==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUL-12 4B32 . COMPND 2 MOLECULE: DNA REPAIR AND RECOMBINATION PROTEIN RADA; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR D.E.SCOTT,M.T.EHEBAUER,T.PUKALA,M.MARSH,T.L.BLUNDELL, . 220 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 9.1 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 16 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 3 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 1 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 . 2 0 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 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 1 108 A A 0 0 108 0, 0.0 3,-0.1 0, 0.0 168,-0.1 0.000 360.0 360.0 360.0 148.8 -0.4 6.0 -15.0 2 109 A T - 0 0 126 1,-0.1 2,-0.2 167,-0.0 21,-0.0 -0.378 360.0 -99.8 -61.6 141.0 -2.5 3.1 -13.6 3 110 A I - 0 0 62 21,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.469 41.0-152.6 -63.5 130.8 -1.8 2.3 -10.0 4 111 A G - 0 0 13 -2,-0.2 19,-2.6 -3,-0.1 2,-0.4 -0.736 3.6-147.4-102.6 157.2 0.5 -0.7 -9.8 5 112 A R E -A 22 0A 98 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.976 2.4-150.6-129.1 141.8 0.6 -3.2 -6.9 6 113 A I E -A 21 0A 0 15,-2.3 15,-2.3 -2,-0.4 50,-0.2 -0.943 24.7-122.7-109.4 125.5 3.5 -5.2 -5.5 7 114 A S - 0 0 18 48,-2.9 13,-0.1 -2,-0.5 40,-0.1 -0.437 6.9-148.8 -65.3 138.0 2.7 -8.5 -3.8 8 115 A T - 0 0 0 2,-0.3 211,-0.3 -2,-0.1 -1,-0.1 0.496 46.8-107.3 -76.9 -9.1 3.8 -8.8 -0.2 9 116 A G S S+ 0 0 15 1,-0.2 2,-0.6 209,-0.1 212,-0.5 0.050 96.6 96.2 97.0 -23.1 4.4 -12.5 -0.7 10 117 A S > - 0 0 0 210,-0.3 4,-2.9 1,-0.1 -2,-0.3 -0.891 59.7-159.5-104.8 119.9 1.3 -13.3 1.4 11 118 A K H > S+ 0 0 168 -2,-0.6 4,-2.2 2,-0.2 -1,-0.1 0.886 96.8 52.3 -58.5 -39.8 -2.1 -13.9 -0.3 12 119 A S H > S+ 0 0 36 2,-0.2 4,-1.9 199,-0.2 -1,-0.2 0.942 113.3 42.4 -61.4 -49.8 -3.9 -13.1 2.9 13 120 A L H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.902 112.1 54.2 -67.3 -42.8 -2.1 -9.8 3.3 14 121 A D H <>S+ 0 0 21 -4,-2.9 5,-3.6 1,-0.2 6,-0.6 0.919 107.3 51.9 -54.3 -43.8 -2.4 -8.9 -0.3 15 122 A K H ><5S+ 0 0 173 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.929 108.0 50.8 -61.9 -44.9 -6.2 -9.4 -0.1 16 123 A L H 3<5S+ 0 0 23 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.856 112.4 48.0 -57.8 -36.5 -6.4 -7.1 2.9 17 124 A L T 3<5S- 0 0 8 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.408 121.4-104.3 -90.2 2.8 -4.5 -4.5 1.0 18 125 A G T < 5S- 0 0 41 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.720 90.8 -29.4 81.1 21.3 -6.6 -4.7 -2.2 19 126 A G S -A 5 0A 58 -2,-0.2 3,-0.6 -17,-0.2 150,-0.4 -0.630 3.8-131.7 -94.2 140.5 0.3 0.6 -4.2 23 130 A T T 3 S+ 