==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 08-JUL-94 2BPC . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.R.SAWAYA,H.PELLETIER,A.KUMAR,S.H.WILSON,J.KRAUT . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 11.2 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 0.8 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 . 18 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 1 0 2 3 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 91 A D >> 0 0 132 0, 0.0 2,-4.4 0, 0.0 3,-2.0 0.000 360.0 360.0 360.0 145.2 24.7 49.1 10.9 2 92 A D T 34 + 0 0 88 1,-0.3 0, 0.0 2,-0.2 0, 0.0 -0.092 360.0 62.1 -51.0 44.2 22.8 48.4 14.2 3 93 A T T >> S+ 0 0 65 -2,-4.4 4,-1.8 3,-0.0 3,-0.8 0.458 88.0 60.4-138.8 -35.0 20.0 46.5 12.4 4 94 A S H <> S+ 0 0 79 -3,-2.0 4,-2.0 1,-0.3 5,-0.2 0.921 102.2 61.4 -61.9 -39.6 21.6 43.5 10.7 5 95 A S H 3X S+ 0 0 65 -4,-0.8 4,-1.5 1,-0.2 -1,-0.3 0.789 100.1 55.3 -54.1 -29.2 22.3 42.9 14.3 6 96 A S H <> S+ 0 0 17 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.962 102.3 50.7 -73.0 -53.4 18.5 42.8 14.7 7 97 A I H X S+ 0 0 36 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.880 109.9 54.1 -51.6 -39.4 17.7 40.1 12.1 8 98 A N H X S+ 0 0 105 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.916 105.7 50.4 -59.4 -49.2 20.3 38.0 13.8 9 99 A F H >< S+ 0 0 46 -4,-1.5 3,-0.9 -3,-0.2 4,-0.3 0.895 106.9 56.9 -57.8 -41.2 18.8 38.3 17.2 10 100 A L H >< S+ 0 0 0 -4,-2.2 3,-3.3 1,-0.3 6,-0.3 0.965 103.3 50.9 -51.4 -63.1 15.4 37.3 15.7 11 101 A T H 3< S+ 0 0 61 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.639 93.4 75.8 -50.3 -19.6 16.7 34.0 14.3 12 102 A R T << S+ 0 0 123 -3,-0.9 2,-0.5 -4,-0.8 -1,-0.3 0.719 82.7 85.2 -66.7 -18.8 18.1 33.4 17.9 13 103 A V S X S- 0 0 3 -3,-3.3 3,-1.6 -4,-0.3 2,-0.4 -0.750 91.2-121.7 -86.9 118.1 14.4 32.7 18.6 14 104 A T T 3 S+ 0 0 41 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.523 101.7 29.1 -66.7 124.6 13.4 29.2 17.9 15 105 A G T 3 S+ 0 0 27 -2,-0.4 2,-1.1 -4,-0.2 -1,-0.3 -0.364 94.6 103.1 122.8 -43.3 10.7 29.4 15.4 16 106 A I < - 0 0 5 -3,-1.6 -3,-0.2 -6,-0.3 -1,-0.1 -0.671 52.1-178.6 -79.4 100.0 11.8 32.6 14.0 17 107 A G > - 0 0 29 -2,-1.1 4,-2.6 -3,-0.1 5,-0.2 -0.313 40.9 -93.0 -87.1 172.2 13.4 31.6 10.7 18 108 A P H >> S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 3,-0.9 0.965 121.9 43.4 -57.6 -68.0 15.0 34.2 8.5 19 109 A S H 3> S+ 0 0 88 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.780 120.4 48.2 -47.4 -28.8 12.2 35.2 6.0 20 110 A A H 3> S+ 0 0 24 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.844 107.6 53.9 -78.4 -38.1 10.1 35.2 9.1 21 111 A A H X S+ 0 0 164 -4,-2.3 3,-2.1 2,-0.2 4,-1.4 0.991 104.6 50.0 -64.3 -61.9 12.6 39.9 8.4 23 113 A K H 3< S+ 0 0 111 -4,-1.5 4,-0.3 1,-0.3 6,-0.2 0.828 106.9 58.5 -49.0 -32.2 8.8 40.6 8.2 24 114 A L