==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-OCT-11 3UA9 . COMPND 2 MOLECULE: TANKYRASE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.NARWAL,L.LEHTIO . 415 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 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 . 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 . 47 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 16.4 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 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 2 4 0 2 2 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 . 0 0 0 0 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 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 1 952 A G 0 0 84 0, 0.0 2,-0.4 0, 0.0 51,-0.3 0.000 360.0 360.0 360.0 -12.2 11.0 12.9 9.5 2 953 A T - 0 0 22 49,-0.1 2,-0.4 88,-0.1 49,-0.2 -0.621 360.0-178.3 -87.6 127.9 12.8 10.2 11.4 3 954 A I E -A 50 0A 99 47,-2.4 47,-3.0 -2,-0.4 2,-0.5 -0.940 16.5-146.6-111.0 145.9 16.0 10.8 13.3 4 955 A L E -A 49 0A 58 -2,-0.4 2,-0.7 45,-0.2 45,-0.2 -0.964 9.2-157.1-111.3 113.3 17.8 7.9 15.1 5 956 A I E -A 48 0A 74 43,-2.9 43,-3.0 -2,-0.5 2,-0.2 -0.831 14.3-136.8 -97.1 114.7 19.5 8.8 18.4 6 957 A D E -A 47 0A 88 -2,-0.7 2,-0.4 41,-0.2 41,-0.2 -0.469 16.6-147.2 -66.9 132.1 22.3 6.5 19.3 7 958 A L - 0 0 14 39,-2.3 39,-0.4 -2,-0.2 -1,-0.0 -0.810 12.8-124.7-101.6 145.4 22.3 5.5 23.0 8 959 A S > - 0 0 56 -2,-0.4 3,-2.8 1,-0.1 6,-0.4 -0.646 23.2-114.9 -88.0 148.1 25.5 4.9 24.9 9 960 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.648 115.4 54.5 -58.4 -16.9 25.9 1.6 26.7 10 961 A D T 3 S+ 0 0 128 4,-0.1 2,-0.3 5,-0.0 -3,-0.0 0.398 80.7 110.3 -96.3 2.7 26.1 3.4 30.1 11 962 A D S <> S- 0 0 53 -3,-2.8 4,-2.1 1,-0.1 3,-0.4 -0.610 74.7-131.5 -68.6 134.5 22.8 5.2 29.5 12 963 A K H > S+ 0 0 172 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.781 108.2 55.1 -55.8 -30.2 20.1 3.8 31.9 13 964 A E H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.861 104.7 50.6 -72.8 -42.9 17.8 3.5 28.9 14 965 A F H > S+ 0 0 11 -3,-0.4 4,-2.9 -6,-0.4 5,-0.2 0.955 113.0 48.9 -55.2 -46.1 20.3 1.4 26.9 15 966 A Q H X S+ 0 0 108 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.852 110.3 46.7 -69.3 -38.7 20.6 -0.9 29.9 16 967 A S H X S+ 0 0 74 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.831 115.0 48.4 -74.3 -31.1 16.9 -1.4 30.6 17 968 A V H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.941 112.4 47.4 -72.7 -48.1 16.2 -2.1 26.9 18 969 A E H X S+ 0 0 55 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.896 109.6 54.2 -58.3 -42.8 19.1 -4.6 26.7 19 970 A E H X S+ 0 0 120 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.901 108.5 48.6 -60.9 -39.9 18.0 -6.3 29.8 20 971 A E H X S+ 0 0 71 -4,-1.6 4,-0.6 2,-0.2 94,-0.3 0.905 112.6 49.9 -66.8 -38.9 14.4 -6.8 28.4 21 972 A M H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 93,-0.3 0.971 117.7 38.5 -52.9 -60.1 16.0 -8.2 25.1 22 973 A Q H >< S+ 0 0 42 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.870 112.8 53.7 -66.5 -41.2 18.2 -10.6 27.0 23 974 A S H 3< S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.543 103.5 56.8 -81.3 -2.5 15.9 -11.7 