==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAY-12 4AV1 . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.A.E.ALI,G.TIMINSZKY,R.ARRIBAS-BOSACOMA,M.KOZLOWSKI,P.O.HAS . 362 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.7 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 . 26 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 15.7 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 4 2 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 2 2 0 0 4 2 1 1 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 . 2 0 4 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 6 A D 0 0 144 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 40.2 1.2 -19.7 37.3 2 7 A K - 0 0 89 2,-0.2 64,-0.1 1,-0.1 31,-0.1 -0.670 360.0-114.2-106.5 164.1 2.1 -23.0 35.8 3 8 A L S S+ 0 0 57 62,-0.3 30,-2.5 -2,-0.2 2,-0.3 0.799 97.2 32.4 -67.1 -29.9 5.5 -24.9 35.9 4 9 A Y E -Ab 32 66A 34 61,-1.2 63,-2.2 28,-0.2 2,-0.3 -0.826 62.8-165.4-126.9 163.9 5.9 -24.6 32.1 5 10 A R E -Ab 31 67A 20 26,-1.5 26,-2.3 -2,-0.3 2,-0.3 -0.994 2.0-170.2-148.1 148.1 5.1 -22.2 29.3 6 11 A V E +A 30 0A 5 61,-2.1 2,-0.3 -2,-0.3 24,-0.2 -0.998 21.4 129.0-140.7 143.7 5.1 -22.3 25.5 7 12 A E E -A 29 0A 77 22,-1.6 22,-1.8 -2,-0.3 2,-0.6 -0.972 58.7 -72.9-171.5 178.2 4.7 -19.8 22.8 8 13 A Y E -A 28 0A 77 -2,-0.3 20,-0.2 20,-0.2 19,-0.1 -0.834 66.5 -93.7 -92.0 119.4 6.1 -18.3 19.5 9 14 A A - 0 0 1 18,-1.9 -1,-0.1 -2,-0.6 3,-0.1 0.023 30.0-153.8 -35.7 112.8 9.3 -16.3 20.3 10 15 A K S S+ 0 0 171 1,-0.1 2,-0.3 16,-0.1 -1,-0.2 0.652 80.9 7.9 -68.8 -13.2 8.1 -12.8 20.7 11 16 A S S > S- 0 0 54 13,-0.2 3,-0.7 12,-0.1 -1,-0.1 -0.978 71.2-120.4-161.2 159.3 11.6 -11.8 19.6 12 17 A G T 3 S+ 0 0 28 -2,-0.3 11,-0.3 1,-0.2 13,-0.1 0.153 93.8 86.5 -90.7 19.6 14.8 -13.4 18.3 13 18 A R T 3 + 0 0 224 9,-0.1 -1,-0.2 11,-0.1 12,-0.0 0.415 63.5 110.1 -97.3 -0.1 16.9 -12.3 21.2 14 19 A A < - 0 0 17 -3,-0.7 9,-1.2 9,-0.4 2,-0.4 -0.271 55.3-150.6 -69.1 162.3 16.0 -15.3 23.3 15 20 A S B -D 22 0B 58 7,-0.2 7,-0.2 31,-0.0 31,-0.1 -0.966 14.8-120.3-144.6 124.7 18.7 -18.0 23.9 16 21 A C > - 0 0 2 5,-2.5 4,-0.8 -2,-0.4 31,-0.3 -0.354 14.4-146.1 -59.8 134.3 18.4 -21.7 24.5 17 22 A K T 4 S+ 0 0 97 29,-1.6 -1,-0.1 2,-0.1 30,-0.1 0.517 94.3 51.6 -80.7 -5.0 19.8 -22.7 27.9 18 23 A K T 4 S+ 0 0 48 28,-0.2 -1,-0.1 3,-0.1 29,-0.1 0.912 126.7 13.1 -93.7 -64.1 21.0 -26.0 26.5 19 24 A C T 4 S- 0 0 53 2,-0.1 -2,-0.1 3,-0.0 3,-0.1 0.469 93.5-129.2 -94.6 -4.2 23.0 -25.2 23.3 20 25 A S < + 0 0 95 -4,-0.8 2,-0.2 1,-0.2 -3,-0.1 0.814 