==== 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 16-JUL-12 4B2L . 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, . 221 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 9.0 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 29.4 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 0 107 0, 0.0 3,-0.1 0, 0.0 168,-0.1 0.000 360.0 360.0 360.0 146.5 -0.6 6.1 -14.7 2 109 A T - 0 0 133 1,-0.1 2,-0.2 167,-0.0 21,-0.0 -0.381 360.0 -99.9 -58.7 141.5 -2.8 3.3 -13.4 3 110 A I - 0 0 63 21,-0.1 2,-0.3 19,-0.0 -1,-0.1 -0.484 40.0-153.0 -65.3 131.9 -1.9 2.3 -9.8 4 111 A G - 0 0 14 -2,-0.2 19,-2.5 -3,-0.1 2,-0.4 -0.734 3.5-146.0-103.1 158.4 0.3 -0.7 -9.7 5 112 A R E -A 22 0A 98 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.974 2.4-150.4-128.8 141.3 0.5 -3.2 -6.8 6 113 A I E -A 21 0A 0 15,-2.2 15,-2.2 -2,-0.4 50,-0.2 -0.946 25.3-122.9-108.4 125.1 3.4 -5.2 -5.3 7 114 A S - 0 0 18 48,-2.9 13,-0.1 -2,-0.5 40,-0.1 -0.408 7.1-148.3 -63.3 139.7 2.6 -8.5 -3.7 8 115 A T - 0 0 0 2,-0.4 211,-0.3 -2,-0.1 -1,-0.1 0.492 46.2-107.3 -80.1 -7.4 3.7 -8.8 -0.1 9 116 A G S S+ 0 0 15 1,-0.2 2,-0.6 209,-0.1 212,-0.5 0.035 97.2 96.6 95.6 -23.5 4.3 -12.5 -0.6 10 117 A S > - 0 0 0 210,-0.3 4,-3.0 1,-0.1 -2,-0.4 -0.885 59.7-160.1-104.5 119.6 1.2 -13.2 1.5 11 118 A K H > S+ 0 0 165 -2,-0.6 4,-2.3 2,-0.2 -1,-0.1 0.891 96.7 51.2 -59.3 -41.3 -2.1 -13.9 -0.2 12 119 A S H > S+ 0 0 33 2,-0.2 4,-2.0 199,-0.2 -1,-0.2 0.941 113.0 43.6 -60.1 -50.6 -4.0 -13.0 3.0 13 120 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.911 112.3 53.3 -64.6 -43.8 -2.1 -9.7 3.5 14 121 A D H <>S+ 0 0 22 -4,-3.0 5,-3.6 1,-0.2 6,-0.5 0.914 107.3 52.4 -54.6 -43.9 -2.5 -8.9 -0.2 15 122 A K H ><5S+ 0 0 173 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.933 108.5 50.0 -59.8 -45.1 -6.3 -9.4 0.1 16 123 A L H 3<5S+ 0 0 22 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.856 112.8 47.7 -60.6 -35.8 -6.4 -7.1 3.0 17 124 A L T 3<5S- 0 0 7 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.417 121.0-105.3 -88.6 2.9 -4.5 -4.5 1.1 18 125 A G T < 5S- 0 0 39 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.703 90.7 -28.5 79.8 20.5 -6.6 -4.8 -2.1 19 126 A G S -A 5 0A 55 -17,-0.2 3,-0.6 -2,-0.2 150,-0.4 -0.631 4.9-132.0 -92.1 141.7 0.2 0.6 -4.1 23 130 A T T 3 S+ 0 0 0 -19,-2.5 148,-0.3 -2,-0.3 3,-0.1 -0.398 97.4 38.9 -69.4 163.6 2.3 2.8 -6.2 24 131 A Q T 3 S+ 0 0 58 146,-1.7 2,-0.3 141,-0.6 -1,-0.2 0.787 110.5 85.1 60.0 28.6 1.4 6.5 -5.9 25 132 A A E < S-b 171 0B 18 145,-0.7 147,-2.4 -3,-0.6 2,-0.5 -0.981 74.2-127.6-151.0 158.4 0.9 5.9 -2.2 26 133 A I E -b 