==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-MAY-05 2CS2 . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.NAGASHIMA,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 46.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 15 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A G 0 0 132 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.7 3.8 -2.0 21.8 2 2 A S - 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.993 360.0 -98.8-138.3 129.6 5.1 -2.2 18.2 3 3 A S - 0 0 133 -2,-0.4 2,-0.1 1,-0.1 3,-0.0 -0.176 46.6-144.1 -45.8 119.0 8.5 -1.3 16.8 4 4 A G - 0 0 65 1,-0.1 2,-0.5 0, 0.0 -1,-0.1 -0.345 23.6 -87.2 -85.6 169.4 8.2 2.2 15.4 5 5 A S - 0 0 129 -2,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.661 45.3-120.2 -80.9 121.2 9.9 3.6 12.3 6 6 A S - 0 0 119 -2,-0.5 2,-1.2 1,-0.1 -1,-0.1 -0.312 19.1-128.9 -60.4 137.6 13.3 5.0 13.1 7 7 A G S S+ 0 0 87 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.690 74.8 88.9 -93.4 87.2 13.7 8.7 12.4 8 8 A G + 0 0 74 -2,-1.2 2,-0.3 2,-0.0 -1,-0.1 -0.235 43.9 165.7-179.2 79.9 16.8 9.0 10.2 9 9 A S - 0 0 90 2,-0.1 2,-0.6 0, 0.0 -2,-0.0 -0.714 28.0-140.4-103.5 154.5 16.7 8.7 6.5 10 10 A K + 0 0 172 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.845 47.1 127.7-117.8 94.6 19.4 9.6 4.0 11 11 A A + 0 0 46 -2,-0.6 -2,-0.1 1,-0.1 5,-0.0 -0.998 23.7 167.0-147.9 145.5 18.0 11.2 0.8 12 12 A E S S+ 0 0 138 -2,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.623 89.8 21.6-124.6 -38.8 18.6 14.4 -1.2 13 13 A K S S+ 0 0 181 2,-0.1 2,-0.3 0, 0.0 -2,-0.0 -0.189 100.4 106.1-126.8 40.0 16.7 13.9 -4.5 14 14 A T - 0 0 63 73,-0.0 2,-0.5 72,-0.0 72,-0.1 -0.923 69.1-117.3-122.9 147.5 14.2 11.2 -3.4 15 15 A L E -a 86 0A 32 70,-1.6 72,-1.0 -2,-0.3 -2,-0.1 -0.706 21.8-170.5 -85.3 124.1 10.5 11.4 -2.8 16 16 A G E S+ 0 0 29 -2,-0.5 -1,-0.2 1,-0.2 71,-0.1 0.979 82.0 57.3 -76.1 -60.9 9.5 10.6 0.7 17 17 A D E S+ 0 0 43 29,-0.1 30,-1.3 1,-0.1 2,-0.6 0.821 108.1 58.7 -38.3 -39.3 5.7 10.4 0.5 18 18 A F E S+ B 0 46A 6 28,-0.2 69,-1.6 67,-0.2 2,-0.3 -0.865 70.7 162.2-101.5 120.6 6.3 7.8 -2.2 19 19 A A E -aB 87 45A 8 26,-1.7 26,-2.6 -2,-0.6 2,-0.4 -0.997 16.8-167.0-139.4 142.9 8.3 4.7 -1.1 20 20 A A E + B 0 44A 0 67,-2.1 2,-0.3 -2,-0.3 24,-0.3 -0.991 22.1 135.6-132.8 138.3 8.8 1.2 -2.6 21 21 A E E - B 0 43A 88 22,-2.8 22,-1.7 -2,-0.4 2,-0.1 -0.979 55.4 -67.6-169.0 166.0 10.3 -1.9 -1.1 22 22 A Y E - B 0 42A 96 -2,-0.3 2,-1.4 20,-0.2 20,-0.2 -0.386 57.3-103.6 -65.6 137.7 9.8 -5.7 -0.6 23 23 A A - 0 0 0 18,-1.2 17,-2.3 15,-0.2 18,-0.2 -0.456 33.2-165.2 -65.4 92.3 6.9 -6.7 1.5 24 24 A K S S+ 0 0 