61.2 139.9 59.1 32.3 23.3 -21.5 24.1 21 26 A E - 0 0 119 1,-0.1 -5,-2.5 -5,-0.0 -1,-0.2 -0.654 56.1 -96.7-103.3 162.1 22.1 -20.7 20.6 22 27 A S B -D 15 0B 73 -2,-0.2 -7,-0.2 -7,-0.2 -1,-0.1 -0.228 31.4-130.7 -71.5 164.5 19.6 -18.0 19.5 23 28 A I - 0 0 0 -9,-1.2 -9,-0.4 -11,-0.3 -12,-0.1 -0.982 24.6-110.6-124.7 124.3 15.9 -18.6 18.9 24 29 A P > - 0 0 75 0, 0.0 3,-0.8 0, 0.0 -13,-0.2 0.062 32.8-105.5 -47.0 157.1 14.1 -17.5 15.7 25 30 A K T 3 S+ 0 0 133 1,-0.3 -13,-0.1 -13,-0.1 -12,-0.1 0.457 118.6 19.5 -70.5 -0.1 11.5 -14.7 15.9 26 31 A D T 3 S+ 0 0 120 -16,-0.0 -1,-0.3 -14,-0.0 -16,-0.1 0.230 91.5 131.9-151.9 13.4 8.7 -17.2 15.6 27 32 A S < - 0 0 35 -3,-0.8 -18,-1.9 -19,-0.1 2,-1.0 -0.233 67.9 -97.9 -68.5 160.6 10.2 -20.6 16.5 28 33 A L E +A 8 0A 24 -20,-0.2 21,-0.7 -22,-0.1 2,-0.4 -0.724 51.3 179.1 -84.4 104.6 8.5 -22.9 19.0 29 34 A R E -AC 7 48A 18 -22,-1.8 -22,-1.6 -2,-1.0 2,-0.4 -0.872 15.2-163.4-111.7 140.4 10.2 -22.3 22.3 30 35 A M E -AC 6 47A 0 17,-1.4 17,-1.3 -2,-0.4 2,-0.3 -0.985 10.5-165.8-123.0 131.3 9.4 -23.9 25.6 31 36 A A E -AC 5 46A 0 -26,-2.3 -26,-1.5 -2,-0.4 2,-0.5 -0.776 17.3-134.1-115.5 157.7 10.6 -22.5 29.0 32 37 A I E -AC 4 45A 31 13,-1.1 13,-0.6 -2,-0.3 2,-0.5 -0.954 26.4-127.7-109.6 124.2 10.8 -23.8 32.5 33 38 A M E + C 0 44A 46 -30,-2.5 2,-0.3 -2,-0.5 9,-0.1 -0.587 35.1 177.5 -75.7 119.2 9.6 -21.5 35.2 34 39 A V E - C 0 43A 58 9,-1.8 9,-2.5 -2,-0.5 2,-0.1 -0.899 33.6 -97.8-123.7 151.5 12.2 -21.0 37.9 35 40 A Q E - C 0 42A 97 -2,-0.3 7,-0.2 7,-0.2 -1,-0.0 -0.387 34.3-142.9 -67.5 142.3 12.3 -18.8 41.1 36 41 A S E >> - C 0 41A 8 5,-1.7 4,-0.9 -2,-0.1 5,-0.8 -0.938 11.4-156.9-113.6 124.8 14.1 -15.5 40.8 37 42 A P T 45S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.113 88.0 66.3 -80.1 21.6 16.2 -14.0 43.7 38 43 A M T 45S+ 0 0 91 3,-0.2 93,-0.1 95,-0.0 87,-0.0 0.758 118.1 1.4-113.8 -38.4 15.7 -10.6 42.2 39 44 A F T 45S- 0 0 74 -3,-0.4 3,-0.1 2,-0.2 92,-0.1 0.186 98.1-100.1-142.4 16.3 12.1 -9.6 42.4 40 45 A D T <5S+ 0 0 142 -4,-0.9 2,-0.3 1,-0.2 -5,-0.0 0.995 86.4 95.0 57.5 71.0 10.3 -12.5 44.1 41 46 A G E -C 29 0A 30 -2,-0.3 4,-2.6 -19,-0.2 5,-0.2 -0.480 42.5-108.0 -72.4 156.1 14.6 -24.9 21.6 49 54 A F H > S+ 0 0 51 -21,-0.7 4,-0.8 1,-0.2 -1,-0.1 0.881 124.4 36.5 -54.1 -39.1 11.7 -27.4 21.0 50 55 A S H 4 S+ 0 0 89 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.837 115.8 53.8 -81.1 -35.5 14.3 -30.1 20.6 51 56 A C H > S+ 0 0 17 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.758 100.2 64.7 -70.1 -25.0 16.6 -28.8 23.3 52 57 A F