==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-NOV-12 4HYF . COMPND 2 MOLECULE: TANKYRASE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.PERDREAU,B.EKBLAD,A.VORONKOV,D.D.HOLSWORTH,J.WAALER,G.DREW . 681 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 18.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 103 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 1 0 3 0 0 0 1 2 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 3 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 . 6 0 5 2 3 3 5 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 2 0 1 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 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 1 936 A G 0 0 88 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.3 -11.3 36.4 19.8 2 937 A T + 0 0 17 547,-0.1 547,-2.3 2,-0.0 2,-0.3 0.193 360.0 104.2-114.6 12.5 -13.5 34.9 22.6 3 938 A E B S-A 548 0A 59 545,-0.2 2,-1.5 1,-0.0 3,-0.3 -0.729 77.4-119.3 -93.4 145.2 -11.7 36.6 25.5 4 939 A N + 0 0 7 543,-3.2 543,-0.5 -2,-0.3 542,-0.2 -0.650 62.6 134.2 -84.1 87.3 -13.3 39.5 27.4 5 940 A L S S+ 0 0 21 -2,-1.5 3,-0.4 541,-0.1 -1,-0.2 0.827 70.8 36.5 -99.6 -44.7 -10.6 42.1 26.8 6 941 A Y S S+ 0 0 17 -3,-0.3 -2,-0.1 1,-0.2 454,-0.1 0.721 116.7 48.5 -84.5 -23.5 -12.6 45.2 25.7 7 942 A F S S+ 0 0 13 86,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.166 70.7 142.6-121.0 41.6 -15.7 44.9 27.9 8 943 A Q - 0 0 16 -3,-0.4 2,-0.2 1,-0.1 -3,-0.1 -0.407 56.8 -97.4 -78.7 156.0 -14.5 44.2 31.5 9 944 A S - 0 0 54 -2,-0.1 2,-0.3 1,-0.1 536,-0.1 -0.506 36.0-124.8 -73.5 139.6 -16.3 45.7 34.5 10 945 A M - 0 0 32 -2,-0.2 2,-0.3 58,-0.1 -1,-0.1 -0.688 23.3-148.0 -86.5 137.7 -14.8 48.8 36.0 11 946 A L - 0 0 35 -2,-0.3 2,-0.3 532,-0.1 57,-0.0 -0.783 31.7 -83.6-109.2 151.3 -13.9 48.8 39.7 12 947 A N - 0 0 109 -2,-0.3 -1,-0.1 1,-0.1 54,-0.0 -0.299 36.1-171.7 -57.1 111.5 -13.9 51.6 42.2 13 948 A T - 0 0 46 -2,-0.3 -1,-0.1 4,-0.1 5,-0.1 0.998 50.2 -99.0 -63.2 -70.7 -10.7 53.6 41.9 14 949 A S - 0 0 110 3,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.355 64.1-121.4-147.9 -57.2 -11.4 55.8 45.0 15 950 A G S S+ 0 0 36 2,-0.1 3,-0.1 0, 0.0 52,-0.1 0.688 75.1 106.3-149.3 164.9 -12.3 58.1 43.5 16 951 A S S S+ 0 0 113 52,-0.0 51,-0.1 53,-0.0 2,-0.0 0.903 85.0 11.9 -99.1 -58.3 -12.1 61.8 42.5 17 952 A G S S- 0 0 24 49,-0.2 2,-0.7 52,-0.0 51,-0.6 -0.035 81.7 -60.9 152.1 105.2 -11.0 61.3 39.8 18 953 A T E -J 67 0B 29 49,-0.2 2,-0.5 -3,-0.1 49,-0.2 -0.915 44.4-173.2 -95.7 114.4 -9.7 60.2 36.4 19 954 A I E -J 66 0B 74 47,-2.8 47,-2.7 -2,-0.7 2,-0.5 -0.927 13.6-145.1-109.9 130.6 -6.9 57.7 37.0 20 955 A L E -J 65 0B 62 -2,-0.5 2,-0.6 45,-0.2 45,-0.2 -0.814 8.4-153.8 -94.7 132.1 -4.8 56.4 34.1 21 956 A I E -J 64 0B 78 43,-1.7 43,-2.3 -2,-0.5 2,-0.7 -0.927 