H ><>S+ 0 0 3 -4,-1.3 5,-1.9 1,-0.2 3,-1.3 0.890 101.3 53.5 -65.7 -34.8 8.9 41.0 11.9 25 115 A V H X<5S+ 0 0 20 -3,-2.1 3,-2.2 -4,-1.1 -1,-0.2 0.839 98.3 65.5 -64.6 -34.3 11.5 43.8 11.5 26 116 A D T 3<5S+ 0 0 145 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.538 98.9 51.7 -63.9 -11.7 9.1 45.5 9.1 27 117 A E T < 5S- 0 0 150 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.324 127.0-105.2-102.4 -1.4 6.7 46.0 12.0 28 118 A G T < 5S+ 0 0 36 -3,-2.2 2,-0.9 1,-0.3 3,-0.3 0.532 74.5 148.3 86.5 7.4 9.6 47.5 13.9 29 119 A I < + 0 0 10 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 -0.674 14.6 127.6 -76.9 104.1 9.8 44.2 15.9 30 120 A K + 0 0 77 -2,-0.9 -1,-0.2 -3,-0.1 -5,-0.1 0.688 46.6 59.0-129.1 -45.6 13.5 43.9 16.7 31 121 A T S S- 0 0 60 -3,-0.3 4,-0.5 1,-0.1 5,-0.0 -0.099 84.5-105.4 -83.6-172.5 14.4 43.4 20.2 32 122 A L S >> S+ 0 0 69 2,-0.2 3,-2.5 1,-0.2 4,-1.8 0.975 126.3 48.4 -68.9 -59.2 13.5 40.8 22.7 33 123 A E H 3> S+ 0 0 43 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.750 104.3 61.6 -50.2 -32.8 11.2 43.2 24.4 34 124 A D H 34 S+ 0 0 53 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.672 108.5 44.5 -68.5 -22.0 9.7 44.0 20.9 35 125 A L H X4 S+ 0 0 4 -3,-2.5 3,-3.8 -4,-0.5 -2,-0.2 0.961 107.5 55.5 -81.3 -61.1 8.7 40.5 20.7 36 126 A R H >< S+ 0 0 97 -4,-1.8 3,-0.6 1,-0.3 -2,-0.2 0.673 108.0 50.1 -38.2 -38.2 7.3 40.1 24.2 37 127 A K T 3< S+ 0 0 158 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.251 114.0 49.4 -88.3 7.1 4.9 43.0 23.6 38 128 A N T X + 0 0 71 -3,-3.8 3,-2.7 1,-0.1 4,-0.4 0.037 53.3 146.2-144.8 40.7 3.8 41.5 20.4 39 129 A E G X + 0 0 103 -3,-0.6 3,-0.7 1,-0.3 8,-0.1 0.642 69.5 73.6 -48.4 -20.3 2.9 37.9 20.8 40 130 A D G 3 S+ 0 0 137 1,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.701 86.9 56.0 -73.2 -20.0 0.3 38.4 18.2 41 131 A K G < S+ 0 0 47 -3,-2.7 -1,-0.2 -6,-0.2 2,-0.2 0.726 102.2 78.9 -80.7 -16.7 2.6 38.6 15.2 42 132 A L S < S- 0 0 22 -3,-0.7 -27,-0.0 -4,-0.4 -26,-0.0 -0.562 73.1-124.6 -94.6 148.7 4.0 35.1 16.2 43 133 A N > - 0 0 87 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.149 42.9 -93.4 -80.4 179.3 3.0 31.5 15.8 44 134 A H H > S+ 0 0 95 2,-0.2 4,-2.3 3,-0.2 5,-0.1 0.905 126.9 50.6 -60.5 -38.2 2.7 29.0 18.7 45 135 A H H > S+ 0 0 43 2,-0.2 4,-3.6 1,-0.2 3,-0.3 0.988 111.3 43.3 -58.7 -69.1 6.3 28.0 18.0 46 136 A Q H > S+ 0 0 8 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.865 115.0 52.1 -48.3 -40.7 7.9 31.4 17.9 47 137 A R H X S+ 0 0 80 -4,-2.6 4,-2.0 2,-0.2 -1,-0.3 0.925 111.9 45.8 -65.3 -41.8 5.9 32.3 20.9 48 138 A I H X S+ 0 0 2 -4,-2.3 4,-1.8 -3,-0.3 -2,-0.2 0.932 110.8 51.1 -65.5 -47.7 7.1 29.2 22.7 49 139 A G H < S+ 0 0 1 -4,-3.6 4,-0.4 -35,-0.4 7,-0.2 0.903 112.9 47.8 -54.1 -44.6 10.7 29.7 21.8 50 140 A L H < S+ 0 0 11 -4,-2.2 3,-0.4 -5,-0.3 4,-0.3 0.822 105.4 57.8 -63.2 -39.1 10.5 33.3 23.1 51 141 A K H < S+ 0 0 115 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.916 120.3 31.2 -59.5 -35.5 8.8 32.2 26.2 52 142 A Y S X S+ 0 0 12 -4,-1.8 4,-3.3 1,-0.1 5,-0.3 0.348 80.8 123.5-105.1 4.1 11.9 30.1 26.7 53 143 A F H > S+ 0 0 14 -3,-0.4 4,-1.0 -4,-0.4 -1,-0.1 0.793 77.8 45.8 -29.8 -65.6 14.6 32.1 25.0 54 144 A E H >> S+ 0 0 113 -4,-0.3 3,-1.7 1,-0.2 4,-0.7 0.941 116.4 42.1 -51.5 -61.3 16.8 32.3 28.0 55 145 A D H >4 S+ 0 0 40 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.839 107.8 63.5 -57.4 -34.8 16.6 28.7 29.0 56 146 A F H 3< S+ 0 0 42 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.767 99.5 55.1 -62.6 -21.3 16.9 27.7 25.4 57 147 A E H << S+ 0 0 101 -3,-1.7 -1,-0.2 -4,-1.0 -2,-0.2 0.759 92.0 82.6 -79.2 -32.9 20.3 29.2 25.3 58 148 A K S << S- 0 0 120 -4,-0.7 2,-0.3 -3,-0.7 -3,-0.0 -0.138 77.3-122.6 -69.3 163.2 21.8 27.3 28.3 59 149 A R - 0 0 143 102,-0.1 40,-0.2 38,-0.0 -1,-0.1 -0.753 16.3-114.3-109.6 161.9 23.2 23.8 27.8 60 150 A I E -A 98 0A 0 38,-4.5 38,-2.2 -2,-0.3 2,-0.2 -0.802 20.5-142.9 -97.7 120.9 22.4 20.5 29.4 61 151 A P E >> -A 97 0A 55 0, 0.0 4,-3.1 0, 0.0 3,-0.7 -0.553 25.5-119.6 -73.9 149.9 24.9 18.8 31.6 62 152 A R H 3> S+ 0 0 61 34,-2.0 4,-2.7 1,-0.2 5,-0.3 0.804 110.9 69.4 -59.4 -26.6 24.8 15.1 31.2 63 153 A E H 3> S+ 0 0 174 33,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.954 114.2 31.4 -53.4 -44.8 24.0 14.7 35.0 64 154 A E H <> S+ 0 0 33 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.960 115.4 58.7 -72.3 -54.7 20.7 16.3 34.0 65 155 A M H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.774 107.1 48.6 -45.4 -35.4 20.6 14.9 30.6 66 156 A L H X S+ 0 0 63 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.969 108.6 51.3 -71.2 -53.6 20.7 11.4 32.0 67 157 A Q H X S+ 0 0 74 -4,-1.5 4,-1.4 -5,-0.3 -2,-0.2 0.749 110.7 52.3 -54.0 -25.5 17.9 12.0 34.5 68 158 A M H >X S+ 0 0 1 -4,-1.9 4,-1.3 2,-0.2 3,-0.6 0.980 107.9 49.0 -73.8 -64.6 16.0 13.3 31.7 69 159 A Q H 3X S+ 0 0 41 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.699 105.5 59.4 -44.3 -32.1 16.6 10.1 29.6 70 160 A D H 3X S+ 0 0 103 -4,-2.6 4,-2.9 2,-0.2 -1,-0.3 0.998 105.9 47.8 -61.2 -57.7 15.7 8.0 32.6 71 161 A I H X S+ 0 0 25 -4,-2.5 3,-1.0 -5,-0.2 4,-0.6 0.932 109.7 50.0 -59.7 -46.8 7.5 6.1 30.8 76 166 A V H >X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.3 3,-1.0 0.871 105.4 60.5 -60.4 -30.3 7.5 4.5 27.3 77 167 A K H 3< S+ 0 0 142 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.826 103.5 48.8 -63.7 -31.7 8.3 1.3 28.9 78 168 A K H << S+ 0 0 128 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.426 108.4 52.5 -88.4 -2.6 5.0 1.4 30.9 79 169 A L H << S- 0 0 25 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.798 138.6 -22.6 -95.2 -37.1 2.8 2.2 28.0 80 170 A D >< - 0 0 37 -4,-1.8 3,-2.1 -5,-0.2 -1,-0.2 -0.668 49.3-149.6-175.5 110.7 4.2 -0.7 26.1 81 171 A P T 3 S+ 0 0 98 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.656 95.2 76.6 -63.8 -8.6 7.5 -2.5 26.6 82 172 A E T 3 S+ 0 0 117 -6,-0.1 2,-0.6 -5,-0.1 27,-0.1 0.434 75.0 103.5 -81.5 7.2 7.5 -3.2 22.9 83 173 A Y < - 0 0 14 -3,-2.1 2,-0.6 -7,-0.2 24,-0.2 -0.826 60.5-159.0 -89.2 120.1 8.5 0.4 22.6 84 174 A I E -B 106 0B 37 22,-1.4 22,-1.4 -2,-0.6 2,-0.5 -0.868 13.4-178.6 -96.8 121.4 12.3 0.9 21.8 85 175 A A E +B 105 0B 17 -2,-0.6 2,-0.7 20,-0.2 20,-0.2 -0.877 10.0 178.7-130.9 111.2 13.5 4.3 22.8 86 176 A T E -B 104 0B 30 18,-1.7 18,-1.3 -2,-0.5 2,-0.8 -0.863 20.7-148.3-104.7 111.8 17.1 5.5 22.3 87 177 A V E +B 103 0B 1 -2,-0.7 16,-0.3 16,-0.2 78,-0.0 -0.667 35.9 176.4 -77.5 115.4 17.9 9.0 23.3 88 178 A C + 0 0 1 14,-2.1 4,-0.5 -2,-0.8 3,-0.3 0.322 24.8 91.5 -91.2-144.1 20.6 9.8 20.7 89 179 A G S >> S- 0 0 15 91,-1.6 3,-1.8 88,-0.2 4,-0.9 -0.002 100.7 -41.1 71.3 176.6 22.7 12.8 19.7 90 180 A S T 34>S+ 0 0 38 1,-0.3 5,-1.7 2,-0.2 3,-0.3 0.826 132.4 71.2 -41.0 -36.4 26.2 13.7 21.0 91 181 A F T >45S+ 0 0 8 -3,-0.3 3,-1.7 1,-0.2 -1,-0.3 0.918 91.2 52.8 -49.3 -51.7 24.9 12.7 24.4 92 182 A R T <45S+ 0 0 64 -3,-1.8 -1,-0.2 -4,-0.5 147,-0.2 0.897 103.4 62.8 -52.0 -42.3 24.8 9.0 23.4 93 183 A R T 3<5S- 0 0 57 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.043 126.0-100.8 -73.1 22.0 28.5 9.5 22.4 94 184 A G T < 5 + 0 0 38 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.339 60.6 172.9 74.7 -9.0 29.4 10.4 26.0 95 185 A A < - 0 0 26 -5,-1.7 -1,-0.2 1,-0.1 3,-0.1 0.086 35.7-133.2 -35.7 136.2 29.4 14.2 25.4 96 186 A E S S+ 0 0 154 1,-0.2 -34,-2.0 -35,-0.1 2,-0.3 0.727 84.9 13.6 -67.8 -26.8 29.8 16.1 28.6 97 187 A S E S-A 61 0A 45 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.2 -0.967 71.2-149.2-150.9 151.2 27.0 18.6 27.8 98 188 A S E -A 60 0A 1 -38,-2.2 -38,-4.5 -2,-0.3 3,-0.1 -0.950 16.9-149.1-135.3 151.7 24.1 18.7 25.3 99 189 A G S S- 0 0 31 -2,-0.3 63,-0.5 1,-0.3 2,-0.3 0.854 80.9 -11.5 -76.7 -48.1 22.1 21.2 23.4 100 190 A D - 0 0 76 61,-0.1 -1,-0.3 -40,-0.1 2,-0.2 -0.949 66.4-112.4-152.9 165.6 18.8 19.3 23.1 101 191 A M E - c 0 163B 0 61,-1.4 63,-0.6 -2,-0.3 2,-0.3 -0.618 24.6-174.1 -99.0 156.2 17.4 15.9 23.6 102 192 A D E - c 0 164B 17 -2,-0.2 -14,-2.1 -14,-0.2 2,-0.4 -0.667 5.4-164.4-163.2 104.5 16.1 13.7 20.9 103 193 A V E -Bc 87 165B 0 61,-2.9 63,-1.8 -2,-0.3 2,-0.5 -0.723 8.3-152.2 -88.3 132.9 14.5 10.5 21.6 104 194 A L E -Bc 86 166B 0 -18,-1.3 -18,-1.7 -2,-0.4 2,-0.4 -0.914 21.0-171.2-108.3 133.7 14.2 8.1 18.8 105 195 A L E +Bc 85 167B 0 61,-2.2 63,-3.8 -2,-0.5 2,-0.3 -0.980 15.2 159.6-140.8 147.1 11.3 5.8 19.0 106 196 A T E -B 84 0B 0 -22,-1.4 -22,-1.4 -2,-0.4 5,-0.1 -0.896 16.3-161.9-147.5 171.6 9.8 2.9 17.4 107 197 A H > - 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