0 0 0 -19,-2.6 148,-0.3 -2,-0.3 143,-0.1 -0.396 97.6 39.2 -68.5 164.6 2.4 2.8 -6.4 24 131 A Q T 3 S+ 0 0 58 146,-1.6 2,-0.3 141,-0.6 -1,-0.2 0.769 110.1 84.6 59.8 28.9 1.5 6.5 -6.0 25 132 A A E < S-b 171 0B 19 145,-0.7 147,-2.4 -3,-0.6 2,-0.5 -0.981 74.0-127.4-151.4 157.9 1.0 5.9 -2.3 26 133 A I E -b 172 0B 1 155,-0.4 157,-2.7 -2,-0.3 2,-0.5 -0.968 21.2-161.7-108.4 119.4 2.9 5.7 1.0 27 134 A T E -bc 173 183B 1 145,-2.8 147,-2.8 -2,-0.5 2,-0.5 -0.919 7.0-162.4 -99.4 127.6 2.3 2.5 3.0 28 135 A E E -bc 174 184B 17 155,-2.8 157,-2.5 -2,-0.5 2,-0.5 -0.948 2.8-165.5-119.5 114.1 3.3 2.9 6.6 29 136 A V E -bc 175 185B 1 145,-2.7 147,-2.2 -2,-0.5 2,-0.3 -0.901 3.1-163.3-111.1 122.9 3.8 -0.3 8.6 30 137 A F E +bc 176 186B 18 155,-3.0 157,-2.9 -2,-0.5 2,-0.3 -0.746 21.7 141.1-101.5 146.0 4.0 -0.2 12.4 31 138 A G - 0 0 6 145,-1.3 157,-0.1 -2,-0.3 3,-0.1 -0.875 42.3-117.4-178.6 151.2 5.3 -2.9 14.7 32 139 A E > - 0 0 158 155,-0.5 3,-2.1 -2,-0.3 5,-0.3 -0.314 69.4 -50.3 -83.8 173.9 7.2 -3.5 17.9 33 140 A F T 3 S+ 0 0 179 1,-0.3 -1,-0.2 2,-0.1 144,-0.0 -0.178 131.0 12.4 -52.4 129.3 10.5 -5.5 17.8 34 141 A G T 3 S+ 0 0 48 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.574 85.5 129.2 80.9 11.3 10.1 -8.7 15.8 35 142 A S S < S- 0 0 5 -3,-2.1 153,-0.2 152,-0.1 -2,-0.1 0.749 79.1-110.5 -66.5 -28.3 6.7 -7.7 14.4 36 143 A G S > S+ 0 0 5 -4,-0.2 4,-2.4 151,-0.1 5,-0.2 0.367 81.9 123.0 110.8 -1.5 7.8 -8.6 10.9 37 144 A K H > S+ 0 0 29 -5,-0.3 4,-1.8 1,-0.2 5,-0.1 0.886 79.2 42.4 -64.7 -40.0 7.9 -5.1 9.4 38 145 A T H > S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.873 112.7 54.7 -74.2 -33.3 11.5 -5.2 8.3 39 146 A Q H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 180,-0.2 0.891 108.0 50.3 -61.9 -37.9 11.0 -8.8 7.0 40 147 A L H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.918 108.8 51.8 -65.2 -42.9 8.1 -7.3 4.9 41 148 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.941 110.7 47.5 -57.2 -47.8 10.5 -4.6 3.7 42 149 A H H X S+ 0 0 1 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.894 112.5 49.6 -62.6 -40.1 13.0 -7.2 2.6 43 150 A T H >X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 3,-1.1 0.935 109.5 50.6 -65.6 -46.2 10.4 -9.4 0.9 44 151 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 -1,-0.2 0.864 102.7 61.1 -59.9 -36.0 8.9 -6.4 -1.0 45 152 A A H 3< S+ 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.746 113.9 36.8 -65.2 -24.1 12.5 -5.5 -2.2 46 153 A V H X< S+ 0 0 0 -3,-1.1 3,-1.6 -4,-0.7 4,-0.3 0.866 114.2 54.1 -86.9 -50.4 12.6 -8.9 -3.9 47 154 A M H >< S+ 0 0 7 -4,-3.1 3,-2.0 1,-0.3 11,-0.3 0.856 99.7 61.0 -55.3 -40.7 9.0 -9.1 -5.1 48 155 A V T 3< S+ 0 0 0 -4,-2.4 