13.7-135.0-108.1 121.1 -3.7 52.7 34.2 22 957 A D E -J 63 0B 93 -2,-0.6 2,-0.5 41,-0.2 41,-0.2 -0.641 16.3-153.9 -80.7 113.4 -0.5 51.9 32.3 23 958 A L - 0 0 18 39,-1.7 39,-0.5 -2,-0.7 -1,-0.0 -0.730 12.9-132.8 -86.9 128.5 -0.8 48.7 30.3 24 959 A S > - 0 0 60 -2,-0.5 3,-1.8 1,-0.1 6,-0.4 -0.522 19.0-119.4 -78.4 148.9 2.4 46.9 29.6 25 960 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.580 111.4 64.2 -63.9 -11.4 3.0 45.7 26.0 26 961 A D T 3 S+ 0 0 141 4,-0.1 2,-0.2 5,-0.0 -3,-0.0 0.609 81.6 96.2 -88.5 -15.0 3.1 42.1 27.2 27 962 A D S <> S- 0 0 41 -3,-1.8 4,-1.9 1,-0.1 3,-0.2 -0.538 77.6-134.8 -73.6 139.8 -0.5 42.2 28.2 28 963 A K H > S+ 0 0 83 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.732 104.7 60.9 -70.7 -20.6 -2.9 40.8 25.7 29 964 A E H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 105.9 46.4 -69.6 -43.2 -5.2 43.8 26.2 30 965 A F H > S+ 0 0 11 -6,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.940 113.6 49.1 -59.5 -49.9 -2.4 46.2 25.1 31 966 A Q H X S+ 0 0 94 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.855 109.1 51.8 -63.7 -38.7 -1.6 44.0 22.1 32 967 A S H X S+ 0 0 32 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.950 113.0 43.7 -63.0 -50.4 -5.3 43.7 20.9 33 968 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.885 114.3 51.9 -62.0 -39.9 -5.8 47.5 21.0 34 969 A E H X S+ 0 0 63 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.935 111.8 44.8 -61.4 -48.5 -2.4 48.0 19.3 35 970 A E H X S+ 0 0 120 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.864 111.6 52.6 -67.0 -36.0 -3.2 45.6 16.5 36 971 A E H X S+ 0 0 46 -4,-2.4 4,-1.0 -5,-0.2 94,-0.4 0.883 111.6 48.3 -65.3 -37.4 -6.7 47.1 16.1 37 972 A M H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.930 117.7 39.9 -64.6 -47.8 -5.0 50.4 15.8 38 973 A Q H >< S+ 0 0 33 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.884 115.0 49.2 -71.5 -41.4 -2.4 49.2 13.2 39 974 A S H 3< S+ 0 0 53 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.692 100.3 63.1 -78.6 -20.3 -4.6 47.0 11.1 40 975 A T T 3< S+ 0 0 13 -4,-1.0 91,-0.5 -5,-0.2 2,-0.4 0.221 72.5 123.7 -92.7 16.5 -7.5 49.4 10.5 41 976 A V < - 0 0 24 -3,-0.9 2,-0.3 14,-0.2 -3,-0.0 -0.636 39.6-174.4 -79.4 128.8 -5.4 51.9 8.6 42 977 A R - 0 0 121 -2,-0.4 2,-0.7 87,-0.0 -2,-0.0 -0.833 33.1-102.7-121.5 160.7 -6.7 52.8 5.1 43 978 A E - 0 0 194 -2,-0.3 2,-0.1 10,-0.0 12,-0.1 -0.742 46.5-140.9 -82.7 114.5 -5.5 54.8 2.1 44 979 A H > - 0 0 34 -2,-0.7 3,-1.1 1,-0.1 5,-0.0 -0.373 12.6-126.0 -86.2 156.8 -7.5 58.1 2.2 45 980 A R T 3 S+ 0 0 202 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.738 104.7 63.2 -71.0 -26.2 -8.9 60.1 -0.7 46 981 A D T 3 S- 0 0 65 1,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.615 112.7-113.7 -74.4 -11.3 -7.3 63.4 0.3 47 982 A