==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAY-09 3HKV . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 10; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KARLBERG,M.MOCHE,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA, . 383 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 23.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.3 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 . 21 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 19.1 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+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 0 0 1 1 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 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 0 PARALLEL BRIDGES PER LADDER . 4 2 2 2 0 0 3 2 1 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 1 817 A W 0 0 188 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.2 10.0 35.6 12.7 2 818 A N - 0 0 126 1,-0.1 3,-0.1 2,-0.0 0, 0.0 -0.562 360.0-171.4 -78.9 138.1 12.9 37.8 11.4 3 819 A N + 0 0 54 -2,-0.2 38,-2.4 1,-0.1 2,-0.4 0.656 65.5 61.2 -96.2 -21.0 15.2 39.3 14.0 4 820 A L E -A 40 0A 35 36,-0.2 2,-0.5 180,-0.0 36,-0.2 -0.933 54.0-176.6-124.9 130.5 17.3 41.7 11.7 5 821 A E E -A 39 0A 118 34,-2.1 34,-2.9 -2,-0.4 2,-0.1 -0.966 25.7-129.3-133.4 116.7 16.2 44.6 9.6 6 822 A R E -A 38 0A 151 -2,-0.5 2,-0.4 32,-0.3 32,-0.3 -0.402 23.1-138.8 -65.8 132.7 18.6 46.5 7.4 7 823 A L - 0 0 11 30,-2.9 30,-0.4 -2,-0.1 2,-0.2 -0.766 17.1-117.3 -91.7 139.8 18.5 50.3 7.9 8 824 A A - 0 0 64 -2,-0.4 3,-0.4 1,-0.1 6,-0.4 -0.500 20.9-126.6 -70.1 143.1 18.6 52.7 4.9 9 825 A E S S+ 0 0 118 1,-0.3 2,-1.2 -2,-0.2 -1,-0.1 0.825 103.3 63.9 -59.8 -33.7 21.7 54.9 4.9 10 826 A N S S+ 0 0 149 4,-0.1 2,-0.3 5,-0.0 -1,-0.3 -0.415 84.3 101.2 -95.8 57.1 19.6 58.1 4.6 11 827 A T S > S- 0 0 51 -2,-1.2 4,-2.1 -3,-0.4 5,-0.2 -0.968 77.4-124.2-133.2 155.4 17.8 57.7 7.9 12 828 A G H > S+ 0 0 55 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.877 111.5 53.8 -62.7 -36.8 18.4 59.4 11.2 13 829 A E H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.953 109.2 45.9 -69.9 -48.2 18.8 56.1 12.9 14 830 A F H > S+ 0 0 19 -6,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.924 115.2 47.4 -54.8 -47.5 21.5 54.8 10.6 15 831 A Q H X S+ 0 0 96 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.901 110.7 50.7 -71.1 -37.2 23.4 58.0 10.8 16 832 A E H X S+ 0 0 129 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.907 111.5 47.8 -62.9 -46.4 23.2 58.3 14.5 17 833 A V H X S+ 0 0 18 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.905 113.6 47.8 -59.4 -43.7 24.5 54.7 15.0 18 834 A V H X S+ 0 0 22 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.880 108.4 54.0 -70.7 -35.4 27.4 55.2 12.6 19 835 A R H X S+ 0 0 139 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.928 109.7 47.8 -62.8 -46.2 28.4 58.6 14.2 20 836 A A H X S+ 0 0 46 -4,-1.9 4,-0.9 2,-0.2 88,-0.2 0.889 112.1 51.3 -62.1 -36.6 28.7 56.9 17.6 21 837 A F H >< S+ 0 0 0 -4,-1.8 3,-0.9 2,-0.2 87,-0.2 0.961 114.1 41.1 -64.2 -54.4 30.7 54.1 16.0 22 838 A Y H >X S+ 0 0 61 -4,-2.8 3,-1.6 1,-0.2 4,-0.5 0.879 105.1 66.7 -64.2 -36.2 33.2 56.4 14.2 23 839 A D H 3< S+ 0 0 115 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.767 112.5 32.5 -57.1 -28.7 33.4 58.7 17.3 24 840 A T T << S+ 0 0 25 -3,-0.9 85,-2.3 -4,-0.9 -1,-0.3 0.216 91.5 93.0-115.0 22.4 35.1 55.8 19.3 25 841 A L T X4 + 0 0 0 -3,-1.6 3,-1.8 83,-0.2 -2,-0.1 0.660 62.7 178.0 -84.6 -18.2 37.0 54.1 16.5 26 842 A D G >< + 0 0 56 -4,-0.5 3,-2.4 1,-0.3 4,-0.2 -0.202 67.3 4.4 57.7-132.6 40.1 56.2 17.3 27 843 A A G > S+ 0 0 96 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.773 129.8 62.5 -58.0 -26.4 43.1 55.4 15.1 28 844 A A G X> S+ 0 0 25 -3,-1.8 3,-1.8 1,-0.2 4,-0.8 0.574 73.1 97.5 -74.7 -11.2 40.9 52.9 13.1 29 845 A R G <4 S+ 0 0 147 -3,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.837 85.2 48.7 -42.6 -42.9 38.6 55.8 11.9 30 846 A S G <4 S+ 0 0 108 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 0.642 115.1 41.4 -71.8 -24.2 40.5 55.9 8.6 31 847 A S T <4 S+ 0 0 42 -3,-1.8 160,-1.9 -4,-0.2 2,-0.5 0.275 93.6 84.4-115.5 3.0 40.5 52.2 7.8 32 848 A I E < - B 0 190A 6 -4,-0.8 2,-0.5 -3,-0.5 158,-0.2 -0.962 51.6-169.2-118.8 126.8 37.1 50.9 8.7 33 849 A R E - B 0 189A 133 156,-2.8 156,-2.3 -2,-0.5 2,-0.6 -0.933 21.2-129.9-112.0 132.0 34.2 51.1 6.3 34 850 A V E + B 0 188A 20 -2,-0.5 154,-0.3 154,-0.2 3,-0.1 -0.716 23.7 179.5 -78.7 121.9 30.6 50.4 7.3 35 851 A V E - 0 0 31 152,-2.6 2,-0.3 -2,-0.6 153,-0.2 0.863 65.2 -13.2 -87.6 -40.7 29.0 47.9 4.9 36 852 A R E - B 0 187A 70 151,-1.5 151,-2.6 2,-0.0 2,-0.4 -0.978 52.0-150.9-161.2 144.9 25.5 47.6 6.5 37 853 A V E - B 0 186A 0 -30,-0.4 -30,-2.9 -2,-0.3 2,-0.4 -0.997 19.3-170.5-124.4 133.2 23.7 48.5 9.7 38 854 A E E -AB 6 185A 25 147,-2.4 147,-2.6 -2,-0.4 2,-0.4 -0.947 21.1-127.7-121.4 141.9 20.8 46.3 10.9 39 855 A R E -AB 5 184A 85 -34,-2.9 -34,-2.1 -2,-0.4 2,-0.4 -0.736 23.1-144.1 -82.2 133.6 18.3 46.8 13.7 40 856 A V E -A 4 0A 12 143,-2.6 2,-0.4 -2,-0.4 -36,-0.2 -0.840 15.1-169.1 -99.5 136.1 18.0 43.8 16.1 41 857 A S + 0 0 57 -38,-2.4 142,-0.1 -2,-0.4 4,-0.0 -0.989 20.2 156.5-130.0 124.0 14.6 43.0 17.5 42 858 A H > - 0 0 35 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.680 15.6-173.3-148.1 85.4 14.0 40.6 20.3 43 859 A P H > S+ 0 0 86 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.860 82.2 46.3 -56.0 -42.3 10.7 41.4 22.0 44 860 A L H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.948 114.3 46.5 -66.3 -48.9 11.0 38.9 24.8 45 861 A L H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.907 110.5 55.0 -61.6 -35.9 14.6 39.8 25.7 46 862 A Q H X