11,-2.2 1,-0.3 9,-2.1 0.744 96.1 62.5 -63.6 -21.2 9.0 -5.8 -6.9 49 156 A Q T < S+ 0 0 17 -3,-1.6 -1,-0.3 9,-0.2 -2,-0.2 0.575 88.6 89.6 -80.3 -10.0 11.7 -7.1 -9.2 50 157 A L S < S- 0 0 9 -3,-2.0 8,-3.0 -4,-0.3 9,-0.3 -0.375 89.5 -96.5 -78.0 163.0 9.4 -9.9 -10.6 51 158 A P > > - 0 0 33 0, 0.0 5,-2.0 0, 0.0 3,-1.9 -0.421 40.7-101.4 -73.3 160.9 7.2 -9.5 -13.6 52 159 A P G > 5S+ 0 0 74 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 0.804 121.4 63.3 -53.5 -35.3 3.5 -8.5 -13.0 53 160 A E G 3 5S+ 0 0 167 1,-0.3 4,-0.0 2,-0.1 -3,-0.0 0.777 109.1 41.4 -61.4 -26.9 2.4 -12.1 -13.6 54 161 A E G < 5S- 0 0 113 -3,-1.9 -1,-0.3 -7,-0.1 -4,-0.1 0.295 130.9 -91.0-104.3 7.3 4.5 -13.1 -10.5 55 162 A G T < 5S+ 0 0 20 -3,-1.4 -48,-2.9 1,-0.3 2,-0.1 0.511 91.7 99.1 101.0 6.3 3.4 -10.1 -8.4 56 163 A G < - 0 0 1 -5,-2.0 -1,-0.3 -50,-0.2 -8,-0.2 -0.348 67.5-129.7-111.2-165.8 6.1 -7.5 -9.2 57 164 A L - 0 0 38 -9,-2.1 -8,-0.1 -6,-0.1 3,-0.1 0.054 48.4-107.9-135.4 23.1 6.6 -4.5 -11.4 58 165 A N S S+ 0 0 72 -8,-3.0 -9,-0.2 -11,-0.3 2,-0.2 0.912 76.2 146.5 48.4 46.8 9.9 -5.3 -13.1 59 166 A G - 0 0 0 -11,-2.2 66,-0.2 -9,-0.3 2,-0.2 -0.663 51.4-125.7-117.3 167.5 11.4 -2.6 -11.0 60 167 A S E -d 125 0B 6 64,-2.3 66,-2.7 -2,-0.2 67,-1.3 -0.569 28.5-133.4 -97.4 169.8 14.5 -1.4 -9.1 61 168 A V E -de 127 93B 1 31,-2.7 33,-2.9 -2,-0.2 2,-0.4 -0.925 11.4-160.5-128.8 147.7 14.6 -0.4 -5.4 62 169 A M E -de 128 94B 22 65,-2.1 67,-2.8 -2,-0.3 2,-0.5 -0.999 17.3-166.8-125.6 134.8 16.0 2.4 -3.3 63 170 A W E -de 129 95B 2 31,-2.9 33,-2.6 -2,-0.4 2,-0.6 -0.972 11.7-166.2-132.0 117.3 16.4 1.7 0.4 64 171 A I E -de 130 96B 7 65,-3.0 67,-2.6 -2,-0.5 2,-0.5 -0.925 12.6-165.6-103.8 122.7 17.1 4.3 3.1 65 172 A D E +de 131 97B 1 31,-2.5 33,-2.6 -2,-0.6 67,-0.3 -0.916 15.5 175.9-114.5 120.9 18.2 2.6 6.4 66 173 A T S S+ 0 0 0 65,-2.4 66,-0.2 -2,-0.5 -1,-0.1 0.710 81.4 26.4 -97.2 -22.4 18.2 4.6 9.6 67 174 A E S S- 0 0 116 64,-0.6 -1,-0.1 30,-0.0 65,-0.1 0.102 110.1 -97.6-132.4 23.3 19.3 2.0 12.2 68 175 A N S S+ 0 0 87 63,-0.2 29,-0.0 1,-0.1 -3,-0.0 0.957 77.2 134.4 61.8 53.9 21.3 -0.6 10.3 69 176 A T + 0 0 39 62,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.477 32.6 108.2-110.7 -4.1 18.5 -3.1 9.8 70 177 A F - 0 0 25 61,-0.1 -5,-0.0 1,-0.0 -32,-0.0 -0.594 49.1-167.4 -74.9 131.8 19.1 -3.9 6.1 71 178 A R >> - 0 0 132 -2,-0.3 4,-1.7 1,-0.1 3,-0.9 -0.899 13.9-169.7-125.2 100.8 20.5 -7.4 5.6 72 179 A P H 3> S+ 0 0 54 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.864 90.8 58.1 -56.4 -36.2 21.9 -8.2 2.2 73 180 A E H 3> S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.842 103.9 51.9 -66.1 -29.5 22.2 -11.9 3.1 74 181 A R H <> S+ 0 0 33 