172 0B 1 155,-0.5 157,-2.7 -2,-0.3 2,-0.5 -0.966 20.8-161.7-109.0 119.2 2.8 5.7 1.1 27 134 A T E -bc 173 183B 1 145,-2.9 147,-2.8 -2,-0.5 2,-0.5 -0.914 7.4-162.4-100.2 126.2 2.2 2.5 3.1 28 135 A E E -bc 174 184B 17 155,-3.0 157,-2.6 -2,-0.5 2,-0.6 -0.948 2.5-165.0-118.0 113.9 3.2 2.9 6.7 29 136 A V E -bc 175 185B 1 145,-2.7 147,-2.1 -2,-0.5 2,-0.3 -0.895 3.8-164.9-110.6 120.7 3.8 -0.3 8.7 30 137 A F E +bc 176 186B 17 155,-3.0 157,-3.1 -2,-0.6 2,-0.3 -0.760 22.4 135.6-101.0 145.0 3.9 -0.1 12.5 31 138 A G - 0 0 7 145,-1.4 157,-0.1 -2,-0.3 3,-0.1 -0.880 46.1-105.9-179.8 156.6 5.2 -2.8 14.9 32 139 A E > - 0 0 145 155,-0.5 3,-2.2 -2,-0.3 5,-0.3 -0.241 68.4 -58.1 -77.1 172.8 7.3 -3.6 17.9 33 140 A F T 3 S+ 0 0 172 1,-0.3 -1,-0.2 2,-0.1 144,-0.0 -0.283 130.2 16.2 -55.0 128.6 10.6 -5.3 17.6 34 141 A G T 3 S+ 0 0 49 -3,-0.1 -1,-0.3 154,-0.0 -2,-0.1 0.558 85.9 125.9 83.9 9.2 10.2 -8.6 15.8 35 142 A S S < S- 0 0 4 -3,-2.2 153,-0.2 152,-0.1 -2,-0.1 0.734 81.6-109.0 -70.7 -24.8 6.7 -7.7 14.5 36 143 A G S > S+ 0 0 5 -4,-0.2 4,-2.5 151,-0.1 5,-0.2 0.375 82.7 122.3 110.4 -1.2 7.7 -8.5 10.9 37 144 A K H > S+ 0 0 28 -5,-0.3 4,-1.8 1,-0.2 -8,-0.1 0.888 80.8 41.3 -65.1 -39.8 7.8 -5.0 9.5 38 145 A T H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.864 113.0 54.9 -75.8 -32.9 11.5 -5.1 8.4 39 146 A Q H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 180,-0.3 0.905 108.3 49.8 -61.7 -39.5 10.9 -8.7 7.1 40 147 A L H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.918 108.7 52.9 -64.4 -42.9 8.1 -7.3 5.0 41 148 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.943 110.0 46.9 -55.9 -49.3 10.4 -4.6 3.8 42 149 A H H X S+ 0 0 1 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.890 112.6 50.2 -61.3 -39.7 13.0 -7.2 2.7 43 150 A T H >X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 3,-1.1 0.935 109.1 50.5 -67.3 -45.7 10.3 -9.3 1.0 44 151 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.861 102.8 60.7 -58.5 -36.6 8.9 -6.4 -1.0 45 152 A A H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.728 114.3 37.1 -66.5 -21.9 12.4 -5.4 -2.2 46 153 A V H X< S+ 0 0 0 -3,-1.1 3,-1.7 -4,-0.7 4,-0.4 0.863 114.1 53.2 -89.5 -51.7 12.5 -8.9 -3.9 47 154 A M H >< S+ 0 0 7 -4,-3.2 3,-1.9 1,-0.3 11,-0.2 0.852 100.3 61.8 -53.8 -39.3 8.9 -9.2 -5.0 48 155 A V T 3< S+ 0 0 0 -4,-2.4 11,-2.1 1,-0.3 9,-2.1 0.763 95.5 62.4 -64.7 -21.0 8.9 -5.8 -6.8 49 156 A Q T < S+ 0 0 15 -3,-1.7 -1,-0.3 9,-0.2 -2,-0.2 0.627 89.0 88.9 -80.1 -11.9 11.6 -7.1 -9.1 50 157 A L S < S- 0 0 13 -3,-1.9 8,-2.9 -4,-0.4 9,-0.3 -0.344 89.0 -95.9 -77.2 162.9 9.3 -9.9 -10.5 51 158 