==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JAN-11 3Q6Z . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KARLBERG,M.I.SIPONEN,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA,R . 185 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 7.0 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0.5 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 . 14 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 1 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 1 792 A C 0 0 109 0, 0.0 15,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 134.4 17.1 19.1 32.8 2 793 A F + 0 0 87 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.685 360.0 1.0-109.7 -27.9 13.7 17.2 32.5 3 794 A S E -A 15 0A 27 12,-1.4 12,-1.6 2,-0.0 -1,-0.4 -0.989 46.9-158.0-161.6 158.7 14.7 13.6 33.3 4 795 A R E +A 14 0A 159 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.995 15.8 175.7-141.3 130.4 17.5 11.3 34.3 5 796 A T E -A 13 0A 25 8,-1.4 8,-3.6 -2,-0.3 2,-0.4 -0.999 27.7-132.7-142.8 124.5 17.4 7.5 33.8 6 797 A V E -A 12 0A 77 -2,-0.4 6,-0.3 6,-0.2 -2,-0.0 -0.708 21.2-178.9 -80.9 130.5 20.2 5.1 34.5 7 798 A L E - 0 0 20 4,-3.2 5,-0.2 1,-0.5 -1,-0.1 0.543 69.9 -22.8-100.2 -18.6 20.6 2.8 31.5 8 799 A A E > S-A 11 0A 12 3,-1.2 3,-2.3 155,-0.1 -1,-0.5 -0.905 100.5 -48.9 177.3 164.4 23.4 0.7 33.0 9 800 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.366 129.4 1.4 -61.1 125.3 26.0 1.2 35.8 10 801 A G T 3 S+ 0 0 56 -2,-0.2 2,-0.4 1,-0.2 -4,-0.0 0.728 111.9 105.8 68.1 22.2 27.7 4.6 35.3 11 802 A V E < -A 8 0A 3 -3,-2.3 -4,-3.2 143,-0.0 -3,-1.2 -0.972 46.4-179.2-134.5 121.7 25.5 5.3 32.2 12 803 A V E -Ab 6 164A 21 151,-2.9 153,-2.7 -2,-0.4 2,-0.6 -0.923 22.6-143.6-122.7 146.2 22.7 7.9 32.2 13 804 A L E -Ab 5 165A 1 -8,-3.6 -8,-1.4 -2,-0.4 2,-0.5 -0.918 23.5-170.5-106.3 124.6 20.1 9.2 29.8 14 805 A I E -Ab 4 166A 18 151,-2.7 153,-3.1 -2,-0.6 2,-0.5 -0.944 14.2-158.9-122.2 128.0 19.4 12.9 30.2 15 806 A V E +Ab 3 167A 0 -12,-1.6 -13,-3.4 -2,-0.5 -12,-1.4 -0.944 29.8 160.0-101.8 131.4 16.6 14.9 28.5 16 807 A Q E - b 0 168A 50 151,-2.2 153,-1.0 -2,-0.5 2,-0.3 -0.982 42.1-119.0-149.9 148.0 17.4 18.6 28.5 17 808 A Q E + b 0 169A 91 -2,-0.3 2,-0.3 151,-0.2 153,-0.2 -0.706 60.6 111.7 -82.7 144.0 16.4 21.8 26.7 18 809 A G - 0 0 20 151,-2.1 2,-0.7 -2,-0.3 5,-0.1 -0.952 66.1 -81.5 167.9 177.0 19.4 23.4 25.0 19 810 A D > - 0 0 79 3,-0.4 3,-2.9 -2,-0.3 -2,-0.0 -0.888 24.5-153.7-110.8 105.9 21.3 24.4 21.9 20 811 A L T 3 S+ 0 0 6 -2,-0.7 