==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-SEP-07 2RCW . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.H.PARK . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 13.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 3 1 0 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 3 3 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 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 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 K 0 0 189 0, 0.0 125,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.1 -4.4 87.8 2.8 2 2 A S - 0 0 21 1,-0.1 4,-0.1 4,-0.0 7,-0.0 -0.072 360.0-169.6 -49.9 143.8 -7.3 85.6 3.6 3 3 A K + 0 0 175 2,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.552 56.5 104.8-108.5 -18.6 -9.9 84.8 0.8 4 4 A L S S- 0 0 27 1,-0.1 2,-0.1 2,-0.1 137,-0.1 -0.210 84.8 -91.3 -61.8 154.6 -12.4 83.2 3.2 5 5 A P >> - 0 0 61 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.419 33.4-114.9 -70.7 144.2 -15.5 85.2 4.1 6 6 A K H 3> S+ 0 0 151 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.882 114.6 55.7 -43.4 -52.0 -15.3 87.3 7.3 7 7 A P H 3> S+ 0 0 33 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.883 110.4 45.4 -51.9 -42.1 -18.0 85.2 9.1 8 8 A V H <> S+ 0 0 1 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.903 109.3 55.1 -68.7 -41.9 -16.0 82.1 8.5 9 9 A Q H X S+ 0 0 33 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.879 106.1 52.3 -58.6 -39.4 -12.7 83.8 9.6 10 10 A D H >X S+ 0 0 48 -4,-2.3 4,-1.3 1,-0.2 3,-0.9 0.886 106.0 54.0 -64.3 -39.2 -14.3 84.8 12.9 11 11 A L H 3X S+ 0 0 1 -4,-1.4 4,-1.8 1,-0.3 3,-0.4 0.909 105.2 53.9 -60.5 -42.6 -15.4 81.2 13.5 12 12 A I H 3< S+ 0 0 1 -4,-2.0 4,-0.3 1,-0.2 -1,-0.3 0.653 105.6 56.4 -66.8 -16.0 -11.8 80.1 13.0 13 13 A K H << S+ 0 0 114 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.807 108.2 42.3 -87.6 -31.7 -10.8 82.6 15.7 14 14 A M H >< S+ 0 0 30 -4,-1.3 3,-1.2 -3,-0.4 -2,-0.2 0.843 110.4 54.3 -84.2 -35.1 -13.0 81.4 18.5 15 15 A I T 3< S+ 0 0 6 -4,-1.8 194,-0.2 1,-0.3 -1,-0.2 0.703 116.6 40.4 -71.4 -18.4 -12.4 77.6 18.0 16 16 A F T 3 S+ 0 0 14 -4,-0.3 2,-0.5 -5,-0.2 -1,-0.3 0.022 84.1 132.5-116.6 25.0 -8.6 78.3 18.2 17 17 A D <> - 0 0 60 -3,-1.2 4,-1.0 1,-0.2 -3,-0.1 -0.684 41.4-162.1 -82.9 122.7 -8.7 80.8 21.0 18 18 A V H > S+ 0 0 48 -2,-0.5 4,-2.8 2,-0.2 5,-0.2 0.877 90.2 57.5 -70.3 -39.6 -6.1 80.1 23.8 19 19 A E H > S+ 0 0 126 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.892 104.0 54.0 -57.7 -39.6 -7.8 82.3 26.3 20 20 A S H > S+ 0 0 39 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.866 110.0 48.1 -62.4 -36.4 -11.0 80.2 25.9 21 21 A M H X S+ 0 0 5 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.961 114.8 42.9 -68.6 -52.9 -8.9 77.1 26.6 22 22 A K H X S+ 0 0 74 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.936 113.7 51.6 -58.5 -48.7 -7.2 78.6 29.7 23 23 A K H X S+ 0 0 73 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.874 108.1 54.4 -56.4 -37.5 -10.5 80.0 30.9 24 24 A A H < S+ 0 0 1 -4,-1.5 4,-0.4 -5,-0.3 -1,-0.2 