H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.947 104.2 40.9 -65.1 -51.9 13.7 -28.7 25.8 53 58 A W T 3< S+ 0 0 55 -4,-0.8 3,-0.5 1,-0.2 4,-0.3 0.545 106.7 70.0 -75.0 -6.0 13.1 -32.5 26.0 54 59 A K T 34 S+ 0 0 75 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.832 85.5 62.7 -80.2 -34.7 16.9 -33.0 25.9 55 60 A V S << S- 0 0 58 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.1 0.453 123.4 -99.5 -72.6 1.6 17.5 -31.6 29.5 56 61 A G + 0 0 61 -3,-0.5 2,-0.4 1,-0.2 -2,-0.1 0.985 64.5 155.4 80.2 73.1 15.3 -34.5 30.7 57 62 A H - 0 0 56 -4,-0.3 2,-0.7 -5,-0.1 -1,-0.2 -0.928 23.6-162.7-134.2 111.1 11.8 -33.3 31.4 58 63 A S - 0 0 120 -2,-0.4 2,-0.5 27,-0.0 27,-0.1 -0.822 8.6-172.2 -97.1 111.4 8.9 -35.8 31.3 59 64 A I - 0 0 3 -2,-0.7 -2,-0.0 25,-0.4 7,-0.0 -0.903 10.2-166.1-105.6 124.2 5.5 -34.1 31.1 60 65 A R S S+ 0 0 71 -2,-0.5 -1,-0.2 1,-0.3 25,-0.0 0.998 82.3 10.1 -67.8 -73.0 2.4 -36.3 31.4 61 66 A H >> - 0 0 124 1,-0.2 4,-2.1 23,-0.1 3,-1.2 -0.866 64.5-177.1-116.3 97.5 -0.4 -34.0 30.1 62 67 A P H 3> S+ 0 0 9 0, 0.0 4,-2.8 0, 0.0 7,-0.2 0.839 75.4 72.9 -59.4 -39.1 1.1 -30.9 28.5 63 68 A D H 34 S+ 0 0 85 1,-0.2 7,-0.2 2,-0.2 6,-0.2 0.748 115.1 21.9 -51.6 -28.0 -2.4 -29.3 27.8 64 69 A V H <4 S+ 0 0 92 -3,-1.2 -1,-0.2 5,-0.1 5,-0.0 0.751 123.9 51.1-109.4 -37.4 -2.7 -28.6 31.5 65 70 A E H < S+ 0 0 68 -4,-2.1 -61,-1.2 -63,-0.1 2,-0.4 0.838 102.6 68.6 -71.9 -33.7 0.8 -28.5 32.9 66 71 A V E >< S-b 4 0A 1 -4,-2.8 3,-0.9 -5,-0.2 2,-0.4 -0.741 82.2-132.1 -93.1 133.3 2.0 -26.1 30.2 67 72 A D E 3 S+b 5 0A 74 -63,-2.2 -61,-2.1 -2,-0.4 -3,-0.1 -0.669 88.6 17.6 -86.8 133.8 0.8 -22.5 30.2 68 73 A G T > S+ 0 0 24 -2,-0.4 3,-0.8 -63,-0.2 -1,-0.2 0.599 82.6 130.4 84.0 12.7 -0.5 -21.0 27.0 69 74 A F T < S+ 0 0 21 -3,-0.9 3,-0.3 1,-0.2 -2,-0.1 0.892 73.3 46.6 -63.6 -41.5 -0.9 -24.5 25.4 70 75 A S T 3 S+ 0 0 107 -7,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.495 100.1 75.3 -79.0 -4.9 -4.4 -23.7 24.3 71 76 A E S < S+ 0 0 80 -3,-0.8 2,-0.3 2,-0.1 -1,-0.2 -0.397 83.9 70.3-109.8 54.1 -3.3 -20.4 22.9 72 77 A L S S- 0 0 21 -2,-0.3 5,-0.2 -3,-0.3 -4,-0.0 -0.983 94.1 -57.1-160.3 162.2 -1.5 -21.4 19.7 73 78 A R >> - 0 0 46 -2,-0.3 3,-1.6 1,-0.1 4,-1.6 -0.077 47.0-125.7 -44.7 134.4 -2.1 -22.8 16.2 74 79 A W H 3> S+ 0 0 172 1,-0.3 4,-1.3 2,-0.2 5,-0.2 0.846 108.9 64.0 -51.2 -37.8 -3.9 -26.2 16.3 75 80 A D H 3> S+ 0 0 129 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.820 106.1 43.6 -57.8 -33.5 -1.0 -27.7 14.2 76 81 A D H <> S+ 0 0 44 -3,-1.6 4,-2.0 2,-0.2 3,-0.4 0.923 