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.877 108.4 50.8 -71.0 -40.0 18.5 -11.9 3.8 75 182 A I H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.942 110.4 49.9 -55.9 -49.4 17.8 -10.5 0.4 76 183 A R H X S+ 0 0 79 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.922 111.9 48.7 -58.6 -44.3 20.0 -13.2 -1.2 77 184 A E H X S+ 0 0 81 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.949 113.8 44.2 -62.1 -49.6 18.1 -15.9 0.8 78 185 A I H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.916 114.5 51.1 -62.3 -42.6 14.7 -14.6 -0.2 79 186 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.1 -5,-0.2 3,-1.2 0.950 112.7 44.1 -58.1 -53.0 15.7 -14.1 -3.8 80 187 A Q H ><5S+ 0 0 137 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.908 110.1 54.2 -66.4 -41.4 17.2 -17.6 -4.2 81 188 A N H 3<5S+ 0 0 67 -4,-2.5 -1,-0.3 135,-0.3 -2,-0.2 0.604 112.2 47.5 -65.5 -12.0 14.2 -19.3 -2.4 82 189 A R T <<5S- 0 0 53 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.347 122.3-103.4-110.0 1.8 12.0 -17.6 -4.9 83 190 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 -4,-0.4 2,-0.2 0.447 79.2 122.0 97.6 0.9 14.0 -18.4 -8.1 84 191 A L S - 0 0 87 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.750 29.2-147.0 -81.6 118.5 19.5 -14.6 -9.0 86 193 A P H > S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.835 96.0 49.3 -58.2 -35.9 20.6 -13.3 -5.6 87 194 A D H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.921 111.8 47.3 -70.3 -43.0 23.4 -11.2 -7.0 88 195 A E H > S+ 0 0 91 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.936 111.6 52.1 -61.7 -44.7 21.2 -9.6 -9.7 89 196 A V H >< S+ 0 0 4 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.927 111.7 45.3 -58.9 -47.8 18.5 -8.9 -7.0 90 197 A L H >< S+ 0 0 29 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.865 106.2 61.0 -61.7 -37.8 21.0 -7.2 -4.7 91 198 A K H 3< S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.761 101.5 54.3 -60.1 -26.0 22.5 -5.2 -7.6 92 199 A H T << S+ 0 0 45 -4,-1.1 -31,-2.7 -3,-0.7 2,-0.6 0.198 88.7 86.0-102.6 18.0 19.1 -3.6 -8.2 93 200 A I E < -e 61 0B 14 -3,-1.7 2,-0.6 -33,-0.2 -31,-0.2 -0.963 67.9-153.8-112.8 108.0 18.7 -2.3 -4.6 94 201 A A E -e 62 0B 29 -33,-2.9 -31,-2.9 -2,-0.6 2,-0.4 -0.757 19.4-154.7 -81.5 121.1 20.3 1.1 -4.2 95 202 A Y E +e 63 0B 101 -2,-0.6 2,-0.4 -33,-0.2 -31,-0.2 -0.822 19.8 173.6-106.1 136.5 21.3 1.4 -0.6 96 203 A A E -e 64 0B 28 -33,-2.6 -31,-2.5 -2,-0.4 2,-0.4 -0.972 21.2-145.6-139.9 129.0 21.8 4.5 1.6 97 204 A R E -e 65 0B 62 -2,-0.4 2,-0.6 -33,-0.2 -31,-0.2 -0.731 15.1-147.4 -80.7 133.3 22.4 4.8 5.3 98 205 A A - 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