G S < S- 0 0 54 -3,-1.1 -2,-0.1 1,-0.2 -1,-0.1 0.602 73.8 -56.4 83.8 14.6 -3.9 61.9 -0.2 48 983 A G S > S+ 0 0 13 5,-0.1 4,-1.1 3,-0.0 -1,-0.2 0.651 97.0 144.5 88.3 20.0 -3.3 62.2 3.5 49 984 A H T 4 S+ 0 0 119 1,-0.2 103,-0.1 2,-0.1 4,-0.1 0.768 76.8 26.3 -62.7 -27.7 -4.0 66.0 3.4 50 985 A A T 4 S+ 0 0 10 2,-0.2 -1,-0.2 103,-0.0 88,-0.2 0.857 133.8 26.9-102.5 -50.9 -5.7 65.9 6.8 51 986 A G T 4 S- 0 0 3 1,-0.3 2,-0.2 102,-0.1 -2,-0.1 0.764 108.9-111.6 -89.0 -27.9 -4.3 63.1 8.8 52 987 A G < - 0 0 6 -4,-1.1 2,-0.7 101,-0.1 -1,-0.3 -0.496 35.0 -63.4 117.2 170.9 -0.9 62.8 7.2 53 988 A I S S+ 0 0 95 -2,-0.2 2,-0.3 100,-0.1 -5,-0.1 -0.858 75.7 117.0-100.3 114.0 1.0 60.3 5.0 54 989 A F - 0 0 23 -2,-0.7 170,-0.1 170,-0.1 3,-0.1 -0.979 49.8-155.3-163.9 170.1 1.6 56.9 6.7 55 990 A N S S+ 0 0 119 168,-0.5 2,-0.3 1,-0.4 -14,-0.2 0.522 84.5 6.6-124.6 -26.7 1.0 53.2 6.7 56 991 A R - 0 0 125 167,-0.4 167,-1.8 75,-0.0 -1,-0.4 -0.894 69.1-121.5-148.6 174.8 1.5 52.4 10.4 57 992 A Y B -P 222 0C 0 -2,-0.3 2,-0.7 165,-0.2 165,-0.2 -0.735 18.7-120.6-118.1 169.6 2.0 54.2 13.8 58 993 A N - 0 0 63 163,-2.7 2,-0.5 -2,-0.2 163,-0.2 -0.859 32.6-151.7-106.7 90.7 4.6 54.2 16.6 59 994 A I + 0 0 21 -2,-0.7 161,-0.2 161,-0.2 3,-0.1 -0.522 24.1 169.3 -67.3 117.5 2.4 53.1 19.5 60 995 A L + 0 0 68 159,-2.6 2,-0.3 -2,-0.5 160,-0.2 0.819 60.0 2.0-100.9 -40.2 4.1 54.7 22.6 61 996 A K E - K 0 219B 95 158,-1.9 158,-2.3 2,-0.0 2,-0.4 -0.996 47.6-164.8-149.2 143.7 1.6 54.2 25.4 62 997 A I E - K 0 218B 1 -39,-0.5 -39,-1.7 -2,-0.3 2,-0.3 -0.934 21.8-178.7-128.9 111.6 -1.8 52.6 25.8 63 998 A Q E -JK 22 217B 17 154,-2.7 154,-3.1 -2,-0.4 2,-0.6 -0.807 24.5-131.2-110.2 150.2 -3.5 53.6 29.0 64 999 A K E -JK 21 216B 23 -43,-2.3 -43,-1.7 -2,-0.3 2,-0.6 -0.893 22.8-134.6-102.7 119.5 -6.9 52.6 30.5 65 1000 A V E -J 20 0B 0 150,-3.1 2,-0.6 -2,-0.6 -45,-0.2 -0.617 22.2-170.6 -80.4 114.3 -9.1 55.5 31.5 66 1001 A C E +J 19 0B 22 -47,-2.7 -47,-2.8 -2,-0.6 2,-0.4 -0.896 18.2 152.4-111.6 109.8 -10.7 54.9 34.9 67 1002 A N E > -J 18 0B 12 -2,-0.6 4,-1.6 -49,-0.2 5,-0.2 -0.971 30.2-158.0-137.5 121.1 -13.3 57.3 36.1 68 1003 A K H > S+ 0 0 86 -51,-0.6 4,-2.8 -2,-0.4 -1,-0.1 0.948 94.6 44.4 -62.2 -51.6 -16.1 56.3 38.5 69 1004 A K H 4 S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.895 114.5 48.4 -62.3 -43.2 -18.6 59.1 37.6 70 1005 A L H > S+ 0 0 11 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.807 114.8 47.7 -67.8 -28.9 -18.0 58.7 33.9 71 1006 A W H X S+ 0 0 31 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.920 109.1 50.1 -76.9 -46.7 -18.5 54.9 34.2 72 1007 A E H < S+ 0 0 97 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.250 113.7 49.5 -78.8 13.9 -21.7 55.0 36.4 73 1008 A R H > S+ 0 0 49 -3,-0.4 4,-1.4 -5,-0.1 -1,-0.2 0.571 110.3 48.1-115.2 -32.3 -23.1 57.4 33.8 74 1009 A Y H X S+ 0 0 2 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.919 111.5 49.7 -72.0 -46.3 -22.2 55.2 30.8 75 1010 A T H X S+ 0 0 37 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.866 109.3 52.2 -62.5 -38.6 -23.7 52.1 32.3 76 1011 A H H > S+ 0 0 57 -5,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 113.1 44.2 -64.6 -42.9 -26.9 53.9 33.2 77 1012 A R H X S+ 0 0 18 -4,-1.4 4,-2.7 133,-0.2 -2,-0.2 0.892 113.0 52.2 -66.8 -40.1 -27.3 55.1 29.6 78 1013 A R H X S+ 0 0 39 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.921 108.8 48.8 -63.1 -46.4 -26.3 51.7 28.2 79 1014 A K H X S+ 0 0 106 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.874 112.4 51.0 -59.9 -37.6 -28.9 49.9 30.3 80 1015 A E H X S+ 0 0 23 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.940 111.1 45.1 -66.4 -50.3 -31.5 52.4 29.2 81 1016 A V H < S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 7,-0.2 0.880 111.2 56.1 -60.7 -38.8 -30.7 52.0 25.5 82 1017 A S H ><>S+ 0 0 8 -4,-2.5 5,-1.7 1,-0.2 3,-1.4 0.925 105.8 49.5 -58.6 -47.2 -30.7 48.3 26.0 83 1018 A E H ><5S+ 0 0 71 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.778 111.1 49.9 -65.1 -27.6 -34.3 48.3 27.4 84 1019 A E T 3<5S+ 0 0 71 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.437 113.3 49.2 -89.0 -0.5 -35.4 50.4 24.5 85 1020 A N T X 5S- 0 0 22 -3,-1.4 3,-1.9 -4,-0.3 -1,-0.2 -0.248 123.7 -86.9-136.9 47.0 -33.8 48.0 22.0 86 1021 A H T < 5S- 0 0 158 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.871 86.4 -57.1 52.9 47.1 -34.9 44.5 23.1 87 1022 A N T 3 - 0 0 12 -2,-0.4 3,-0.7 62,-0.3 39,-0.1 -0.968 61.8-108.0-161.3 163.5 -10.6 65.3 18.5 99 1034 A P T 3 S+ 0 0 72 0, 0.0 3,-0.3 0, 0.0 38,-0.1 0.469 108.7 72.5 -74.4 1.5 -8.5 68.2 20.1 100 1035 A F T >> + 0 0 116 1,-0.2 4,-2.6 2,-0.1 3,-0.7 0.080 53.3 123.8-108.5 23.0 -10.5 67.7 23.3 101 1036 A V H <> S+ 0 0 7 -3,-0.7 4,-1.9 1,-0.3 -1,-0.2 0.857 73.8 53.7 -51.5 -43.3 -9.0 64.4 24.5 102 1037 A N H 34 S+ 0 0 115 -3,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.863 113.6 42.8 -63.3 -35.9 -7.9 65.9 27.9 103 1038 A A H X>>S+ 0 0 51 -3,-0.7 4,-3.3 2,-0.2 3,-0.9 0.876 109.9 56.9 -75.8 -40.2 -11.4 67.1 28.5 104 1039 A I H 3X5S+ 0 0 11 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.861 108.6 46.2 -61.0 -37.3 -13.1 63.9 27.3 105 1040 A I H 3<5S+ 0 0 7 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.550 120.8 38.7 -86.4 -5.8 -11.2 61.7 29.7 106 1041 A H H <45S+ 0 0 88 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.1 0.739 135.4 14.6-106.6 -35.6 -11.9 64.1 32.7 107 1042 A K H <5S- 0 0 162 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.1 0.540 104.1-118.2-117.3 -14.5 -15.5 65.2 32.0 108 1043 A G << - 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