==== 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 10-JAN-12 3VFQ . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KARLBERG,A.G.THORSELL,C.H.ARROWSMITH,C.BOUNTRA,A.M.EDWARDS . 375 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 6.9 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 . 1 0.3 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 . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 1 0 0 1 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 4 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 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 791 A K 0 0 110 0, 0.0 17,-2.9 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 112.3 -3.3 41.2 17.5 2 792 A C E -A 17 0A 62 15,-0.2 15,-0.2 1,-0.1 3,-0.1 -0.491 360.0-176.9 -84.2 159.5 0.2 40.0 17.5 3 793 A F E - 0 0 80 13,-2.5 2,-0.3 1,-0.5 14,-0.2 0.710 55.8 -2.6-124.4 -57.0 2.0 39.3 20.9 4 794 A S E -A 16 0A 33 12,-1.0 12,-0.9 2,-0.0 -1,-0.5 -0.930 49.1-152.4-135.5 163.5 5.6 38.2 20.7 5 795 A R E -A 15 0A 149 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.984 20.8-179.8-137.0 131.6 8.1 37.4 18.0 6 796 A T E -A 14 0A 33 8,-1.9 8,-3.1 -2,-0.4 2,-0.4 -0.988 22.9-132.6-137.0 137.3 10.9 35.0 18.6 7 797 A V E +A 13 0A 104 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.771 21.0 173.8 -89.6 134.1 13.8 33.6 16.6 8 798 A L E S- 0 0 38 4,-2.1 -1,-0.2 1,-0.5 5,-0.2 0.793 71.5 -21.7 -92.7 -44.5 14.4 29.9 16.7 9 799 A A E > S-A 12 0A 21 3,-1.1 3,-2.5 156,-0.1 -1,-0.5 -0.931 96.2 -52.1-162.7 163.6 17.1 29.8 14.1 10 800 A P T 3 S+ 0 0 129 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.333 129.1 6.7 -55.3 124.2 18.4 31.9 11.2 11 801 A G T 3 S+ 0 0 58 1,-0.2 2,-0.4 -2,-0.0 -4,-0.0 0.250 109.5 102.6 91.5 -11.9 15.3 32.5 9.0 12 802 A V E < +A 9 0A 12 -3,-2.5 -4,-2.1 154,-0.1 -3,-1.1 -0.917 43.5 177.0-120.8 133.8 12.8 31.0 11.4 13 803 A V E -Ab 7 166A 32 152,-2.7 154,-2.0 -2,-0.4 2,-0.5 -0.995 20.0-145.4-143.1 132.2 10.5 33.0 13.7 14 804 A L E -Ab 6 167A 1 -8,-3.1 -8,-1.9 -2,-0.4 2,-0.5 -0.880 19.0-166.6-106.4 128.5 7.8 31.9 16.1 15 805 A I E -Ab 5 168A 0 152,-3.3 154,-2.8 -2,-0.5 2,-0.5 -0.950 12.7-159.1-129.4 114.7 4.8 34.2 16.4 16 806 A V E +Ab 4 169A 0 -12,-0.9 -13,-2.5 -2,-0.5 -12,-1.0 -0.814 32.2 159.1 -88.7 124.5 2.1 34.2 19.0 17 807 A Q E -Ab 2 170A 35 152,-2.0 154,-0.6 -2,-0.5 2,-0.4 -0.927 42.6-117.5-138.5 162.2 -1.0 36.0 17.7 18 808 A Q E + b 0 171A 57 -17,-2.9 2,-0.3 -2,-0.3 154,-0.2 -0.848 59.7 109.6 -97.0 144.8 -4.7 36.3 18.2 19 809 A G - 0 0 19 152,-1.9 2,-0.5 -2,-0.4 154,-0.1 -0.981 65.5 -81.5 167.6-179.6 -6.8 35.3 15.3 20 810 A D > - 0 0 75 3,-0.4 3,-1.8 -2,-0.3 -2,-0.0 -0.957 25.6-145.3-120.3 112.0 -9.1 33.0 13.5 21 811 A L T 3 S+ 0 0 4 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.724 97.8 67.1 -50.7 -26.3 -7.6 29.8 11.9 22 812 A A T 3 S+ 0 0 13 1,-0.2 2,-0.4 60,-0.1 -1,-0.3 0.867 109.8 30.7 -60.7 -40.3 -10.2 30.2 9.2 23 813 A R S < S+ 0 0 202 -3,-1.8 -3,-0.4 59,-0.1 -1,-0.2 -0.793 84.9 132.9-128.6 86.4 -8.7 33.5 7.8 24 814 A L - 0 0 20 -2,-0.4 2,-2.2 -3,-0.4 103,-0.1 -0.998 59.3-116.7-142.2 145.1 -4.9 33.7 8.2 25 815 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.432 76.9 100.4 -84.1 68.6 -1.9 34.6 6.1 26 816 A V S S- 0 0 13 -2,-2.2 -2,-0.1 57,-0.2 100,-0.1 -0.926 76.4-117.9-138.8 167.0 -0.1 31.3 6.1 27 817 A D S S+ 0 0 61 98,-0.3 58,-0.5 -2,-0.3 2,-0.3 0.964 93.0 9.5 -68.5 -52.4 0.2 28.4 3.8 28 818 A V E -c 126 0A 0 97,-1.6 99,-1.8 56,-0.1 2,-0.3 -0.966 61.7-151.9-138.2 145.5 -1.3 25.7 6.0 29 819 A V E -cd 127 87A 0 57,-0.6 59,-2.3 -2,-0.3 2,-0.5 -0.824 20.0-125.1-113.9 155.0 -3.2 25.6 9.3 30 820 A V E - d 0 88A 1 97,-2.1 2,-0.4 -2,-0.3 59,-0.2 -0.875 21.4-147.8-107.2 130.4 -3.4 22.7 11.8 31 821 A N E - d 0 89A 2 57,-3.6 59,-2.6 -2,-0.5 2,-1.2 -0.780 14.3-131.4-101.4 136.4 -6.8 21.3 12.8 32 822 A A E + d 0 90A 38 -2,-0.4 12,-0.4 57,-0.2 59,-0.2 -0.745 50.4 167.9 -82.2 97.8 -7.6 19.9 16.2 33 823 A S E - d 0 91A 3 57,-2.1 59,-0.6 -2,-1.2 2,-0.2 -0.470 30.1-128.1-109.2 177.6 -9.2 16.7 15.0 34 824 A N > - 0 0 9 4,-0.4 3,-1.9 -2,-0.2 35,-0.2 -0.685 42.5 -83.5-121.3-179.9 -10.4 13.4 16.3 35 825 A E T 3 S+ 0 0 18 1,-0.3 34,-2.6 -2,-0.2 56,-0.1 0.644 126.1 42.7 -64.5 -17.5 -9.8 9.7 15.3 36 826 A D T 3 S- 0 0 44 32,-0.2 -1,-0.3 2,-0.1 27,-0.2 0.469 109.4-114.5-107.6 -6.0 -12.4 9.7 12.6 37 827 A L < + 0 0 0 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.843 64.7 153.7 76.0 33.3 -11.7 13.1 11.1 38 828 A K - 0 0 80 21,-0.1 2,-0.5 22,-0.0 -4,-0.4 -0.807 33.0-162.4-103.4 138.7 -15.0 14.2 12.3 39 829 A H + 0 0 12 -2,-0.4 9,-0.1 1,-0.2 3,-0.1 -0.659 38.3 132.9-125.9 74.2 -15.5 17.8 12.9 40 830 A Y + 0 0 167 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.579 68.1 16.9-109.4 -11.5 -18.5 18.2 15.0 41 831 A G S S+ 0 0 37 -3,-0.2 3,-0.3 0, 0.0 4,-0.2 -0.938 99.2 24.3-149.1 169.6 -17.5 20.6 17.7 42 832 A G S > S- 0 0 57 -2,-0.3 4,-1.1 1,-0.2 3,-0.2 -0.386 111.5 -34.4 80.2-150.7 -14.8 23.1 18.4 43 833 A L H > S+ 0 0 52 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.890 130.3 67.6 -78.7 -41.3 -12.7 24.9 16.0 44 834 A A H > S+ 0 0 4 -12,-0.4 4,-1.0 1,-0.3 -1,-0.2 