==== 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 4B2I . 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) . 10648.0 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 . 20 9.1 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 1 0 0 0 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 2,-0.1 0.000 360.0 360.0 360.0 149.8 -0.4 5.9 -15.0 2 109 A T - 0 0 132 1,-0.1 2,-0.2 167,-0.0 21,-0.0 -0.400 360.0 -97.2 -61.9 142.3 -2.6 3.1 -13.7 3 110 A I - 0 0 64 -2,-0.1 2,-0.3 21,-0.1 -1,-0.1 -0.445 42.2-154.4 -61.1 129.8 -1.9 2.2 -10.1 4 111 A G - 0 0 15 -2,-0.2 19,-2.7 -3,-0.1 2,-0.4 -0.757 2.8-148.0-104.0 155.5 0.4 -0.8 -9.9 5 112 A R E -A 22 0A 96 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.977 2.6-149.9-128.0 141.4 0.5 -3.2 -6.9 6 113 A I E -A 21 0A 0 15,-2.3 15,-2.2 -2,-0.4 50,-0.2 -0.939 25.3-122.2-107.5 125.4 3.4 -5.2 -5.5 7 114 A S - 0 0 17 48,-3.0 13,-0.1 -2,-0.5 40,-0.1 -0.409 7.1-148.5 -63.5 139.7 2.6 -8.5 -3.8 8 115 A T - 0 0 0 2,-0.4 211,-0.3 -2,-0.1 -1,-0.1 0.515 46.5-107.7 -79.4 -9.0 3.7 -8.8 -0.2 9 116 A G S S+ 0 0 14 1,-0.2 2,-0.6 209,-0.1 212,-0.5 0.038 96.7 96.3 97.1 -23.3 4.2 -12.5 -0.7 10 117 A S > - 0 0 0 210,-0.3 4,-2.9 1,-0.1 -2,-0.4 -0.892 60.1-159.3-104.6 120.3 1.1 -13.3 1.4 11 118 A K H > S+ 0 0 164 -2,-0.6 4,-2.3 2,-0.2 -1,-0.1 0.883 96.7 52.1 -60.6 -39.2 -2.2 -13.9 -0.3 12 119 A S H > S+ 0 0 33 2,-0.2 4,-2.1 199,-0.2 -1,-0.2 0.945 113.0 42.8 -61.3 -50.4 -4.0 -13.0 2.9 13 120 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 6,-0.2 0.912 112.8 53.6 -65.6 -40.5 -2.2 -9.7 3.3 14 121 A D H <>S+ 0 0 22 -4,-2.9 5,-3.5 1,-0.2 6,-0.5 0.919 107.8 50.9 -58.1 -43.4 -2.5 -8.9 -0.4 15 122 A K H ><5S+ 0 0 175 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.930 108.8 51.2 -62.3 -43.8 -6.3 -9.5 -0.2 16 123 A L H 3<5S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.847 112.1 47.7 -58.8 -35.0 -6.5 -7.1 2.8 17 124 A L T 3<5S- 0 0 8 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.402 121.3-104.3 -91.3 2.6 -4.6 -4.4 0.9 18 125 A G T < 5S- 0 0 40 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.710 91.3 -28.3 81.0 20.9 -6.7 -4.8 -2.3 19 126 A G S -A 5 0A 57 -17,-0.2 3,-0.6 -2,-0.2 150,-0.4 -0.650 3.6-130.5 -96.5 142.0 0.2 0.5 -4.3 23 130 A T T 3 S+ 0 0 0 -19,-2.7 148,-0.3 -2,-0.3 3,-0.1 -0.407 98.0 38.5 -68.6 162.0 2.3 2.8 -6.4 24 131 A Q T 3 S+ 0 0 59 146,-1.8 2,-0.3 141,-0.6 -1,-0.2 0.794 110.2 86.3 62.5 28.9 1.4 6.5 -6.1 25 132 A A E < S-b 171 0B 17 145,-0.8 147,-2.4 -3,-0.6 2,-0.5 -0.977 73.6-129.2-150.7 155.7 0.9 5.8 -2.4 26 133 A I E -b 172 0B 1 155,-0.4 157,-2.7 -2,-0.3 2,-0.5 -0.977 