3,-0.5 1,-0.3 -1,-0.1 0.709 93.0 66.8 -49.2 -27.4 23.4 21.7 20.3 21 812 A A T 3 S+ 0 0 13 1,-0.3 -1,-0.3 60,-0.1 2,-0.2 0.754 113.7 29.6 -65.5 -20.9 25.8 24.3 18.9 22 813 A R S < S+ 0 0 185 -3,-2.9 -3,-0.4 59,-0.1 -1,-0.3 -0.606 80.8 131.5-144.3 77.6 26.9 25.0 22.4 23 814 A L - 0 0 19 -3,-0.5 2,-2.2 -2,-0.2 103,-0.1 -0.992 60.3-118.6-128.2 144.7 26.7 22.2 25.0 24 815 A P S S+ 0 0 129 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.429 77.4 109.5 -77.7 67.9 29.4 21.1 27.4 25 816 A V S S- 0 0 16 -2,-2.2 -2,-0.1 57,-0.2 100,-0.1 -0.811 77.0-113.9-135.7 168.9 29.6 17.5 25.9 26 817 A D S S- 0 0 58 98,-0.4 58,-0.7 -2,-0.2 59,-0.4 0.887 90.6 -3.5 -77.4 -39.4 32.2 15.7 23.8 27 818 A V E -c 125 0A 0 97,-1.1 99,-1.2 56,-0.1 2,-0.3 -0.968 60.9-147.9-152.1 155.3 30.3 15.4 20.5 28 819 A V E -cd 126 86A 0 57,-0.6 59,-2.5 -2,-0.3 2,-0.5 -0.901 16.9-124.7-128.2 156.9 26.9 16.1 19.1 29 820 A V E - d 0 87A 0 97,-2.3 2,-0.3 -2,-0.3 59,-0.2 -0.900 20.2-150.7-105.1 128.5 24.7 14.5 16.4 30 821 A N E - d 0 88A 0 57,-3.4 59,-2.6 -2,-0.5 2,-1.1 -0.738 17.6-129.0 -93.7 145.2 23.4 16.5 13.4 31 822 A A E + d 0 89A 32 -2,-0.3 12,-0.4 57,-0.2 59,-0.2 -0.806 49.8 176.2 -92.0 91.6 20.1 15.7 11.7 32 823 A S E - d 0 90A 3 57,-2.5 59,-0.6 -2,-1.1 2,-0.2 -0.404 30.5-126.9 -98.5 165.3 21.6 15.7 8.2 33 824 A N > - 0 0 37 57,-0.1 3,-1.8 -2,-0.1 35,-0.1 -0.621 44.0 -92.3 -98.1 173.5 20.4 14.9 4.7 34 825 A E T 3 S+ 0 0 17 1,-0.3 34,-2.3 -2,-0.2 56,-0.1 0.599 124.5 53.3 -59.6 -24.9 22.2 12.4 2.4 35 826 A D T 3 S- 0 0 59 32,-0.2 -1,-0.3 2,-0.1 27,-0.2 0.433 102.7-126.5 -92.6 -1.3 24.4 15.1 0.8 36 827 A L < + 0 0 0 -3,-1.8 2,-0.8 1,-0.2 -2,-0.1 0.891 60.3 150.0 52.9 40.1 25.7 16.4 4.2 37 828 A K - 0 0 80 21,-0.1 2,-1.7 22,-0.0 -1,-0.2 -0.892 35.7-159.4-109.5 104.6 24.5 19.7 2.9 38 829 A H + 0 0 3 -2,-0.8 9,-0.1 1,-0.2 10,-0.1 -0.491 44.6 128.2 -93.7 73.8 23.6 21.7 5.9 39 830 A Y + 0 0 175 -2,-1.7 2,-0.3 8,-0.1 -1,-0.2 0.397 62.3 39.4-115.2 4.9 21.3 24.3 4.5 40 831 A G S > S- 0 0 40 -3,-0.2 4,-1.9 0, 0.0 3,-0.4 -0.937 98.3 -13.7-144.4 169.7 18.2 24.0 6.7 41 832 A G H > S- 0 0 58 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 0.060 120.4 -10.7 46.2-137.0 17.1 23.5 10.3 42 833 A L H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.929 134.5 60.5 -62.5 -41.7 19.5 22.3 12.9 43 834 A A H > S+ 0 0 7 -12,-0.4 4,-2.5 -3,-0.4 -1,-0.2 0.875 105.5 47.8 -52.0 -41.9 22.1 21.5 10.3 44 835 A A H X S+ 0 0 32 -4,-1.9 4,-2.1 -3,-0.3 -1,-0.2 0.848 110.7 49.8 -70.8 -41.8 22.1 