A P > > - 0 0 33 0, 0.0 5,-2.0 0, 0.0 3,-1.7 -0.393 41.7-101.5 -70.7 160.5 7.0 -9.5 -13.5 52 159 A P G > 5S+ 0 0 74 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 0.826 121.1 61.4 -53.4 -39.4 3.3 -8.6 -12.8 53 160 A E G 3 5S+ 0 0 173 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.743 110.1 43.5 -61.4 -22.1 2.1 -12.2 -13.3 54 161 A E G < 5S- 0 0 115 -3,-1.7 -1,-0.3 -7,-0.1 -4,-0.1 0.345 130.4 -94.5-104.6 3.1 4.4 -13.1 -10.4 55 162 A G T < 5S+ 0 0 19 -3,-1.7 -48,-2.9 1,-0.3 2,-0.1 0.524 90.0 98.8 100.6 7.6 3.3 -10.1 -8.3 56 163 A G < - 0 0 1 -5,-2.0 -1,-0.3 -50,-0.2 -8,-0.2 -0.366 67.7-130.0-112.0-166.1 6.0 -7.5 -9.1 57 164 A L - 0 0 40 -9,-2.1 -8,-0.1 -6,-0.1 3,-0.1 0.030 48.6-107.4-135.8 24.6 6.4 -4.5 -11.3 58 165 A N S S+ 0 0 62 -8,-2.9 -9,-0.2 -11,-0.2 2,-0.2 0.909 76.4 146.3 45.2 49.5 9.7 -5.3 -13.0 59 166 A G - 0 0 0 -11,-2.1 66,-0.2 -9,-0.3 2,-0.2 -0.669 51.2-125.4-118.3 166.4 11.2 -2.6 -10.9 60 167 A S E -d 125 0B 6 64,-2.5 66,-2.7 -2,-0.2 67,-1.3 -0.585 28.6-132.7 -96.5 169.7 14.3 -1.4 -9.0 61 168 A V E -de 127 93B 0 31,-2.7 33,-3.0 -2,-0.2 2,-0.4 -0.924 11.1-159.9-128.3 147.0 14.4 -0.5 -5.4 62 169 A M E -de 128 94B 0 65,-2.1 67,-2.8 -2,-0.3 2,-0.5 -1.000 17.4-166.7-125.0 130.8 15.9 2.4 -3.3 63 170 A W E -de 129 95B 0 31,-2.9 33,-2.7 -2,-0.4 2,-0.6 -0.966 11.0-166.9-128.4 115.9 16.4 1.7 0.4 64 171 A I E -de 130 96B 0 65,-2.9 67,-2.6 -2,-0.5 2,-0.5 -0.916 12.8-164.4-104.1 121.9 17.1 4.2 3.1 65 172 A D E +de 131 97B 1 31,-2.6 33,-2.7 -2,-0.6 67,-0.3 -0.916 16.5 175.2-114.5 120.1 18.2 2.6 6.4 66 173 A T S S+ 0 0 1 65,-2.4 66,-0.2 -2,-0.5 -1,-0.1 0.713 81.1 26.2 -97.9 -22.9 18.2 4.6 9.6 67 174 A E S S- 0 0 119 64,-0.6 -1,-0.1 68,-0.0 65,-0.1 0.112 109.7 -97.7-131.8 24.6 19.2 2.0 12.2 68 175 A N S S+ 0 0 88 63,-0.2 29,-0.0 1,-0.1 -3,-0.0 0.946 77.8 134.0 63.7 50.2 21.2 -0.7 10.3 69 176 A T + 0 0 39 62,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.449 32.6 107.6-109.0 -2.2 18.4 -3.1 9.8 70 177 A F - 0 0 23 61,-0.1 3,-0.1 -7,-0.0 -5,-0.0 -0.631 49.5-167.3 -76.5 131.6 19.0 -3.9 6.1 71 178 A R >> - 0 0 131 -2,-0.4 4,-1.7 1,-0.1 3,-1.0 -0.896 14.4-169.3-125.1 101.9 20.5 -7.4 5.7 72 179 A P H 3> S+ 0 0 59 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.859 91.0 58.8 -57.7 -35.5 21.9 -8.2 2.2 73 180 A E H 3> S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.837 103.5 51.6 -63.7 -30.6 22.1 -11.9 3.2 74 181 A R H <> S+ 0 0 31 -3,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.881 107.5 52.2 -73.3 -38.0 18.4 -11.9 3.9 75 182 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.943 110.2 49.0 -56.5 -48.2 17.7 -10.5 0.4 76 183 A R H X S+ 0 0 79 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.929 112.0 48.8 -59.1 -45.9 19.9 -13.3 -1.1 77 184 A E H X S+ 0 0 85 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.947 112.6 46.0 -60.9 -48.8 18.0 -15.9 0.9 78 185 A I H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 6,-0.2 0.932 114.2 49.9 -60.5 -43.6 14.6 -14.6 -0.0 79 186 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.9 -5,-0.2 3,-0.9 0.937 112.4 46.2 -58.4 -51.0 15.6 -14.3 -3.7 80 187 A Q H ><5S+ 0 0 130 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.911 110.2 51.7 -63.6 -45.5 17.1 -17.9 -3.8 81 188 A N H 3<5S+ 0 0 63 -4,-2.6 -1,-0.3 135,-0.3 -2,-0.2 0.615 108.7 53.9 -67.0 -12.2 14.1 -19.5 -2.1 82 189 A R T <<5S- 0 0 49 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.132 123.3-104.8-106.3 18.4 11.9 -17.7 -4.7 83 190 A G T < 5S+ 0 0 70 -3,-1.9 -3,-0.2 1,-0.2 2,-0.1 0.595 80.7 128.7 73.5 12.2 13.8 -19.1 -7.6 84 191 A L < - 0 0 40 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.473 69.1-100.8 -96.1 167.0 15.6 -15.8 -8.3 85 192 A D > - 0 0 86 1,-0.2 4,-2.4 -2,-0.1 3,-0.2 -0.807 27.2-154.1 -89.1 114.4 19.3 -14.9 -8.7 86 193 A P H > S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.836 91.3 52.6 -60.6 -35.4 20.4 -13.5 -5.4 87 194 A D H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.913 111.3 44.9 -67.1 -43.0 23.2 -11.4 -7.0 88 195 A E H > S+ 0 0 93 -3,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.927 111.8 53.1 -67.5 -41.9 21.0 -9.8 -9.6 89 196 A V H >< S+ 0 0 5 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.927 110.5 47.1 -59.4 -46.9 18.3 -9.0 -6.9 90 197 A L H >< S+ 0 0 29 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.844 105.1 60.7 -61.2 -36.0 20.9 -7.3 -4.7 91 198 A K H 3< S+ 0 0 139 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.730 101.1 54.5 -65.5 -22.5 22.3 -5.3 -7.6 92 199 A H T << S+ 0 0 50 -4,-1.0 -31,-2.7 -3,-0.8 2,-0.6 0.210 88.7 86.9-103.0 16.4 18.9 -3.6 -8.1 93 200 A I E < -e 61 0B 13 -3,-1.5 2,-0.5 -33,-0.2 -31,-0.2 -0.954 68.0-154.5-110.7 105.2 18.6 -2.4 -4.6 94 201 A A E -e 62 0B 19 -33,-3.0 -31,-2.9 -2,-0.6 2,-0.4 -0.713 17.5-153.6 -78.5 127.3 20.2 1.0 -4.2 95 202 A Y E +e 63 0B 94 -2,-0.5 2,-0.4 -33,-0.2 -31,-0.2 -0.871 20.3 173.4-111.7 134.8 21.2 1.4 -0.6 96 203 A A E -e 64 0B 11 -33,-2.7 -31,-2.6 -2,-0.4 2,-0.4 -0.977 20.6-146.0-138.1 127.8 21.7 4.5 1.5 97 204 A R E -e 65 0B 62 -2,-0.4 2,-0.6 -33,-0.2 -31,-0.2 -0.742 13.8-148.5 -82.2 132.0 22.4 4.8 5.2 98 205 A A - 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