 -5.6 19.6 5 1109 A L E -A 48 0A 84 43,-3.0 43,-2.6 -2,-0.5 2,-0.8 -0.864 15.5-134.7 -92.7 127.4 -3.6 -8.9 20.8 6 1110 A D E -A 47 0A 122 -2,-0.5 2,-0.2 41,-0.2 41,-0.2 -0.726 14.5-149.7 -89.5 109.2 -1.6 -10.5 18.0 7 1111 A L - 0 0 26 39,-2.2 39,-0.5 -2,-0.8 -1,-0.0 -0.561 14.8-128.2 -76.9 141.7 -2.2 -14.3 17.8 8 1112 A A > - 0 0 43 -2,-0.2 3,-1.7 1,-0.1 6,-0.3 -0.651 15.7-123.5 -85.8 142.6 0.7 -16.4 16.4 9 1113 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.757 111.3 57.5 -57.6 -24.8 -0.0 -18.9 13.5 10 1114 A E T 3 S+ 0 0 148 4,-0.1 2,-0.2 5,-0.0 -3,-0.0 0.580 84.5 105.9 -83.4 -7.3 1.3 -21.8 15.7 11 1115 A D S <> S- 0 0 62 -3,-1.7 4,-2.0 1,-0.1 3,-0.1 -0.483 73.2-135.0 -71.5 139.4 -1.2 -21.1 18.5 12 1116 A K H > S+ 0 0 156 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.776 106.6 55.3 -63.6 -33.6 -4.2 -23.5 18.8 13 1117 A E H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 107.6 47.9 -68.4 -43.2 -6.6 -20.5 19.2 14 1118 A Y H > S+ 0 0 16 -6,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.920 113.9 49.4 -60.6 -47.1 -5.4 -19.0 15.9 15 1119 A Q H X S+ 0 0 75 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.863 109.8 48.4 -64.0 -39.8 -5.8 -22.4 14.2 16 1120 A S H X S+ 0 0 68 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.867 112.5 49.1 -69.6 -38.0 -9.4 -23.1 15.6 17 1121 A V H X S+ 0 0 3 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.922 114.8 45.6 -66.1 -43.5 -10.5 -19.6 14.4 18 1122 A E H X S+ 0 0 43 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.921 113.0 49.8 -63.6 -46.8 -8.9 -20.2 10.9 19 1123 A E H X S+ 0 0 114 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.875 111.0 49.0 -59.2 -44.5 -10.4 -23.7 10.7 20 1124 A E H X S+ 0 0 82 -4,-2.3 4,-1.0 2,-0.2 92,-0.3 0.908 114.7 45.7 -62.8 -42.9 -13.9 -22.4 11.7 21 1125 A M H < S+ 0 0 1 -4,-2.2 3,-0.2 2,-0.2 91,-0.2 0.926 118.0 41.8 -65.0 -47.8 -13.6 -19.6 9.0 22 1126 A Q H >< S+ 0 0 14 -4,-3.1 3,-1.1 1,-0.2 -2,-0.2 0.907 114.8 49.8 -66.7 -45.6 -12.2 -22.0 6.2 23 1127 A S H 3< S+ 0 0 69 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.636 104.5 59.6 -69.9 -18.1 -14.7 -24.9 7.0 24 1128 A T T 3< S+ 0 0 18 -4,-1.0 89,-0.6 -3,-0.2 90,-0.3 0.242 72.1 121.3 -97.7 12.4 -17.8 -22.7 6.9 25 1129 A I < + 0 0 36 -3,-1.1 2,-0.3 87,-0.2 14,-0.0 -0.579 39.5 172.0 -71.7 134.0 -17.4 -21.4 3.3 26 1130 A R - 0 0 38 -2,-0.2 2,-0.3 85,-0.0 -2,-0.1 -0.911 38.3 -91.9-137.8 167.0 -20.5 -22.3 1.3 27 1131 A E - 0 0 157 -2,-0.3 2,-0.4 4,-0.0 12,-0.0 -0.618 41.8-142.3 -80.3 139.2 -22.0 -21.6 -2.2 28 1132 A H > - 0 0 24 -2,-0.3 3,-2.2 1,-0.1 4,-0.1 -0.882 15.2-126.0-109.5 143.5 -24.3 -18.6 -2.2 29 1133 A R T 3 S+ 0 0 120 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.744 109.5 63.3 -56.1 -31.1 -27.5 -18.3 -4.3 30 1134 A D T > S- 0 0 65 1,-0.1 3,-1.4 2,-0.0 -1,-0.3 0.363 111.1-122.4 -74.4 -0.5 -26.2 -15.1 -5.9 31 1135 A G T < - 0 0 51 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.689 69.8 -49.3 66.1 24.1 -23.4 -17.1 -7.4 32 1136 A G T 3> S+ 0 0 18 -4,-0.1 4,-2.2 5,-0.1 -1,-0.3 0.417 100.8 130.0 96.6 3.0 -20.6 -15.0 -5.8 33 1137 A N T <4 S+ 0 0 91 -3,-1.4 -2,-0.1 2,-0.2 101,-0.1 0.916 77.7 35.4 -52.4 -53.7 -22.0 -11.6 -6.9 34 1138 A A T 4 S+ 0 0 4 1,-0.1 86,-0.2 2,-0.1 -1,-0.2 0.951 134.3 18.1 -69.0 -53.6 -21.7 -10.0 -3.3 35 1139 A G T 4 S- 0 0 4 1,-0.3 -2,-0.2 78,-0.1 -1,-0.1 0.506 105.0-116.3-102.6 -9.4 -18.6 -11.6 -1.8 36 1140 A G < - 0 0 8 -4,-2.2 2,-0.6 99,-0.1 -1,-0.3 -0.361 35.8 -59.0 101.6 176.8 -16.7 -13.0 -4.8 37 1141 A I S S+ 0 0 102 98,-0.1 2,-0.3 -2,-0.1 -5,-0.1 -0.911 71.7 123.6-106.4 120.2 -15.5 -16.4 -6.1 38 1142 A F - 0 0 20 -2,-0.6 168,-0.1 168,-0.1 3,-0.1 -0.962 44.8-158.9-166.5 156.9 -13.3 -18.4 -3.8 39 1143 A N S S+ 0 0 107 166,-0.5 2,-0.3 1,-0.3 -14,-0.1 0.430 85.3 17.1-115.7 -13.3 -13.1 -21.8 -2.1 40 1144 A R S S- 0 0 128 165,-0.4 165,-1.9 -17,-0.0 2,-0.3 -0.978 71.5-124.1-155.0 158.0 -10.6 -20.7 0.6 41 1145 A Y E - B 0 204A 2 -2,-0.3 2,-0.8 163,-0.2 163,-0.2 -0.784 14.5-132.5-105.6 158.2 -9.2 -17.6 2.3 42 1146 A N E - B 0 203A 65 161,-3.0 161,-2.0 -2,-0.3 2,-0.6 -0.916 27.9-150.5-105.1 101.7 -5.7 -16.4 2.7 43 1147 A V E - B 0 202A 13 -2,-0.8 159,-0.3 159,-0.2 3,-0.1 -0.664 18.2-179.7 -78.1 118.5 -5.6 -15.4 6.5 44 1148 A I E - 0 0 58 157,-2.5 2,-0.3 -2,-0.6 158,-0.2 0.850 64.6 -17.8 -87.3 -41.1 -3.1 -12.6 7.0 45 1149 A R E - B 0 201A 101 156,-1.8 156,-2.4 -37,-0.0 2,-0.4 -0.978 48.9-145.0-163.9 154.4 -3.6 -12.2 10.7 46 1150 A I E - B 0 200A 1 -39,-0.5 -39,-2.2 -2,-0.3 2,-0.4 -0.993 24.7-173.7-128.3 118.1 -5.9 -13.0 13.6 47 1151 A Q E -AB 6 199A 19 152,-2.8 152,-3.2 -2,-0.4 2,-0.5 -0.945 20.8-137.1-117.2 140.7 -6.2 -10.5 16.4 48 1152 A K E -AB 5 198A 50 -43,-2.6 -43,-3.0 -2,-0.4 2,-0.5 -0.819 23.1-134.8 -94.6 123.2 -8.0 -10.6 19.8 49 1153 A V E -A 4 0A 0 148,-2.1 2,-0.5 -2,-0.5 -45,-0.2 -0.745 21.5-171.5 -83.3 121.1 -9.9 -7.3 20.6 50 1154 A V E +A 3 0A 30 -47,-3.1 -47,-3.1 -2,-0.5 2,-0.3 -0.971 18.6 151.2-117.5 114.8 -9.3 -6.1 24.2 51 1155 A N > - 0 0 11 -2,-0.5 4,-2.8 -49,-0.2 5,-0.2 -0.863 33.5-153.6-148.7 113.2 -11.4 -3.2 25.4 52 1156 A K H > S+ 0 0 187 -51,-0.4 4,-2.8 -2,-0.3 5,-0.1 0.854 96.5 45.9 -50.5 -52.1 -12.4 -2.8 29.1 53 1157 A K H > S+ 0 0 112 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.910 113.7 48.8 -64.5 -42.2 -15.6 -0.7 28.5 54 1158 A L H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.920 114.3 46.5 -65.1 -40.7 -16.8 -3.1 25.7 55 1159 A R H X S+ 0 0 107 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.922 112.9 49.6 -65.9 -43.2 -16.1 -6.1 28.0 56 1160 A E H X S+ 0 0 82 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.954 112.4 46.9 -59.7 -50.1 -17.9 -4.4 30.9 57 1161 A R H X S+ 0 0 61 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.860 114.4 48.3 -60.4 -36.0 -21.0 -3.5 28.8 58 1162 A F H X S+ 0 0 9 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.894 111.4 48.6 -70.9 -44.6 -21.0 -7.1 27.4 59 1163 A C H X S+ 0 0 59 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.923 111.2 52.1 -57.6 -49.6 -20.7 -8.7 31.0 60 1164 A H H X S+ 0 0 28 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.868 113.1 42.2 -57.5 -43.5 -23.5 -6.4 32.3 61 1165 A R H X S+ 0 0 17 -4,-1.6 4,-2.3 131,-0.2 -1,-0.2 0.907 109.6 58.5 -71.5 -39.8 -25.9 -7.4 29.5 62 1166 A Q H X S+ 0 0 30 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.867 105.0 51.3 -53.8 -44.7 -24.9 -11.1 29.7 63 1167 A K H X S+ 0 0 139 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.888 109.9 48.7 -62.8 -42.7 -26.0 -11.1 33.4 64 1168 A E H X S+ 0 0 19 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.903 112.8 47.0 -63.1 -45.2 -29.4 -9.6 32.6 65 1169 A V H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 3,-0.5 0.910 108.6 56.0 -61.9 -46.6 -30.1 -12.1 29.8 66 1170 A S H ><>S+ 0 0 18 -4,-2.4 3,-1.8 1,-0.2 5,-1.6 0.943 104.9 52.6 -51.3 -52.9 -29.0 -15.0 32.1 67 1171 A E H 3<5S+ 0 0 107 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.769 113.2 43.9 -53.3 -37.7 -31.6 -14.0 34.7 68 1172 A E H 3<5S+ 0 0 74 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.401 112.2 54.7 -89.7 -3.4 -34.4 -14.0 32.0 69 1173 A N T X<5S- 0 0 19 -3,-1.8 3,-0.8 -4,-0.6 -1,-0.2 -0.119 123.9 -88.9-128.1 43.8 -33.3 -17.3 30.5 70 1174 A H T 3 5S- 0 0 147 -3,-0.5 -3,-0.2 1,-0.2 -2,-0.1 0.912 89.3 -53.9 49.8 48.3 -33.2 -19.8 33.5 71 1175 A N T 3 - 0 0 13 60,-0.4 3,-1.6 -2,-0.4 37,-0.2 -0.923 55.8-128.1-168.6 145.2 -19.5 -4.8 8.0 83 1187 A P T 3 S+ 0 0 86 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.638 111.9 64.9 -72.3 -7.1 -18.3 -1.5 6.5 84 1188 A F T >> + 0 0 92 1,-0.2 4,-2.3 2,-0.1 3,-0.9 0.339 66.2 118.8 -93.3 6.7 -18.5 -0.3 10.2 85 1189 A I H <> S+ 0 0 20 -3,-1.6 4,-2.0 1,-0.3 -1,-0.2 0.780 73.0 49.1 -43.0 -45.8 -15.7 -2.8 11.4 86 1190 A N H 3> S+ 0 0 103 -3,-0.3 4,-1.0 1,-0.2 -1,-0.3 0.887 112.7 46.9 -67.2 -38.6 -13.3 -0.1 12.6 87 1191 A A H <>>S+ 0 0 29 -3,-0.9 4,-3.4 1,-0.2 5,-0.6 0.883 110.1 56.1 -69.1 -33.6 -16.0 1.7 14.6 88 1192 A I H X5S+ 0 0 8 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.905 107.0 47.1 -62.6 -46.3 -17.1 -1.8 16.0 89 1193 A I H <5S+ 0 0 8 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.756 123.3 34.9 -70.1 -21.5 -13.6 -2.6 17.4 90 1194 A H H <5S+ 0 0 90 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.842 136.0 17.2 -97.8 -42.4 -13.3 0.9 19.0 91 1195 A K H <5S- 0 0 155 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.455 103.3-121.8-111.0 -10.5 -16.9 1.8 20.1 92 1196 A G << - 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0 0 33 1,-0.1 4,-1.4 -32,-0.1 3,-0.9 -0.806 68.0-158.0 -93.3 117.8 -21.0 -19.3 7.6 112 1218 A S H 3> S+ 0 0 0 -2,-0.6 4,-1.7 -92,-0.3 -87,-0.2 0.855 96.3 59.2 -59.8 -36.8 -17.9 -17.1 7.2 113 1219 A S H 3> S+ 0 0 1 -89,-0.6 4,-0.7 1,-0.2 -1,-0.3 0.769 101.0 55.8 -64.9 -26.0 -18.7 -16.8 3.4 114 1220 A K H X4 S+ 0 0 42 -3,-0.9 3,-0.8 -90,-0.3 -1,-0.2 0.944 109.1 45.0 -69.8 -46.8 -22.1 -15.2 4.4 115 1221 A S H >< S+ 0 0 7 -4,-1.4 3,-1.6 1,-0.2 4,-0.2 0.781 103.5 65.5 -65.5 -29.3 -20.4 -12.5 6.5 116 1222 A N H >< S+ 0 0 2 -4,-1.7 3,-1.1 1,-0.3 4,-0.4 0.792 88.8 68.2 -64.1 -26.0 -17.8 -11.9 3.6 117 1223 A Q T << S+ 0 0 12 -3,-0.8 7,-0.8 -4,-0.7 -1,-0.3 0.673 102.2 46.9 -64.8 -18.8 -20.7 -10.7 1.4 118 1224 A Y T X S+ 0 0 73 -3,-1.6 3,-1.5 -4,-0.2 -1,-0.2 0.370 76.6 99.9-108.9 1.8 -21.0 -7.6 3.7 119 1225 A V T < S+ 0 0 14 -3,-1.1 -34,-0.2 1,-0.3 -1,-0.1 0.900 97.9 33.3 -53.7 -42.9 -17.4 -6.5 4.0 120 1226 A Y T 3 S- 0 0 47 -4,-0.4 6,-0.4 1,-0.4 -1,-0.3 0.222 129.4 -91.8-100.3 17.2 -18.1 -3.8 1.4 121 1227 A G S X S- 0 0 13 -3,-1.5 3,-2.0 4,-0.1 -1,-0.4 -0.554 77.4 -7.2 105.8-173.7 -21.7 -3.2 2.5 122 1228 A I G > S+ 0 0 157 1,-0.3 3,-2.1 2,-0.2 -4,-0.1 -0.310 136.5 0.6 -58.9 131.5 -25.2 -4.6 1.5 123 1229 A G G 3 S- 0 0 35 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.709 131.1 -66.1 59.1 22.2 -24.9 -6.9 -1.6 124 1230 A G G X S- 0 0 1 -3,-2.0 3,-2.1 -7,-0.8 -1,-0.3 0.410 72.4-134.0 79.3 1.9 -21.1 -6.2 -1.5 125 1231 A G T < - 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