0.891 112.5 41.7 -64.1 -40.9 -12.0 76.6 30.4 25 25 A M H ><>S+ 0 0 0 -4,-1.9 5,-1.9 -3,-0.2 3,-1.0 0.839 108.2 59.6 -76.0 -34.4 -9.3 75.0 32.6 26 26 A V H ><5S+ 0 0 82 -4,-3.0 3,-2.1 1,-0.3 -1,-0.2 0.841 96.1 62.7 -62.7 -33.2 -9.4 77.8 35.2 27 27 A E T 3<5S+ 0 0 96 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.800 101.1 53.4 -61.1 -28.2 -13.1 77.0 35.8 28 28 A Y T < 5S- 0 0 49 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.154 117.4-116.0 -92.2 17.6 -11.9 73.6 37.0 29 29 A E T < 5 + 0 0 100 -3,-2.1 53,-1.7 1,-0.2 2,-1.0 0.712 57.8 164.6 55.0 20.9 -9.5 75.2 39.5 30 30 A I < - 0 0 6 -5,-1.9 2,-0.5 51,-0.2 51,-0.3 -0.584 42.0-127.2 -73.9 102.0 -6.7 73.6 37.4 31 31 A D >> - 0 0 36 -2,-1.0 3,-2.3 49,-0.3 4,-1.2 -0.302 15.6-156.6 -52.7 104.3 -3.6 75.4 38.5 32 32 A L T 34 S+ 0 0 45 -2,-0.5 -1,-0.2 1,-0.3 5,-0.1 0.580 88.0 70.2 -62.4 -8.7 -2.2 76.6 35.1 33 33 A Q T 34 S+ 0 0 168 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.550 108.6 32.1 -85.6 -8.9 1.2 76.7 36.8 34 34 A K T <4 S+ 0 0 126 -3,-2.3 -2,-0.2 46,-0.1 -1,-0.2 0.487 130.2 34.6-119.7 -14.5 1.4 73.0 37.1 35 35 A M S < S+ 0 0 4 -4,-1.2 -2,-0.1 -5,-0.1 5,-0.1 -0.413 71.9 177.2-142.6 64.3 -0.6 72.1 33.9 36 36 A P >> - 0 0 54 0, 0.0 3,-2.3 0, 0.0 4,-0.7 -0.119 48.9-101.1 -61.2 166.3 -0.0 74.6 31.1 37 37 A L G >4 S+ 0 0 11 1,-0.3 3,-0.7 2,-0.2 77,-0.1 0.836 127.4 54.5 -59.4 -31.6 -1.7 73.9 27.7 38 38 A G G 34 S+ 0 0 57 1,-0.2 -1,-0.3 3,-0.0 73,-0.0 0.388 102.2 59.4 -82.8 5.2 1.6 72.6 26.5 39 39 A K G <4 S+ 0 0 118 -3,-2.3 -1,-0.2 -4,-0.0 -2,-0.2 0.547 81.2 107.8-105.0 -15.0 1.7 70.2 29.4 40 40 A L << + 0 0 16 -3,-0.7 2,-0.3 -4,-0.7 3,-0.1 -0.363 46.4 178.8 -66.4 142.5 -1.6 68.5 28.5 41 41 A S > - 0 0 21 1,-0.1 4,-1.7 -2,-0.1 5,-0.1 -0.998 37.9-137.1-148.4 146.2 -1.4 64.9 27.1 42 42 A K H > S+ 0 0 84 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.804 109.5 54.8 -70.6 -30.2 -3.7 62.2 25.9 43 43 A R H > S+ 0 0 144 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.844 107.9 50.1 -70.8 -33.9 -1.7 59.6 27.8 44 44 A Q H > S+ 0 0 33 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.884 109.8 50.2 -70.4 -40.9 -2.2 61.6 31.0 45 45 A I H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 3,-0.3 0.903 108.3 51.2 -65.9 -43.4 -5.9 62.0 30.5 46 46 A Q H X S+ 0 0 82 -4,-1.9 4,-2.5 1,-0.3 5,-0.2 0.937 106.4 54.8 -59.5 -46.1 -6.5 58.2 29.9 47 47 A A H X S+ 0 0 44 -4,-1.6 4,-1.2 1,-0.2 -1,-0.3 0.817 109.8 49.4 -56.1 -30.2 -4.6 57.5 33.1 48 48 A A H X S+ 0 0 0 -4,-1.0 4,-2.6 -3,-0.3 5,-0.3 0.913 105.7 54.5 -75.2 -45.3 -7.1 59.8 34.7 49 49 A Y H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.916 106.3 53.5 -53.5 -45.7 -10.1 58.1 33.2 50 50 A S H X S+ 0 0 42 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.902 108.9 49.0 -56.9 -43.8 -8.9 54.8 34.6 51 51 A I H X S+ 0 0 9 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.968 110.9 47.9 -61.2 -54.5 -8.7 56.4 38.1 52 52 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.878 112.5 52.0 -53.2 -38.6 -12.2 57.9 37.9 53 53 A S H X S+ 0 0 15 -4,-2.6 4,-2.5 169,-0.3 -1,-0.2 0.927 108.7 48.4 -63.5 -46.0 -13.3 54.4 36.7 54 54 A E H X S+ 0 0 86 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.797 111.3 53.6 -64.0 -28.6 -11.6 52.8 39.7 55 55 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.965 108.3 45.9 -69.9 -54.8 -13.3 55.4 41.8 56 56 A Q H X S+ 0 0 29 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.931 113.1 51.0 -53.0 -49.5 -16.8 54.6 40.5 57 57 A Q H < S+ 0 0 129 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.871 110.2 50.7 -56.4 -39.1 -16.2 50.9 40.9 58 58 A A H >X>S+ 0 0 9 -4,-1.5 4,-3.5 1,-0.2 3,-1.6 0.941 108.7 49.8 -64.9 -49.0 -15.1 51.6 44.5 59 59 A V H 3<5S+ 0 0 45 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.872 107.7 54.9 -57.4 -39.3 -18.2 53.6 45.3 60 60 A S T 3<5S+ 0 0 89 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.574 117.6 36.9 -71.9 -9.3 -20.3 50.8 43.9 61 61 A Q T <45S- 0 0 165 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.734 110.1-115.9-109.7 -38.8 -18.6 48.4 46.3 62 62 A G T <5 - 0 0 49 -4,-3.5 -3,-0.2 -5,-0.1 -4,-0.1 0.859 31.3-174.4 98.9 54.0 -18.1 50.5 49.4 63 63 A S < - 0 0 39 -5,-1.0 4,-0.4 1,-0.1 -4,-0.1 0.695 34.3-136.3 -51.9 -20.1 -14.3 50.8 49.7 64 64 A S - 0 0 90 -6,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.992 47.2 -60.5 58.0 77.5 -15.1 52.5 53.0 65 65 A D S > S+ 0 0 121 1,-0.2 2,-1.4 2,-0.1 3,-1.1 0.079 118.2 60.6 49.1-164.3 -12.7 55.5 53.0 66 66 A S T 3> S+ 0 0 90 1,-0.3 4,-3.0 2,-0.2 5,-0.4 -0.270 107.0 48.3 52.6 -86.3 -8.9 55.0 52.9 67 67 A Q H 3> S+ 0 0 109 -2,-1.4 4,-1.7 -4,-0.4 -1,-0.3 0.854 118.4 42.9 -48.1 -39.7 -8.8 53.2 49.6 68 68 A I H <> S+ 0 0 17 -3,-1.1 4,-1.8 2,-0.2 23,-0.3 0.867 111.4 55.6 -75.0 -37.6 -11.1 56.0 48.2 69 69 A L H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.965 115.0 36.9 -58.0 -55.4 -9.1 58.6 50.0 70 70 A D H X S+ 0 0 89 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.849 115.2 55.3 -66.5 -35.4 -5.8 57.6 48.4 71 71 A L H < S+ 0 0 6 -4,-1.7 4,-0.2 -5,-0.4 -1,-0.2 0.792 108.1 51.2 -67.5 -26.8 -7.6 56.8 45.1 72 72 A S H >X S+ 0 0 1 -4,-1.8 4,-1.6 -3,-0.2 3,-1.2 0.900 109.0 47.6 -75.7 -43.7 -8.8 60.4 45.2 73 73 A N H 3X S+ 0 0 72 -4,-1.9 4,-1.2 1,-0.3 5,-0.2 0.827 101.2 66.7 -66.2 -31.4 -5.4 61.9 45.8 74 74 A R H 3< S+ 0 0 131 -4,-1.9 4,-0.5 1,-0.2 -1,-0.3 0.706 104.6 46.7 -62.1 -18.8 -4.1 59.7 42.9 75 75 A F H X> S+ 0 0 0 -3,-1.2 4,-2.7 -4,-0.2 3,-0.8 0.922 109.5 47.6 -87.4 -55.0 -6.3 61.9 40.7 76 76 A Y H 3<>S+ 0 0 24 -4,-1.6 5,-0.5 1,-0.3 -2,-0.2 0.599 110.3 56.8 -64.2 -10.2 -5.5 65.4 41.9 77 77 A T T 3<5S+ 0 0 116 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.787 112.2 39.9 -87.9 -32.1 -1.8 64.4 41.6 78 78 A L T <45S+ 0 0 49 -3,-0.8 -2,-0.2 -4,-0.5 -3,-0.1 0.766 124.4 40.8 -84.8 -29.6 -2.3 63.5 38.0 79 79 A I T <5S- 0 0 2 -4,-2.7 -1,-0.3 -31,-0.1 -44,-0.1 -0.801 92.4-137.4-124.8 88.0 -4.6 66.5 37.4 80 80 A P T 5 + 0 0 19 0, 0.0 -49,-0.3 0, 0.0 2,-0.2 -0.186 29.7 175.1 -47.9 115.0 -3.1 69.5 39.3 81 81 A H < - 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