156 -2,-1.4 2,-0.3 15,-0.2 -1,-0.2 0.892 72.8 6.3 -44.6 -48.5 8.8 -7.6 4.7 25 25 A S S S- 0 0 40 -3,-0.1 2,-0.4 14,-0.1 3,-0.4 -0.912 71.3-118.7-136.4 162.7 5.6 -9.4 6.0 26 26 A N S S+ 0 0 101 -2,-0.3 12,-0.1 1,-0.2 13,-0.1 -0.255 84.6 100.8 -95.3 45.7 2.2 -10.3 4.7 27 27 A R + 0 0 204 -2,-0.4 -1,-0.2 9,-0.1 11,-0.1 0.894 61.4 74.0 -92.7 -53.6 0.4 -8.2 7.3 28 28 A S - 0 0 31 -3,-0.4 9,-1.6 9,-0.1 2,-0.4 -0.135 68.1-151.8 -59.4 158.3 -0.6 -5.1 5.4 29 29 A T B -D 36 0B 59 7,-0.2 33,-0.3 33,-0.1 7,-0.2 -0.994 14.6-117.5-140.5 131.5 -3.4 -5.2 2.9 30 30 A C - 0 0 1 5,-1.7 33,-0.2 -2,-0.4 5,-0.1 -0.237 12.6-158.1 -62.9 152.4 -4.0 -3.2 -0.3 31 31 A K S S+ 0 0 116 31,-0.5 -1,-0.1 3,-0.2 32,-0.1 0.619 85.9 65.0-105.3 -20.6 -7.1 -1.0 -0.4 32 32 A G S S+ 0 0 45 1,-0.2 -1,-0.1 3,-0.1 31,-0.1 0.818 126.2 11.8 -72.3 -31.0 -7.4 -0.7 -4.2 33 33 A C S S- 0 0 46 2,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.440 95.8-129.8-122.1 -9.4 -8.0 -4.5 -4.6 34 34 A M + 0 0 161 1,-0.2 2,-0.4 -5,-0.0 -3,-0.2 0.916 63.1 132.6 57.8 45.7 -8.7 -5.3 -0.9 35 35 A E - 0 0 96 -5,-0.1 -5,-1.7 1,-0.0 -1,-0.2 -0.990 61.7-104.4-131.8 137.7 -6.3 -8.2 -1.1 36 36 A K B -D 29 0B 120 -2,-0.4 2,-0.8 -7,-0.2 -7,-0.2 -0.103 34.2-118.8 -53.5 153.9 -3.5 -9.2 1.3 37 37 A I - 0 0 0 -9,-1.6 -9,-0.1 -12,-0.1 -1,-0.1 -0.846 25.4-133.5-103.7 102.2 0.1 -8.5 0.2 38 38 A E > - 0 0 126 -2,-0.8 3,-0.8 1,-0.1 -15,-0.2 -0.202 32.9 -99.1 -52.6 137.5 2.2 -11.7 -0.1 39 39 A K T 3 S+ 0 0 138 1,-0.2 2,-0.6 -15,-0.1 -15,-0.2 -0.245 105.7 21.9 -59.3 145.8 5.6 -11.4 1.6 40 40 A G T 3 S+ 0 0 32 -17,-2.3 -1,-0.2 1,-0.3 -16,-0.1 -0.213 89.7 121.5 90.8 -45.1 8.5 -10.6 -0.8 41 41 A Q S < S- 0 0 126 -3,-0.8 -18,-1.2 -2,-0.6 -1,-0.3 -0.307 75.2-103.2 -56.0 126.9 6.3 -9.2 -3.5 42 42 A V E +B 22 0A 21 -20,-0.2 2,-0.3 -3,-0.1 -20,-0.2 -0.130 48.1 179.5 -51.3 146.0 7.3 -5.6 -4.2 43 43 A R E -B 21 0A 27 -22,-1.7 -22,-2.8 21,-0.2 2,-0.3 -0.982 16.0-150.3-149.9 158.2 5.1 -2.9 -2.7 44 44 A L E -BC 20 63A 1 19,-1.4 19,-2.1 -2,-0.3 2,-0.3 -0.876 6.2-152.6-129.5 162.3 4.8 0.9 -2.5 45 45 A S E -BC 19 62A 9 -26,-2.6 -26,-1.7 -2,-0.3 2,-0.4 -0.951 1.1-157.1-135.4 154.6 3.4 3.4 0.0 46 46 A K E -BC 18 61A 14 15,-0.7 15,-1.1 -2,-0.3 2,-0.5 -0.966 21.4-128.1-137.4 119.4 1.9 6.9 -0.2 47 47 A K E + C 0 60A 92 -30,-1.3 2,-0.3 -2,-0.4 13,-0.2 -0.506 55.0 128.1 -67.5 116.6 1.8 9.4 2.7 48 48 A M E - C 0 59A 52 11,-2.0 11,-2.0 -2,-0.5 2,-0.5 -0.981 57.3-100.2-162.5 165.6 -1.8 10.7 3.0 49 49 A V E - C 0 58A 70 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.824 35.3-122.5 -99.5 131.3 -4.7 11.2 5.5 50 50 A D - 0 0 25 7,-0.7 7,-0.2 -2,-0.5 6,-0.1 -0.548 10.8-153.6 -73.8 126.7 -7.5 8.6 5.6 51 51 A P S S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.773 97.6 49.5 -69.7 -27.1 -10.9 10.3 5.0 52 52 A E S S+ 0 0 169 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.715 120.9 35.4 -84.0 -22.9 -12.7 7.5 7.0 53 53 A K >> + 0 0 99 1,-0.1 4,-0.9 -3,-0.1 3,-0.7 -0.637 61.3 159.7-133.5 76.0 -10.3 7.9 9.9 54 54 A P T 34 + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.655 68.9 75.3 -69.7 -15.8 -9.3 11.6 10.3 55 55 A Q T 34 S+ 0 0 152 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.895 94.8 48.5 -63.6 -41.3 -8.2 10.8 13.9 56 56 A L T <4 S+ 0 0 98 -3,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.936 87.7 178.9 -65.1 -48.0 -5.1 9.1 12.7 57 57 A G < + 0 0 17 -4,-0.9 2,-0.8 -7,-0.2 -7,-0.7 -0.672 55.2 34.6 85.2-131.6 -4.1 11.9 10.4 58 58 A M E S+C 49 0A 119 -2,-0.4 2,-0.2 -9,-0.2 -9,-0.2 -0.468 81.8 160.2 -64.3 103.2 -0.8 11.5 8.4 59 59 A I E -C 48 0A 28 -11,-2.0 -11,-2.0 -2,-0.8 2,-0.5 -0.670 38.0-124.1-120.0 175.6 -0.7 7.8 7.8 60 60 A D E -C 47 0A 90 -2,-0.2 -13,-0.2 -13,-0.2 2,-0.1 -0.955 25.6-171.5-128.3 113.8 1.1 5.5 5.3 61 61 A R E -C 46 0A 61 -15,-1.1 -15,-0.7 -2,-0.5 2,-0.4 -0.414 12.1-137.0 -95.5 173.9 -0.9 3.1 3.1 62 62 A W E +C 45 0A 52 -33,-0.3 -31,-0.5 -17,-0.2 2,-0.3 -0.994 19.0 176.0-136.5 141.3 0.3 0.3 0.9 63 63 A Y E -C 44 0A 20 -19,-2.1 -19,-1.4 -2,-0.4 5,-0.1 -0.987 35.6-103.9-147.7 133.9 -0.6 -0.8 -2.7 64 64 A H >> - 0 0 24 -2,-0.3 4,-2.4 -21,-0.2 3,-1.2 -0.137 38.4-108.9 -53.3 147.7 0.7 -3.5 -5.0 65 65 A P H 3> S+ 0 0 27 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.818 121.9 52.5 -48.0 -35.5 2.9 -2.3 -7.9 66 66 A G H 3> S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.819 110.2 46.6 -72.9 -31.3 0.1 -3.1 -10.3 67 67 A C H <> S+ 0 0 18 -3,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.826 104.0 61.8 -78.8 -33.7 -2.5 -1.1 -8.2 68 68 A F H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.869 107.8 44.9 -59.9 -37.7 -0.1 1.9 -7.9 69 69 A V H >< S+ 0 0 33 -4,-1.1 3,-2.0 -5,-0.2 4,-0.3 0.970 114.2 45.5 -70.9 -56.2 -0.1 2.3 -11.7 70 70 A K H 3< S+ 0 0 186 -4,-1.5 3,-0.5 1,-0.3 4,-0.3 0.905 123.4 37.4 -53.9 -45.1 -3.9 1.9 -12.3 71 71 A N T 3X S+ 0 0 42 -4,-2.8 4,-1.9 1,-0.2 -1,-0.3 -0.090 82.5 116.5 -99.1 33.6 -4.6 4.2 -9.4 72 72 A R T <4>S+ 0 0 52 -3,-2.0 5,-3.0 2,-0.2 4,-0.5 0.800 83.7 37.5 -70.2 -29.2 -1.7 6.5 -10.2 73 73 A E T 45S+ 0 0 164 -3,-0.5 3,-0.2 -4,-0.3 -1,-0.1 0.907 115.3 50.3 -87.1 -50.3 -4.1 9.4 -10.9 74 74 A E T 45S+ 0 0 165 -4,-0.3 -2,-0.2 1,-0.3 -3,-0.1 0.908 111.8 49.6 -54.7 -45.3 -6.7 8.7 -8.2 