S+ 0 0 79 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.914 109.3 46.4 -64.6 -42.3 13.8 43.5 25.5 47 863 A Q H X S+ 0 0 90 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.875 113.2 48.4 -67.3 -37.8 11.0 43.1 28.0 48 864 A Q H X S+ 0 0 8 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.900 112.8 49.4 -65.3 -41.9 13.2 41.0 30.4 49 865 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.881 107.6 53.6 -59.6 -45.1 15.9 43.6 30.0 50 866 A E H X S+ 0 0 70 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.868 108.0 51.3 -63.4 -36.4 13.4 46.5 30.8 51 867 A L H X S+ 0 0 28 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.909 111.7 45.9 -65.2 -40.9 12.4 44.6 34.0 52 868 A Y H X S+ 0 0 20 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.922 112.7 51.9 -66.3 -43.3 16.0 44.3 35.1 53 869 A R H X S+ 0 0 71 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.923 108.0 51.0 -57.8 -48.4 16.6 48.0 34.2 54 870 A E H X S+ 0 0 99 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.933 111.5 47.7 -57.6 -49.2 13.6 49.1 36.3 55 871 A R H X S+ 0 0 93 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.878 112.4 48.7 -59.3 -39.3 14.9 47.2 39.3 56 872 A L H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.881 109.6 51.5 -71.0 -40.0 18.4 48.5 39.0 57 873 A L H < S+ 0 0 62 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.853 112.7 47.1 -63.7 -35.5 17.2 52.1 38.6 58 874 A Q H < S+ 0 0 128 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.903 119.0 39.8 -70.6 -39.8 15.1 51.7 41.8 59 875 A R H < S+ 0 0 104 -4,-2.2 2,-0.4 -5,-0.2 -2,-0.2 0.820 103.7 73.7 -81.2 -36.3 18.0 50.1 43.7 60 876 A C < - 0 0 8 -4,-2.7 5,-0.1 -5,-0.2 75,-0.0 -0.689 48.0-173.4 -91.0 134.4 20.9 52.2 42.6 61 877 A E + 0 0 169 -2,-0.4 -1,-0.1 2,-0.0 2,-0.1 0.721 69.6 79.3 -88.2 -27.8 21.6 55.7 43.7 62 878 A R S S- 0 0 183 2,-0.1 -2,-0.1 3,-0.0 3,-0.0 -0.434 79.2-107.4 -82.5 160.1 24.5 56.1 41.2 63 879 A R S S+ 0 0 137 1,-0.2 2,-0.1 -2,-0.1 -2,-0.0 -0.972 80.8 35.5-141.8 152.9 24.1 56.8 37.5 64 880 A P + 0 0 90 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.539 51.5 169.8 -82.6 152.3 24.3 55.8 34.8 65 881 A V S S+ 0 0 5 69,-0.1 70,-2.6 1,-0.1 69,-0.6 0.645 70.9 50.8 -92.0 -20.6 23.2 52.2 35.4 66 882 A E E -C 133 0A 53 67,-0.3 2,-0.3 68,-0.2 67,-0.2 -0.926 65.7-178.3-126.7 139.4 23.0 51.6 31.6 67 883 A Q E -C 132 0A 22 65,-2.2 65,-2.7 -2,-0.4 2,-0.6 -0.986 30.8-120.6-137.5 148.5 25.5 52.2 28.9 68 884 A V E +C 131 0A 90 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.810 47.7 169.9 -84.1 122.3 25.7 51.8 25.1 69 885 A L E -C 130 0A 0 61,-2.8 61,-3.0 -2,-0.6 2,-0.3 -0.901 28.8-117.1-135.0 166.9 28.6 49.4 24.5 70 886 A Y E -CD 129 105A 10 35,-3.2 35,-2.9 -2,-0.3 2,-0.3 -0.742 16.7-171.3-109.2 146.4 30.2 47.3 21.6 71 887 A H E -C 128 0A 9 57,-2.1 57,-2.9 -2,-0.3 2,-0.3 -0.884 9.6-157.5-138.5 105.2 30.6 43.6 21.2 72 888 A G E +C 127 0A 10 -2,-0.3 2,-0.3 55,-0.3 55,-0.2 -0.593 23.5 168.9 -74.7 142.4 32.7 42.2 18.4 73 889 A T E -C 126 0A 5 53,-2.6 53,-0.8 -2,-0.3 2,-0.2 -0.879 34.7 -90.9-144.6 179.4 31.9 38.7 17.3 74 890 A T >> - 0 0 49 -2,-0.3 4,-0.7 43,-0.2 3,-0.5 -0.604 41.2-111.0 -87.8 152.8 32.5 36.0 14.7 75 891 A A G >4 S+ 0 0 42 43,-0.4 3,-1.1 1,-0.2 -1,-0.1 0.881 114.3 53.8 -49.1 -45.4 30.2 35.5 11.7 76 892 A P G 34 S+ 0 0 99 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.854 103.0 55.6 -71.2 -26.7 28.8 32.2 12.9 77 893 A A G <> S+ 0 0 9 -3,-0.5 4,-2.5 1,-0.2 3,-0.2 0.665 86.4 87.0 -73.9 -13.5 27.7 33.5 16.3 78 894 A V H S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.854 113.4 50.9 -67.9 -28.2 22.4 34.4 14.3 80 896 A D H > S+ 0 0 14 -4,-0.5 4,-3.1 -3,-0.2 5,-0.3 0.924 109.7 49.4 -70.0 -42.3 22.6 33.0 17.8 81 897 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 9,-0.2 -1,-0.2 0.948 112.8 47.5 -63.9 -44.8 23.1 36.4 19.3 82 898 A C H < S+ 0 0 3 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.885 120.2 38.5 -61.8 -38.8 20.1 37.9 17.4 83 899 A A H < S+ 0 0 25 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.813 136.0 16.5 -79.4 -31.2 17.9 35.0 18.4 84 900 A H H < S- 0 0 35 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.447 94.4-127.3-127.8 -1.1 19.2 34.5 22.0 85 901 A G < - 0 0 0 -4,-2.9 2,-0.5 -5,-0.3 -1,-0.3 -0.340 57.8 -26.8 77.8-166.3 21.1 37.6 23.2 86 902 A F S S+ 0 0 2 94,-0.4 2,-0.3 91,-0.4 93,-0.2 -0.725 72.9 144.9 -95.3 132.3 24.6 37.5 24.7 87 903 A N > - 0 0 17 -2,-0.5 4,-0.7 1,-0.1 14,-0.1 -0.925 59.5-124.1-147.3 161.2 25.8 34.3 26.4 88 904 A R T 4 S+ 0 0 48 -2,-0.3 -1,-0.1 2,-0.1 13,-0.0 0.788 119.4 50.4 -74.1 -26.4 28.8 32.4 26.9 89 905 A S T 4 S+ 0 0 11 278,-0.2 -1,-0.1 1,-0.1 4,-0.1 0.783 123.3 24.3 -81.0 -30.5 26.7 29.7 25.4 90 906 A F T 4 S+ 0 0 4 2,-0.1 -9,-0.2 277,-0.1 -10,-0.2 0.646 115.9 69.6-106.6 -23.1 25.3 31.4 22.3 91 907 A C S < S- 0 0 10 -4,-0.7 2,-0.2 -11,-0.1 3,-0.1 -0.221 98.5 -96.6 -74.9 179.2 28.1 34.0 21.9 92 908 A G - 0 0 24 1,-0.2 -1,-0.1 -18,-0.1 -2,-0.1 -0.618 62.3 -78.0 -84.8 156.7 31.5 33.0 20.9 93 909 A R - 0 0 171 -2,-0.2 -1,-0.2 -4,-0.1 2,-0.2 -0.247 52.7-148.8 -57.3 152.7 33.7 32.6 23.9 94 910 A N - 0 0 12 1,-0.3 8,-0.1 7,-0.2 -1,-0.1 -0.388 30.8 -69.7-104.4-173.9 34.8 35.8 25.2 95 911 A A - 0 0 29 -2,-0.2 -1,-0.3 1,-0.1 6,-0.3 -0.055 32.9-151.1 -66.0-178.4 38.1 36.7 27.0 96 912 A T > + 0 0 27 4,-0.1 3,-2.0 -3,-0.1 47,-0.7 0.520 66.0 98.8-131.6 -15.3 38.8 35.4 30.5 97 913 A V T 3 S+ 0 0 67 1,-0.3 45,-0.5 45,-0.2 3,-0.1 0.668 96.4 30.3 -58.1 -29.0 41.2 38.0 32.1 98 914 A Y T 3 S- 0 0 63 1,-0.6 43,-0.7 43,-0.2 -1,-0.3 0.215 134.3 -60.9-114.2 18.9 38.5 39.9 34.1 99 915 A G < - 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