25.2 9.2 45 836 A A H X S+ 0 0 51 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.984 113.8 46.3 -62.9 -52.1 22.5 26.5 12.7 46 837 A L H X S+ 0 0 2 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.917 114.5 47.7 -52.0 -49.4 25.4 24.1 13.4 47 838 A S H X S+ 0 0 17 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.843 108.7 53.5 -65.5 -35.8 27.1 24.9 10.2 48 839 A K H >< S+ 0 0 190 -4,-2.1 3,-1.0 -3,-0.2 -1,-0.2 0.964 112.6 43.1 -62.0 -53.4 26.7 28.7 10.6 49 840 A A H 3< S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.766 113.8 55.2 -62.8 -26.3 28.4 28.6 14.1 50 841 A A H 3< S- 0 0 0 -4,-1.6 30,-2.4 -5,-0.3 3,-0.3 0.662 102.1-134.7 -81.6 -23.5 31.0 26.2 12.7 51 842 A G X< - 0 0 13 -4,-1.0 3,-1.9 -3,-1.0 4,-0.4 0.062 45.1 -59.2 73.5 167.7 32.2 28.3 9.8 52 843 A P T 3> S+ 0 0 108 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.575 119.4 86.4 -67.0 -13.2 32.8 26.8 6.3 53 844 A E H 3> S+ 0 0 106 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.860 89.6 49.8 -41.7 -45.9 35.3 24.3 7.6 54 845 A L H <> S+ 0 0 1 -3,-1.9 4,-2.1 -7,-0.2 -1,-0.2 0.916 112.5 43.5 -72.6 -44.1 32.4 21.9 8.5 55 846 A Q H > S+ 0 0 13 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.919 115.2 51.3 -66.3 -40.8 30.6 22.1 5.1 56 847 A A H X S+ 0 0 44 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.935 109.7 47.0 -66.2 -42.7 34.0 21.8 3.3 57 848 A D H X S+ 0 0 28 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.941 113.9 51.4 -64.7 -37.1 35.1 18.7 5.3 58 849 A C H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.857 108.1 50.3 -61.8 -38.7 31.6 17.3 4.5 59 850 A D H X S+ 0 0 38 -4,-2.5 4,-3.8 2,-0.2 5,-0.2 0.968 111.4 48.4 -67.2 -48.4 31.9 18.0 0.7 60 851 A Q H < S+ 0 0 120 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.865 109.9 54.0 -56.6 -37.1 35.2 16.3 0.7 61 852 A I H X S+ 0 0 5 -4,-2.0 4,-3.3 -5,-0.2 5,-0.4 0.900 114.2 38.7 -67.0 -42.1 33.6 13.4 2.6 62 853 A V H X S+ 0 0 25 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.962 114.7 54.3 -69.9 -50.4 30.8 13.0 0.1 63 854 A K H < S+ 0 0 163 -4,-3.8 -1,-0.2 -5,-0.2 -2,-0.2 0.553 121.2 34.0 -57.7 -9.2 33.3 13.6 -2.8 64 855 A R H 4 S+ 0 0 157 -4,-0.4 -2,-0.2 -3,-0.3 -3,-0.2 0.765 132.6 23.4-103.8 -58.4 35.3 10.8 -1.3 65 856 A E H < S- 0 0 110 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.631 104.8-124.9 -85.1 -18.2 32.9 8.2 0.2 66 857 A G < - 0 0 31 -4,-2.9 -1,-0.2 -5,-0.4 -2,-0.1 -0.139 52.1 -26.1 87.3 168.0 29.8 9.1 -1.9 67 858 A R - 0 0 147 1,-0.1 