29.7 24 975 A T T << S+ 0 0 12 -3,-0.8 91,-0.8 -4,-0.6 -1,-0.3 0.190 73.5 120.5-114.4 15.2 13.1 -12.8 27.4 25 976 A V < + 0 0 27 -3,-1.3 2,-0.3 14,-0.2 14,-0.1 -0.556 38.4 171.3 -69.2 137.7 15.0 -15.3 25.2 26 977 A R - 0 0 37 -2,-0.2 2,-0.2 12,-0.1 12,-0.1 -0.927 38.0 -95.1-136.1 169.0 13.4 -18.7 25.4 27 978 A E - 0 0 154 -2,-0.3 2,-0.3 10,-0.1 154,-0.1 -0.580 41.3-141.5 -75.3 149.2 13.9 -22.0 23.7 28 979 A H > - 0 0 29 -2,-0.2 3,-1.8 1,-0.1 5,-0.1 -0.873 17.8-119.0-118.4 151.4 11.5 -22.6 20.8 29 980 A R T 3 S+ 0 0 65 -2,-0.3 184,-2.2 1,-0.3 -1,-0.1 0.637 109.5 66.8 -66.3 -14.6 9.7 -25.8 19.7 30 981 A D T > S- 0 0 10 182,-0.2 3,-1.2 184,-0.0 -1,-0.3 0.375 108.5-122.1 -84.2 8.6 11.5 -25.8 16.3 31 982 A G T < S- 0 0 47 -3,-1.8 -2,-0.1 1,-0.2 183,-0.1 0.705 75.0 -49.0 57.5 21.3 14.8 -26.4 18.1 32 983 A G T 3> S+ 0 0 15 -4,-0.1 4,-1.8 5,-0.1 -1,-0.2 0.515 101.5 132.4 98.3 10.2 16.1 -23.2 16.5 33 984 A H T <4 S+ 0 0 74 -3,-1.2 103,-0.1 1,-0.2 -2,-0.1 0.868 77.2 32.2 -60.9 -43.6 15.1 -23.8 12.9 34 985 A A T 4 S+ 0 0 6 2,-0.1 88,-0.2 1,-0.1 -1,-0.2 0.868 136.1 17.8 -84.7 -41.9 13.5 -20.4 12.3 35 986 A G T 4 S- 0 0 2 1,-0.3 -2,-0.2 102,-0.1 2,-0.1 0.484 108.2-104.2-112.3 -6.5 15.6 -18.0 14.4 36 987 A G < - 0 0 6 -4,-1.8 2,-0.6 101,-0.1 -1,-0.3 -0.249 39.0 -68.6 100.7 167.6 18.8 -19.9 15.2 37 988 A I S S+ 0 0 100 100,-0.1 2,-0.3 -2,-0.1 -5,-0.1 -0.874 74.1 121.8 -99.5 120.1 20.3 -21.7 18.2 38 989 A F - 0 0 17 -2,-0.6 168,-0.1 168,-0.1 3,-0.1 -0.946 48.8-156.8-172.8 154.9 21.2 -19.3 21.1 39 990 A N S S+ 0 0 98 166,-0.5 2,-0.3 -2,-0.3 -14,-0.2 0.396 84.2 11.1-112.4 -9.7 20.6 -18.4 24.7 40 991 A R - 0 0 116 165,-0.4 165,-1.9 -17,-0.0 2,-0.3 -0.967 69.1-120.2-161.1 166.5 21.6 -14.7 24.5 41 992 A Y E - B 0 204A 3 -2,-0.3 2,-0.8 163,-0.2 163,-0.2 -0.841 14.9-129.3-112.7 156.1 22.5 -11.9 22.1 42 993 A N E - B 0 203A 66 161,-2.9 161,-2.0 -2,-0.3 2,-0.5 -0.912 31.9-149.2 -94.6 105.4 25.4 -9.6 21.4 43 994 A I E + B 0 202A 17 -2,-0.8 159,-0.2 159,-0.2 3,-0.1 -0.706 23.2 172.9 -80.7 124.0 23.8 -6.2 21.5 44 995 A L E - 0 0 68 157,-2.6 2,-0.3 -2,-0.5 158,-0.2 0.743 60.9 -0.9-100.3 -35.3 25.7 -3.9 19.1 45 996 A K E - B 0 201A 70 156,-1.6 156,-3.1 -37,-0.0 2,-0.4 -0.954 48.3-163.4-163.0 134.1 23.6 -0.7 19.0 46 997 A I E - B 0 200A 0 -39,-0.4 -39,-2.3 -2,-0.3 2,-0.4 -0.991 18.2-171.6-123.0 120.7 20.3 0.7 20.5 47 998 A Q E -AB 6 199A 29 152,-2.6 152,-2.7 -2,-0.4 2,-0.4 -0.944 21.0-133.2-115.1 136.0 18.9 3.7 18.8 48 999 A K E -AB 5 198A 61 -43,-3.0 -43,-2.9 -2,-0.4 2,-0.6 -0.726 23.7-138.6 -80.2 126.8 16.0 5.8 20.0 49 1000 A V E -A 4 0A 4 148,-2.9 2,-0.6 -2,-0.4 -45,-0.2 -0.812 20.6-171.6 -94.5 121.4 13.6 6.5 17.1 50 1001 A C E +A 3 0A 46 -47,-3.0 -47,-2.4 -2,-0.6 2,-0.3 -0.945 19.7 148.3-121.7 113.2 12.2 10.1 17.0 51 1002 A N > - 0 0 7 -2,-0.6 4,-2.1 -49,-0.2 5,-0.1 -0.905 28.0-160.8-147.8 120.9 9.5 11.1 14.6 52 1003 A K H > S+ 0 0 147 -51,-0.3 4,-2.8 -2,-0.3 5,-0.2 0.898 90.9 48.3 -74.8 -45.0 7.0 13.7 15.5 53 1004 A K H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 114.0 46.8 -61.0 -46.8 4.3 12.9 13.1 54 1005 A L H > S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.845 113.7 50.1 -67.0 -32.4 4.4 9.2 14.0 55 1006 A W H X S+ 0 0 86 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.934 109.9 48.8 -69.7 -48.0 4.4 10.1 17.6 56 1007 A E H X S+ 0 0 99 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.882 111.4 49.9 -61.4 -38.1 1.4 12.5 17.3 57 1008 A R H X S+ 0 0 82 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.850 111.3 50.7 -71.7 -29.3 -0.6 9.9 15.4 58 1009 A Y H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.941 112.7 43.6 -67.1 -49.5 0.2 7.3 18.1 59 1010 A T H X S+ 0 0 38 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.846 111.1 55.4 -72.4 -30.6 -0.9 9.4 21.0 60 1011 A H H X S+ 0 0 121 -4,-2.1 4,-1.8 -5,-0.2 3,-0.3 0.972 112.0 42.2 -61.0 -52.1 -4.0 10.6 19.2 61 1012 A R H X S+ 0 0 18 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.856 110.8 58.8 -59.7 -34.6 -5.2 7.0 18.6 62 1013 A R H X S+ 0 0 73 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.869 104.8 48.8 -65.4 -39.5 -4.1 6.2 22.2 63 1014 A K H X S+ 0 0 122 -4,-1.8 4,-2.3 -3,-0.3 -1,-0.2 0.866 110.7 51.4 -67.4 -39.0 -6.5 8.8 23.6 64 1015 A E H X S+ 0 0 75 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.953 113.4 44.2 -61.2 -47.1 -9.3 7.5 21.4 65 1016 A V H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.939 113.3 51.5 -63.6 -45.6 -8.7 3.9 22.7 66 1017 A S H ><>S+ 0 0 24 -4,-2.5 3,-1.9 1,-0.3 5,-1.5 0.902 105.8 52.8 -59.2 -45.8 -8.4 5.0 26.2 67 1018 A E H 3<5S+ 0 0 116 -4,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.717 109.7 50.8 -67.1 -19.6 -11.6 7.0 26.3 68 1019 A E T <<5S+ 0 0 133 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.439 111.5 50.5 -89.0 -0.1 -13.4 3.9 25.0 69 1020 A N T X 5S- 0 0 14 -3,-1.9 3,-1.3 -4,-0.3 -1,-0.2 -0.426 124.2 -85.5-141.5 57.7 -11.8 1.7 27.8 70 1021 A H T 3 5S- 0 0 149 -3,-0.3 -3,-0.2 1,-0.3 -4,-0.1 0.832 91.2 -52.2 35.3 54.4 -12.4 3.5 31.1 71 1022 A N T 3 - 0 0 20 -2,-0.4 3,-0.8 62,-0.3 39,-0.1 -0.957 64.1-104.3-164.3 165.6 10.0 -8.4 10.4 83 1034 A P T 3 S+ 0 0 71 0, 0.0 3,-0.3 0, 0.0 38,-0.1 0.596 112.9 63.5 -68.5 -6.4 12.1 -7.9 7.2 84 1035 A F T >> + 0 0 133 1,-0.2 4,-2.6 2,-0.1 3,-0.7 0.097 57.4 121.1-112.5 22.0 10.6 -4.3 6.9 85 1036 A V H <> S+ 0 0 5 -3,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.868 75.2 55.2 -50.7 -40.0 11.9 -2.6 10.0 86 1037 A N H 34 S+ 0 0 93 -3,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.839 110.6 45.6 -73.7 -26.3 13.8 0.0 8.0 87 1038 A A H X> S+ 0 0 43 -3,-0.7 4,-2.2 2,-0.1 3,-0.9 0.908 111.5 54.3 -70.3 -44.0 10.5 0.9 6.2 88 1039 A I H 3X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.872 101.9 54.3 -59.3 -43.5 8.6 0.9 9.6 89 1040 A I H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.700 117.7 37.7 -69.9 -17.1 10.9 3.4 11.4 90 1041 A H H <4 S+ 0 0 94 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.722 132.5 21.7 -98.3 -31.9 10.4 6.0 8.6 91 1042 A K H < S- 0 0 161 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.482 103.7-120.9-119.2 -8.0 6.7 5.5 7.6 92 1043 A G < - 0 0 6 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.1 0.017 48.6 -45.4 83.4 163.3 5.2 3.9 10.7 93 1044 A F - 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