==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-MAY-13 4KRS . COMPND 2 MOLECULE: TANKYRASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.STAMS,C.KIRBY . 412 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 68.0 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 . 83 20.1 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 . 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 . 49 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.6 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 . 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 0 2 0 2 0 0 0 1 1 0 0 0 1 1 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 . 3 0 3 3 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 1 0 1 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 1105 A G 0 0 107 0, 0.0 51,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-128.1 -9.1 2.6 24.6 2 1106 A T - 0 0 28 49,-0.1 2,-0.4 50,-0.1 49,-0.2 -0.536 360.0-163.0 -79.4 133.4 -9.0 -0.5 22.4 3 1107 A I E -A 50 0A 98 47,-3.3 47,-2.7 -2,-0.3 2,-0.5 -0.960 7.4-148.0-113.1 135.2 -6.0 -2.8 22.5 4 1108 A L E -A 49 0A 63 -2,-0.4 2,-0.6 45,-0.2 45,-0.2 -0.876 5.7-157.3-103.9 127.3 -5.3 -5.3 19.8 5 1109 A L E -A 48 0A 81 43,-2.6 43,-3.0 -2,-0.5 2,-0.6 -0.904 13.6-139.4-101.9 124.3 -3.6 -8.6 20.6 6 1110 A D E -A 47 0A 108 -2,-0.6 2,-0.2 41,-0.2 41,-0.2 -0.704 15.4-146.6 -85.4 121.2 -1.9 -10.3 17.7 7 1111 A L - 0 0 26 39,-2.6 39,-0.4 -2,-0.6 -1,-0.0 -0.591 13.6-125.5 -83.8 147.1 -2.3 -14.1 17.8 8 1112 A A > - 0 0 29 -2,-0.2 3,-1.1 1,-0.1 6,-0.4 -0.711 15.9-122.7 -94.9 146.7 0.5 -16.3 16.5 9 1113 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.641 113.0 58.5 -59.8 -16.0 -0.2 -19.0 13.7 10 1114 A E T 3 S+ 0 0 141 4,-0.1 5,-0.1 5,-0.0 -3,-0.0 0.805 81.1 102.9 -84.6 -31.9 1.1 -21.6 16.2 11 1115 A D S <> S- 0 0 70 -3,-1.1 4,-1.8 1,-0.2 5,-0.1 -0.228 73.9-137.1 -49.7 133.7 -1.5 -20.8 18.8 12 1116 A K H > S+ 0 0 149 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.871 106.3 59.8 -59.8 -38.2 -4.3 -23.4 18.8 13 1117 A E H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 104.3 48.7 -57.3 -44.8 -6.7 -20.4 19.1 14 1118 A Y H > S+ 0 0 19 -6,-0.4 4,-2.2 1,-0.2 5,-0.3 0.940 111.7 50.2 -58.2 -45.8 -5.4 -19.1 15.8 15 1119 A Q H X S+ 0 0 104 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.734 109.4 50.4 -72.0 -22.6 -5.8 -22.5 14.2 16 1120 A S H X S+ 0 0 47 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.912 110.6 48.0 -77.7 -43.9 -9.4 -22.9 15.4 17 1121 A V H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.931 113.9 46.2 -62.7 -46.4 -10.6 -19.5 14.2 18 1122 A E H X S+ 0 0 62 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.852 110.6 55.2 -62.9 -37.7 -9.0 -20.1 10.7 19 1123 A E H X S+ 0 0 116 -4,-1.0 4,-2.1 -5,-0.3 -2,-0.2 0.904 108.8 46.6 -62.1 -41.3 -10.5 -23.6 10.7 20 1124 A E H < S+ 0 0 97 -4,-2.3 4,-0.4 2,-0.2 94,-0.3 0.883 116.1 46.8 -65.6 -37.7 -14.0 -22.1 11.3 21 1125 A M H >< S+ 0 0 0 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.964 115.8 40.9 -72.8 -52.0 -13.4 -19.5 8.6 22 1126 A Q H >< S+ 