104.8 57.4 -81.6 -48.3 1.5 -27.0 17.0 77 82 A Q H X S+ 0 0 26 -4,-1.6 4,-1.8 1,-0.3 -2,-0.2 0.772 108.1 51.0 -57.9 -26.6 -0.4 -28.1 20.1 78 83 A Q H X S+ 0 0 98 -4,-1.3 4,-2.0 2,-0.2 -1,-0.3 0.860 107.4 52.0 -75.8 -37.9 -0.8 -31.5 18.5 79 84 A K H X S+ 0 0 43 -4,-0.8 4,-1.9 -3,-0.4 -2,-0.2 0.809 110.8 49.9 -65.6 -30.2 2.9 -31.6 17.8 80 85 A V H < S+ 0 0 0 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.907 111.0 46.7 -73.9 -44.3 3.4 -30.8 21.5 81 86 A K H X S+ 0 0 47 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.821 113.8 51.7 -66.4 -31.5 1.1 -33.6 22.7 82 87 A K H >X S+ 0 0 48 -4,-2.0 3,-0.7 1,-0.2 4,-0.6 0.990 112.7 39.3 -68.7 -62.9 2.7 -36.0 20.3 83 88 A T H 3< S+ 0 0 49 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.472 101.1 83.9 -68.6 0.2 6.4 -35.5 21.2 84 89 A A H 34 S+ 0 0 7 -4,-0.4 -25,-0.4 1,-0.2 -1,-0.2 0.964 93.6 37.8 -67.8 -54.8 5.2 -35.3 24.9 85 90 A E H << 0 0 156 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.675 360.0 360.0 -71.6 -17.3 5.1 -39.0 25.6 86 91 A A < 0 0 106 -4,-0.6 -3,-0.1 -28,-0.0 -2,-0.1 0.643 360.0 360.0 -88.1 360.0 8.2 -39.5 23.5 87 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 88 107 B E 0 0 151 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -17.3 44.0 -4.0 40.6 89 108 B K + 0 0 126 2,-0.1 2,-0.4 72,-0.0 72,-0.0 0.235 360.0 120.7-144.1 8.8 42.1 -1.1 42.2 90 109 B T - 0 0 81 1,-0.1 72,-0.2 67,-0.1 71,-0.1 -0.654 65.4-113.3 -85.6 133.4 39.4 -0.3 39.7 91 110 B L - 0 0 21 70,-2.7 -1,-0.1 -2,-0.4 72,-0.1 -0.215 16.6-153.3 -60.6 151.1 35.8 -0.6 40.9 92 111 B G S S+ 0 0 54 1,-0.1 -1,-0.1 70,-0.1 -2,-0.0 0.789 90.2 42.5 -97.1 -34.2 33.6 -3.4 39.4 93 112 B D S S+ 0 0 60 1,-0.1 30,-2.1 29,-0.1 2,-0.4 0.118 105.4 70.5-103.0 20.1 30.1 -1.9 39.7 94 113 B F E +E 122 0C 5 28,-0.2 69,-2.9 67,-0.2 2,-0.3 -0.920 61.4 169.2-139.4 112.6 31.1 1.7 38.7 95 114 B A E -Ef 121 163C 5 26,-0.9 26,-1.5 -2,-0.4 2,-0.4 -0.797 18.8-155.1-123.6 162.7 32.0 2.4 35.0 96 115 B A E +E 120 0C 2 67,-2.7 2,-0.3 -2,-0.3 24,-0.2 -1.000 26.5 138.5-139.5 136.2 32.6 5.4 32.8 97 116 B E E -E 119 0C 55 22,-2.0 22,-2.4 -2,-0.4 2,-0.4 -0.973 51.0 -81.2-163.2 172.4 32.3 5.8 29.1 98 117 B Y E -E 118 0C 82 -2,-0.3 20,-0.2 20,-0.2 19,-0.2 -0.709 58.3 -94.6 -87.1 134.7 31.2 8.0 26.2 99 118 B A - 0 0 3 18,-2.9 17,-2.2 -2,-0.4 -1,-0.1 -0.248 29.5-157.7 -50.6 114.9 27.5 7.9 25.3 100 119 B K S S+ 0 0 154 15,-0.2 2,-0.3 16,-0.1 -1,-0.2 0.599 75.8 0.9 -71.9 -10.3 27.2 5.4 22.5 101 120 B S - 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