0.674 101.7 50.7 -50.0 -18.5 -12.6 22.0 13.6 45 835 A A H > S+ 0 0 28 -3,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.877 106.3 52.3 -88.4 -44.3 -16.2 22.8 13.2 46 836 A A H X S+ 0 0 45 -4,-1.1 4,-1.7 1,-0.2 -2,-0.2 0.935 113.5 46.3 -46.8 -52.0 -15.4 26.5 12.6 47 837 A L H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.836 110.8 51.0 -62.2 -37.8 -13.1 25.2 9.9 48 838 A S H X S+ 0 0 21 -4,-1.0 4,-2.2 -5,-0.3 7,-0.3 0.957 109.0 51.9 -68.6 -46.9 -15.5 22.8 8.4 49 839 A K H >< S+ 0 0 184 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.957 112.7 42.2 -48.6 -72.8 -18.2 25.4 8.1 50 840 A A H 3< S+ 0 0 51 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.842 116.4 50.2 -43.7 -46.9 -16.1 27.9 6.3 51 841 A A H 3< S- 0 0 2 -4,-2.1 30,-2.4 -5,-0.2 3,-0.4 0.808 103.1-142.1 -65.6 -29.2 -14.6 25.2 4.0 52 842 A G XX - 0 0 14 -4,-2.2 3,-1.0 -3,-1.7 4,-0.7 -0.473 47.1 -45.0 86.4-170.7 -18.0 23.7 3.1 53 843 A P H 3> S+ 0 0 107 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.487 124.2 78.8 -80.0 -0.4 -18.6 20.0 2.7 54 844 A E H 3> S+ 0 0 103 -3,-0.4 4,-1.7 2,-0.2 5,-0.2 0.898 89.7 54.8 -73.1 -39.3 -15.5 19.6 0.7 55 845 A L H <> S+ 0 0 0 -3,-1.0 4,-1.4 -7,-0.3 3,-0.3 0.963 113.5 39.0 -60.3 -54.4 -13.5 19.6 3.8 56 846 A Q H X S+ 0 0 35 -4,-0.7 4,-2.5 1,-0.2 5,-0.2 0.940 110.1 63.0 -60.3 -46.4 -15.5 16.8 5.5 57 847 A A H X S+ 0 0 41 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.824 103.9 43.8 -46.6 -47.1 -15.8 14.9 2.3 58 848 A D H X S+ 0 0 20 -4,-1.7 4,-2.7 -3,-0.3 -1,-0.2 0.938 113.0 53.9 -68.1 -45.7 -12.1 14.2 1.7 59 849 A C H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.908 106.1 52.4 -49.0 -50.8 -11.6 13.4 5.4 60 850 A D H X S+ 0 0 47 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.889 112.9 44.2 -58.2 -40.0 -14.4 10.8 5.1 61 851 A Q H X S+ 0 0 117 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.805 110.5 54.6 -76.5 -29.6 -12.6 9.3 2.1 62 852 A I H X>S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.2 5,-0.6 0.895 108.7 49.8 -66.2 -40.1 -9.3 9.4 3.8 63 853 A V H <5S+ 0 0 27 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.756 111.5 48.7 -71.8 -24.5 -10.8 7.5 6.8 64 854 A K H <5S+ 0 0 157 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.759 118.6 37.7 -87.6 -24.8 -12.3 4.9 4.4 65 855 A R H <5S+ 0 0 170 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.801 134.4 21.2 -94.2 -36.8 -9.0 4.3 2.5 66 856 A E T <5S- 0 0 111 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.643 105.1-132.2-101.6 -20.8 -6.5 4.6 5.4 67 857 A G < - 0 0 28 -5,-0.6 -3,-0.1 -4,-0.4 -2,-0.1 -0.020 44.6 -29.2 87.4 165.3 -8.8 3.9 8.4 68 858 A R - 0 0 129 -5,-0.1 2,-0.2 1,-0.1 -32,-0.2 -0.092 62.4-131.9 -49.9 144.6 -9.3 5.6 11.7 69 859 A L - 0 0 2 -34,-2.6 -1,-0.1 -35,-0.2 -32,-0.1 -0.625 16.1-137.1 -90.0 165.4 -6.3 7.5 13.2 70 860 A L - 0 0 59 -2,-0.2 21,-0.2 1,-0.1 3,-0.2 -0.802 37.4 -72.5-117.5 161.9 -5.2 7.1 16.7 71 861 A P S S+ 0 0 37 0, 0.0 21,-0.2 0, 0.0 -1,-0.1 -0.177 118.2 40.8 -50.3 138.3 -4.1 9.6 19.2 72 862 A G S S+ 0 0 0 19,-2.4 2,-0.3 1,-0.3 20,-0.2 0.741 97.2 119.4 90.4 30.3 -0.6 11.0 18.4 73 863 A N E -E 91 0A 4 18,-1.3 18,-2.2 -3,-0.2 -1,-0.3 -0.766 42.0-169.2-131.2 162.6 -1.4 11.1 14.8 74 864 A A E +E 90 0A 15 211,-0.3 2,-0.2 -2,-0.3 16,-0.2 -0.929 7.2 170.9-158.0 134.4 -1.6 13.5 11.9 75 865 A T E -E 89 0A 15 14,-2.4 14,-3.8 -2,-0.3 2,-0.4 -0.813 24.7-123.3-132.7-179.6 -2.8 13.5 8.3 76 866 A I E +E 88 0A 22 -2,-0.2 12,-0.2 12,-0.2 2,-0.2 -0.989 27.7 172.3-136.1 128.5 -3.4 16.0 5.6 77 867 A S E -E 87 0A 3 10,-2.6 10,-2.3 -2,-0.4 -22,-0.1 -0.747 39.7 -75.7-128.8 171.3 -6.6 16.8 3.5 78 868 A K E -E 86 0A 108 8,-0.2 8,-0.2 -2,-0.2 -19,-0.1 -0.324 35.0-144.6 -59.0 153.5 -8.2 19.2 1.0 79 869 A A > - 0 0 2 6,-1.5 3,-1.1 1,-0.2 -24,-0.2 0.538 19.7-161.7-102.5 -10.9 -9.2 22.6 2.4 80 870 A G T 3 S- 0 0 19 5,-0.3 -1,-0.2 1,-0.2 4,-0.2 -0.352 71.5 -4.2 57.1-136.5 -12.4 23.4 0.4 81 871 A K T 3 S+ 0 0 176 -30,-2.4 -1,-0.2 -31,-0.1 -30,-0.1 0.339 106.1 114.0 -75.4 10.8 -13.3 27.1 0.4 82 872 A L S < S- 0 0 12 -3,-1.1 2,-1.4 2,-0.1 -3,-0.1 -0.458 83.3-108.0 -80.5 154.0 -10.5 28.0 2.8 83 873 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 -57,-0.2 -0.051 98.6 73.4 -71.3 37.3 -7.6 30.3 1.8 84 874 A Y S S- 0 0 11 -2,-1.4 -5,-0.2 -4,-0.2 -56,-0.1 -0.916 75.7-136.9-140.1 164.4 -5.3 27.3 1.8 85 875 A H S S+ 0 0 146 -58,-0.5 -6,-1.5 -2,-0.3 -5,-0.3 0.828 87.9 20.1 -87.5 -33.6 -4.9 24.2 -0.4 86 876 A H E - E 0 78A 52 -59,-0.3 -57,-0.6 -8,-0.2 2,-0.4 -0.881 59.6-147.7-134.1 154.6 -4.6 21.8 2.5 87 877 A V E -dE 29 77A 0 -10,-2.3 -10,-2.6 -2,-0.3 2,-0.5 -0.983 17.2-140.8-119.3 140.5 -5.4 21.3 6.2 88 878 A I E -dE 30 76A 0 -59,-2.3 -57,-3.6 -2,-0.4 2,-0.6 -0.888 16.5-152.6 -98.3 130.6 -3.2 19.3 8.5 89 879 A H E -dE 31 75A 0 -14,-3.8 -14,-2.4 -2,-0.5 2,-0.5 -0.939 9.6-168.9-111.7 117.5 -5.3 17.3 10.9 90 880 A A E -dE 32 74A 0 -59,-2.6 -57,-2.1 -2,-0.6 2,-1.1 -0.935 10.4-153.3-114.2 118.6 -3.7 16.5 14.2 91 881 A V E -dE 33 73A 0 -18,-2.2 -19,-2.4 -2,-0.5 -18,-1.3 -0.768 20.4-168.1 -97.4 95.4 -5.4 14.0 16.4 92 882 A G - 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