0 0 44 -4,-3.1 3,-1.0 1,-0.2 -2,-0.2 0.915 114.6 52.2 -61.2 -45.0 -11.9 -21.8 5.9 23 1127 A S T 3< S+ 0 0 60 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.452 102.2 59.2 -78.8 0.4 -14.4 -24.7 6.5 24 1128 A T T < + 0 0 13 -3,-0.9 91,-0.8 -4,-0.4 2,-0.4 0.040 68.9 127.7-116.8 26.6 -17.6 -22.6 6.3 25 1129 A I < + 0 0 31 -3,-1.0 2,-0.3 14,-0.2 -3,-0.0 -0.708 35.8 175.0 -79.0 129.8 -17.2 -21.2 2.7 26 1130 A R - 0 0 107 -2,-0.4 2,-0.4 87,-0.0 -2,-0.1 -0.895 37.5-100.5-131.0 165.2 -20.3 -21.9 0.7 27 1131 A E - 0 0 165 -2,-0.3 2,-0.2 10,-0.0 10,-0.0 -0.724 42.9-146.2 -80.8 129.3 -21.7 -21.1 -2.7 28 1132 A H > - 0 0 32 -2,-0.4 3,-1.5 1,-0.1 5,-0.1 -0.667 19.8-114.0-104.3 161.4 -24.1 -18.3 -2.4 29 1133 A R T 3 S+ 0 0 202 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.709 111.6 62.4 -68.8 -22.0 -27.3 -17.7 -4.5 30 1134 A D T > S- 0 0 58 1,-0.0 3,-2.5 0, 0.0 -1,-0.3 0.095 111.5-116.8 -90.5 20.8 -25.9 -14.6 -6.2 31 1135 A G T < S- 0 0 60 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.0 0.570 70.5 -55.2 59.7 13.8 -23.1 -16.6 -7.8 32 1136 A G T 3> S+ 0 0 16 5,-0.1 4,-2.5 -4,-0.0 -1,-0.3 0.456 98.7 135.5 94.6 5.2 -20.5 -14.6 -5.9 33 1137 A N T <4 S+ 0 0 87 -3,-2.5 -2,-0.1 1,-0.2 103,-0.1 0.941 76.1 33.3 -46.6 -57.9 -21.6 -11.2 -7.1 34 1138 A A T 4 S+ 0 0 6 1,-0.2 -1,-0.2 2,-0.1 88,-0.2 0.901 133.1 24.5 -70.0 -41.9 -21.3 -9.5 -3.7 35 1139 A G T 4 S- 0 0 3 1,-0.3 -2,-0.2 102,-0.1 -1,-0.2 0.545 103.3-117.5-112.5 -11.1 -18.4 -11.2 -2.1 36 1140 A G < - 0 0 7 -4,-2.5 2,-0.5 83,-0.1 -1,-0.3 -0.301 34.0 -63.7 100.9 178.2 -16.3 -12.6 -5.0 37 1141 A I + 0 0 96 100,-0.2 2,-0.3 -2,-0.1 -5,-0.1 -0.914 67.1 121.0-114.4 125.5 -15.2 -16.1 -6.1 38 1142 A F - 0 0 22 -2,-0.5 165,-0.1 165,-0.1 3,-0.1 -0.974 46.7-154.7-171.4 159.3 -13.0 -18.3 -4.0 39 1143 A N S S+ 0 0 98 163,-0.6 2,-0.3 -2,-0.3 -14,-0.2 0.403 87.7 28.6-116.4 -7.6 -12.7 -21.7 -2.3 40 1144 A R - 0 0 154 162,-0.5 162,-2.2 -17,-0.0 2,-0.3 -0.990 66.6-134.8-150.8 150.2 -10.2 -20.5 0.3 41 1145 A Y E - B 0 201A 3 -2,-0.3 2,-0.7 160,-0.2 160,-0.2 -0.823 16.6-137.1 -99.5 149.9 -9.1 -17.4 2.2 42 1146 A N E - B 0 200A 65 158,-2.7 158,-2.1 -2,-0.3 2,-0.6 -0.935 25.3-146.4 -96.7 106.8 -5.6 -16.4 2.7 43 1147 A V E + B 0 199A 14 -2,-0.7 156,-0.3 156,-0.2 3,-0.1 -0.638 23.5 174.5 -79.9 118.1 -5.5 -15.4 6.4 44 1148 A I E - 0 0 60 154,-2.0 2,-0.3 -2,-0.6 155,-0.2 0.848 62.3 -3.9 -91.7 -37.3 -3.1 -12.5 7.0 45 1149 A R E - B 0 198A 86 153,-1.8 153,-2.5 2,-0.0 2,-0.4 -0.987 50.5-158.8-159.9 136.4 -3.6 -11.6 10.6 46 1150 A I E - B 0 197A 2 -39,-0.4 -39,-2.6 -2,-0.3 2,-0.4 -0.984 20.2-178.2-125.4 125.0 -5.8 -12.6 13.5 47 1151 A Q E -AB 6 196A 17 149,-2.8 149,-3.8 -2,-0.4 2,-0.4 -0.943 21.7-137.5-124.9 141.3 -6.1 -10.1 16.3 48 1152 A K E -AB 5 195A 27 -43,-3.0 -43,-2.6 -2,-0.4 2,-0.5 -0.807 22.3-133.2 -96.3 130.4 -8.1 -10.3 19.6 49 1153 A V E -A 4 0A 0 145,-2.2 2,-0.5 -2,-0.4 -45,-0.2 -0.772 22.5-175.3 -88.3 125.0 -9.9 -7.1 20.5 50 1154 A V E +A 3 0A 31 -47,-2.7 -47,-3.3 -2,-0.5 2,-0.4 -0.964 15.3 154.8-119.7 111.4 -9.5 -6.0 24.2 51 1155 A N > - 0 0 10 -2,-0.5 