75 75 A L T <5S- 0 0 29 -4,-1.9 -1,-0.3 -7,-0.2 -2,-0.2 0.829 123.4-107.2 -64.2 -32.2 -4.0 8.5 -5.6 76 76 A G T 5 + 0 0 37 -4,-0.5 2,-0.8 -3,-0.2 -3,-0.2 0.790 58.6 160.8 106.2 42.5 -2.5 11.8 -6.9 77 77 A F < - 0 0 8 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.847 24.6-153.6-100.4 107.9 0.7 10.7 -8.7 78 78 A R > - 0 0 159 -2,-0.8 3,-1.3 1,-0.1 28,-0.0 -0.337 24.3-118.2 -76.3 159.1 1.9 13.4 -11.1 79 79 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.686 106.9 77.6 -69.8 -18.5 4.0 12.6 -14.2 80 80 A E T 3 S+ 0 0 107 26,-0.1 2,-0.5 2,-0.0 27,-0.1 0.689 89.1 68.0 -64.9 -17.4 6.8 14.7 -12.8 81 81 A Y < - 0 0 58 -3,-1.3 2,-0.1 25,-0.1 25,-0.1 -0.910 68.2-174.9-109.9 129.2 7.5 11.8 -10.5 82 82 A S > - 0 0 36 -2,-0.5 3,-0.7 23,-0.1 19,-0.1 -0.431 41.1 -98.0-109.2-175.0 8.9 8.5 -11.9 83 83 A A G > S+ 0 0 0 21,-0.7 3,-2.4 1,-0.2 6,-0.2 0.869 118.9 63.4 -72.6 -38.1 9.7 5.1 -10.4 84 84 A S G 3 S+ 0 0 82 1,-0.3 6,-0.2 5,-0.1 -1,-0.2 0.593 96.8 62.3 -62.9 -8.5 13.4 5.8 -10.0 85 85 A Q G < S+ 0 0 66 -3,-0.7 -70,-1.6 -71,-0.1 2,-0.7 0.223 77.6 111.6-100.7 12.2 12.2 8.5 -7.6 86 86 A L E X S-a 15 0A 3 -3,-2.4 3,-2.9 -72,-0.1 4,-0.4 -0.793 81.5-110.2 -92.6 115.7 10.7 5.9 -5.2 87 87 A K E 3 S+a 19 0A 74 -69,-1.6 -67,-2.1 -72,-1.0 -2,-0.1 -0.176 107.3 19.4 -44.6 110.5 12.5 5.7 -1.9 88 88 A G T >> S+ 0 0 17 -69,-0.2 4,-2.4 -4,-0.1 3,-1.2 -0.135 89.2 108.4 118.1 -37.5 14.2 2.3 -2.2 89 89 A F T <4 S+ 0 0 11 -3,-2.9 3,-0.2 1,-0.3 8,-0.1 0.881 81.3 51.8 -35.8 -59.4 14.0 1.7 -5.9 90 90 A S T 34 S+ 0 0 99 -4,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.878 110.7 49.3 -48.1 -43.1 17.8 2.2 -6.2 91 91 A L T <4 S+ 0 0 156 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.908 95.9 89.9 -64.6 -43.2 18.2 -0.4 -3.4 92 92 A L S < S- 0 0 8 -4,-2.4 2,-0.3 -72,-0.2 -4,-0.1 0.095 93.8 -86.6 -47.5 167.7 15.9 -2.8 -5.2 93 93 A A > - 0 0 46 1,-0.1 4,-3.1 4,-0.0 3,-0.5 -0.614 31.5-118.4 -84.6 140.8 17.4 -5.3 -7.7 94 94 A T H > S+ 0 0 94 -2,-0.3 4,-2.4 1,-0.2 5,-0.4 0.892 114.4 56.8 -39.5 -55.6 17.9 -4.3 -11.3 95 95 A E H > S+ 0 0 171 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.917 113.6 38.7 -43.5 -56.6 15.5 -7.0 -12.5 96 96 A D H > S+ 0 0 56 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.913 111.4 60.9 -62.9 -44.3 12.7 -5.7 -10.2 97 97 A K H >X S+ 0 0 38 -4,-3.1 3,-2.1 1,-0.3 4,-2.0 0.950 103.6 47.3 -46.7 -64.2 13.7 -2.1 -11.0 98 98 A E H 3X S+ 0 0 114 -4,-2.4 4,-2.9 1,-0.3 -1,-0.3 0.838 104.1 64.9 -48.1 -36.4 13.0 -2.4 -14.7 99 99 A A H 3< S+ 0 0 43 -4,-1.2 4,-0.4 -5,-0.4 -1,-0.3 0.850 107.4 40.5 -56.7 -35.7 9.7 -4.0 -13.8 100 100 A L H