2,-0.2 -2,-0.1 -32,-0.2 -0.173 69.4-119.1 -53.3 139.1 26.3 10.1 -0.9 68 859 A L - 0 0 6 -34,-2.3 -1,-0.1 -35,-0.1 -32,-0.1 -0.589 23.5-129.6 -76.9 145.8 25.2 8.8 2.5 69 860 A L > - 0 0 125 -2,-0.2 3,-1.9 1,-0.1 21,-0.3 -0.721 31.2 -92.7 -92.5 148.4 22.2 6.5 2.7 70 861 A P T 3 S+ 0 0 44 0, 0.0 21,-0.2 0, 0.0 3,-0.1 -0.272 116.1 34.8 -53.9 140.9 19.2 7.1 5.1 71 862 A G T 3 S+ 0 0 0 19,-3.0 41,-0.3 1,-0.3 2,-0.2 0.234 102.1 102.4 87.5 -10.3 19.9 5.2 8.3 72 863 A N < - 0 0 52 -3,-1.9 18,-2.7 18,-0.3 -1,-0.3 -0.505 50.9-163.6-104.0 166.5 23.6 5.8 8.1 73 864 A A E -E 89 0A 8 16,-0.2 2,-0.3 -2,-0.2 16,-0.2 -0.984 6.2-178.6-146.4 147.9 25.9 8.3 10.0 74 865 A T E -E 88 0A 14 14,-2.1 14,-3.3 -2,-0.3 2,-0.4 -0.852 22.1-120.6-137.9 177.1 29.3 9.6 9.4 75 866 A I E +E 87 0A 18 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.949 26.3 175.9-128.0 142.4 31.6 12.0 11.2 76 867 A S E -E 86 0A 2 10,-2.5 10,-1.9 -2,-0.4 -22,-0.1 -0.841 41.2 -77.5-130.4 174.0 33.2 15.3 10.1 77 868 A K E -E 85 0A 118 -2,-0.3 8,-0.2 8,-0.2 -19,-0.1 -0.337 34.1-143.5 -64.4 156.3 35.3 18.0 11.6 78 869 A A > - 0 0 1 6,-1.3 3,-1.9 1,-0.3 -24,-0.2 0.372 23.1-161.9-106.1 -7.6 33.4 20.5 13.8 79 870 A G T 3 S- 0 0 23 5,-0.3 -1,-0.3 1,-0.3 4,-0.2 -0.316 70.1 -6.9 60.9-130.0 35.2 23.6 12.8 80 871 A K T 3 S+ 0 0 153 -30,-2.4 -1,-0.3 2,-0.1 -30,-0.1 0.397 106.2 111.7 -79.9 -4.1 34.6 26.5 15.2 81 872 A L S < S- 0 0 9 -3,-1.9 2,-1.5 -31,-0.2 -3,-0.1 -0.398 87.9-103.8 -62.3 154.5 32.0 24.5 17.2 82 873 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -57,-0.2 -0.121 97.6 78.0 -75.0 44.8 33.1 23.5 20.8 83 874 A Y S S- 0 0 16 -2,-1.5 -5,-0.2 -4,-0.2 -56,-0.1 -0.899 76.1-135.1-140.4 161.9 33.7 19.9 19.6 84 875 A H S S+ 0 0 145 -58,-0.7 -6,-1.3 -2,-0.3 -5,-0.3 0.809 91.6 19.6 -79.4 -35.5 36.4 18.1 17.7 85 876 A H E - E 0 77A 44 -59,-0.4 -57,-0.6 -8,-0.2 2,-0.4 -0.881 57.0-149.3-135.4 156.1 33.6 16.3 15.6 86 877 A V E -dE 28 76A 0 -10,-1.9 -10,-2.5 -2,-0.3 2,-0.6 -0.997 20.4-144.0-121.8 128.3 30.0 16.4 14.5 87 878 A I E -dE 29 75A 0 -59,-2.5 -57,-3.4 -2,-0.4 2,-0.7 -0.856 15.5-152.4 -88.5 119.4 28.3 13.0 13.9 88 879 A H E -dE 30 74A 0 -14,-3.3 -14,-2.1 -2,-0.6 2,-0.4 -0.891 12.3-171.0 -99.8 114.8 26.0 13.5 10.9 89 880 A A E -dE 31 73A 0 -59,-2.6 -57,-2.5 -2,-0.7 2,-0.9 -0.899 14.6-145.9-107.3 136.3 23.0 11.1 11.1 90 881 A V E -d 32 0A 0 -18,-2.7 -19,-3.0 -2,-0.4 -18,-0.3 -0.851 18.0-162.6-104.4 99.7 20.7 10.8 8.1 91 882 A G - 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