4,-2.8 -49,-0.2 5,-0.2 -0.956 29.8-156.8-140.9 123.5 -11.6 -3.0 25.2 52 1156 A K H > S+ 0 0 171 -51,-0.4 4,-2.4 -2,-0.4 5,-0.2 0.919 94.2 49.1 -68.4 -51.4 -12.5 -2.4 28.9 53 1157 A K H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 117.7 44.3 -53.0 -40.1 -15.6 -0.2 28.3 54 1158 A L H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.873 110.5 50.9 -79.2 -38.5 -16.9 -2.8 25.8 55 1159 A R H X S+ 0 0 116 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.908 111.5 51.3 -62.3 -38.6 -16.1 -5.9 27.8 56 1160 A E H X S+ 0 0 84 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.935 111.7 45.2 -62.4 -50.6 -18.0 -4.3 30.7 57 1161 A R H X S+ 0 0 46 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.881 113.4 51.3 -62.6 -38.2 -21.0 -3.5 28.6 58 1162 A F H X S+ 0 0 14 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.973 111.7 45.7 -63.2 -54.8 -20.9 -7.0 27.1 59 1163 A C H X S+ 0 0 61 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.927 110.5 54.2 -51.7 -51.1 -20.8 -8.7 30.5 60 1164 A H H >X S+ 0 0 29 -4,-2.7 4,-1.7 1,-0.2 3,-1.0 0.969 113.4 41.9 -48.2 -61.5 -23.5 -6.5 31.9 61 1165 A R H 3X S+ 0 0 10 -4,-2.1 4,-2.3 1,-0.3 5,-0.2 0.904 109.2 59.8 -51.2 -47.6 -25.8 -7.5 29.1 62 1166 A Q H 3X S+ 0 0 30 -4,-3.0 4,-1.9 1,-0.2 -1,-0.3 0.819 104.6 50.0 -52.5 -36.6 -24.8 -11.1 29.2 63 1167 A K H <>S+ 0 0 20 -4,-1.9 5,-2.5 -5,-0.2 3,-1.4 0.920 103.4 54.7 -55.8 -42.6 -28.7 -15.2 31.5 67 1171 A E H ><5S+ 0 0 117 -4,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.866 111.8 42.7 -62.8 -35.4 -31.5 -14.5 33.9 68 1172 A E H 3<5S+ 0 0 83 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.392 112.6 55.2 -93.2 4.2 -34.2 -14.6 31.3 69 1173 A N T X<5S- 0 0 17 -3,-1.4 3,-1.5 -4,-0.5 -1,-0.2 -0.159 123.5 -88.9-130.4 40.1 -32.7 -17.7 29.6 70 1174 A H T < 5S- 0 0 152 -3,-0.6 -3,-0.2 1,-0.3 -2,-0.1 0.895 85.0 -58.7 56.2 42.6 -32.5 -20.2 32.5 71 1175 A N T 3 - 0 0 22 62,-0.4 3,-1.0 -2,-0.3 39,-0.2 -0.923 52.4-121.4-171.9 147.8 -18.9 -4.1 7.5 83 1187 A P T 3 S+ 0 0 67 0, 0.0 3,-0.2 0, 0.0 38,-0.1 0.492 111.9 58.1 -75.2 -0.9 -17.0 -1.3 6.0 84 1188 A F T >> + 0 0 146 1,-0.1 4,-1.8 2,-0.1 3,-0.7 -0.130 59.1 129.3-120.9 36.8 -17.0 0.3 9.5 85 1189 A I H <> S+ 0 0 6 -3,-1.0 4,-2.4 1,-0.3 5,-0.2 0.822 71.4 62.9 -57.4 -31.0 -15.3 -2.4 11.4 86 1190 A N H 3> S+ 0 0 104 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.868 103.2 44.8 -67.9 -37.8 -12.9 0.3 12.7 87 1191 A A H X> S+ 0 0 48 -3,-0.7 4,-2.4 1,-0.2 3,-0.6 0.872 112.1 56.9 -69.2 -33.8 -15.7 2.2 14.4 88 1192 A I H 3X S+ 0 0 15 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.923 104.4 48.2 -63.5 -46.1 -17.0 -1.2 15.8 89 1193 A I H 3< S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.614 120.1 39.1 -75.3 -10.7 -13.8 -2.2 17.5 90 1194 A H H << S+ 0 0 97 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.721 134.1 18.1-103.0 -30.7 -13.5 1.2 19.2 91 1195 A K H < S- 0 0 151 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.310 101.5-125.2-126.5 3.3 -17.1 1.9 20.0 92 1196 A G < - 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