20.6-162.0-106.3 120.7 2.8 5.7 0.9 27 134 A T E -bc 173 183B 2 145,-2.7 147,-2.8 -2,-0.5 2,-0.6 -0.925 7.3-162.3 -99.9 126.0 2.2 2.5 2.9 28 135 A E E -bc 174 184B 17 155,-3.0 157,-2.4 -2,-0.5 2,-0.5 -0.947 2.6-164.6-118.4 114.6 3.2 2.9 6.5 29 136 A V E -bc 175 185B 1 145,-2.7 147,-2.2 -2,-0.6 2,-0.3 -0.896 3.5-163.6-110.7 123.1 3.7 -0.3 8.6 30 137 A F E +bc 176 186B 19 155,-2.9 157,-3.0 -2,-0.5 2,-0.3 -0.769 22.9 136.3-103.5 144.3 3.8 -0.1 12.4 31 138 A G - 0 0 6 145,-1.4 3,-0.1 -2,-0.3 157,-0.1 -0.901 42.8-112.7 179.5 156.9 5.1 -2.8 14.7 32 139 A E > - 0 0 158 155,-0.4 3,-2.3 -2,-0.3 5,-0.3 -0.198 68.0 -48.0 -85.3-179.8 7.2 -3.5 17.8 33 140 A F T 3 S+ 0 0 176 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.279 132.0 10.0 -54.4 123.9 10.5 -5.4 17.8 34 141 A G T 3 S+ 0 0 47 -3,-0.1 -1,-0.3 154,-0.0 -2,-0.1 0.577 86.0 130.4 82.7 12.1 10.1 -8.6 15.8 35 142 A S S < S- 0 0 5 -3,-2.3 153,-0.2 152,-0.1 -2,-0.1 0.775 76.8-112.1 -65.5 -31.0 6.7 -7.6 14.4 36 143 A G S > S+ 0 0 6 -4,-0.3 4,-2.4 151,-0.1 5,-0.2 0.391 80.9 122.9 112.1 0.2 7.7 -8.5 10.8 37 144 A K H > S+ 0 0 31 -5,-0.3 4,-1.8 1,-0.2 -8,-0.1 0.869 80.3 42.6 -67.3 -37.1 7.7 -5.0 9.4 38 145 A T H > S+ 0 0 24 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.853 112.1 54.7 -76.2 -33.2 11.4 -5.1 8.3 39 146 A Q H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.892 108.2 50.4 -61.8 -38.3 10.9 -8.7 7.0 40 147 A L H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.920 108.6 51.9 -65.0 -43.1 8.0 -7.3 4.9 41 148 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.934 110.3 47.9 -56.5 -48.8 10.3 -4.6 3.6 42 149 A H H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.894 112.4 49.6 -60.1 -41.2 12.9 -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 0.935 109.4 50.4 -64.8 -45.6 10.3 -9.3 0.9 44 151 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.849 102.9 61.0 -60.9 -35.4 8.8 -6.4 -1.1 45 152 A A H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.741 113.7 37.0 -66.5 -22.7 12.3 -5.5 -2.3 46 153 A V H X< S+ 0 0 0 -3,-1.1 3,-1.5 -4,-0.7 4,-0.4 0.866 114.8 53.3 -87.3 -51.7 12.5 -8.9 -3.9 47 154 A M H >< S+ 0 0 6 -4,-3.1 3,-2.1 1,-0.3 11,-0.3 0.856 99.6 61.6 -54.5 -41.2 8.9 -9.2 -5.1 48 155 A V T 3< S+ 0 0 0 -4,-2.5 11,-2.3 1,-0.3 9,-2.0 0.758 95.8 62.6 -62.9 -22.5 8.9 -5.8 -6.9 49 156 A Q T < S+ 0 0 23 -3,-1.5 -1,-0.3 9,-0.2 -2,-0.2 0.601 89.1 89.8 -77.6 -11.1 11.6 -7.2 -9.3 50 157 A L S < S- 0 0 14 -3,-2.1 8,-3.0 -4,-0.4 9,-0.3 -0.352 88.7 -95.0 -79.5 162.7 9.3 -9.9 -10.6 51 158 A P > > - 0 0 35 0, 0.0 5,-2.0 0, 0.0 3,-1.9 -0.389 41.5-102.7 -69.0 158.9 7.0 -9.6 -13.6 52 159 A P G > 5S+ 0 0 75 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 0.833 121.6 61.9 -51.9 -39.7 3.3 -8.6 -12.9 53 160 A E G 3 5S+ 0 0 169 1,-0.3 4,-0.0 2,-0.1 -3,-0.0 0.736 109.1 43.2 -61.1 -21.9 2.2 -12.2 -13.5 54 161 A E G < 5S- 0 0 112 -3,-1.9 -1,-0.3 -7,-0.1 -4,-0.1 0.342 130.2 -92.5-106.2 3.6 4.4 -13.1 -10.5 55 162 A G T < 5S+ 0 0 19 -3,-1.6 -48,-3.0 -4,-0.3 2,-0.1 0.504 91.1 98.3 103.2 6.2 3.4 -10.2 -8.3 56 163 A G < - 0 0 1 -5,-2.0 -1,-0.3 -50,-0.2 -8,-0.2 -0.388 68.0-129.4-113.6-168.1 6.0 -7.6 -9.2 57 164 A L - 0 0 38 -9,-2.0 -8,-0.1 -2,-0.1 3,-0.1 0.022 49.4-106.6-133.4 25.2 6.4 -4.5 -11.4 58 165 A N S S+ 0 0 78 -8,-3.0 -9,-0.2 -11,-0.3 2,-0.2 0.894 76.6 148.9 49.9 43.7 9.7 -5.3 -13.2 59 166 A G - 0 0 0 -11,-2.3 66,-0.2 -9,-0.3 2,-0.2 -0.616 51.2-126.1-115.5 166.6 11.2 -2.6 -11.0 60 167 A S E -d 125 0B 6 64,-2.7 66,-2.8 -2,-0.2 67,-1.3 -0.601 28.6-134.5 -95.3 166.7 14.3 -1.4 -9.1 61 168 A V E -de 127 93B 1 31,-2.7 33,-3.0 -2,-0.2 2,-0.4 -0.919 11.6-162.0-126.1 146.0 14.4 -0.5 -5.4 62 169 A M E -de 128 94B 22 65,-2.3 67,-2.8 -2,-0.3 2,-0.5 -1.000 16.3-167.0-124.9 134.4 15.8 2.3 -3.4 63 170 A W E -de 129 95B 2 31,-2.9 33,-2.6 -2,-0.4 2,-0.6 -0.976 11.7-166.5-130.2 117.8 16.3 1.7 0.3 64 171 A I E -de 130 96B 7 65,-2.9 67,-2.6 -2,-0.5 2,-0.5 -0.933 12.9-165.1-105.9 120.5 17.0 4.3 3.1 65 172 A D E +de 131 97B 1 31,-2.5 33,-2.7 -2,-0.6 67,-0.3 -0.919 13.9 180.0-112.4 120.7 18.1 2.6 6.3 66 173 A T S S+ 0 0 1 65,-2.3 66,-0.2 -2,-0.5 -1,-0.1 0.714 81.5 21.1 -96.7 -23.8 18.1 4.7 9.5 67 174 A E S S- 0 0 104 64,-0.6 -1,-0.1 68,-0.0 65,-0.1 0.008 110.1 -93.0-140.7 40.9 19.3 2.1 12.0 68 175 A N S S+ 0 0 88 63,-0.1 29,-0.0 1,-0.1 -3,-0.0 0.913 78.1 131.9 61.5 51.2 21.1 -0.7 10.3 69 176 A T + 0 0 36 62,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.473 34.9 107.9-111.1 -4.7 18.3 -3.1 9.7 70 177 A F - 0 0 25 61,-0.1 -5,-0.0 1,-0.0 -32,-0.0 -0.608 49.9-167.5 -74.9 129.9 18.9 -3.9 6.1 71 178 A R >> - 0 0 132 -2,-0.4 4,-1.8 1,-0.1 3,-0.9 -0.903 14.6-169.4-123.5 101.5 20.4 -7.4 5.6 72 179 A P H 3> S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.864 91.1 58.0 -58.1 -35.4 21.8 -8.3 2.2 73 180 A E H 3> S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.833 104.0 52.0 -64.7 -29.6 22.1 -11.9 3.2 74 181 A R H <> S+ 0 0 33 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.887 107.8 51.3 -71.8 -39.9 18.3 -11.9 3.9 75 182 A I H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.946 110.4 49.5 -56.1 -48.9 17.7 -10.5 0.5 76 183 A R H X S+ 0 0 81 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.912 111.6 49.1 -58.6 -44.8 19.8 -13.3 -1.1 77 184 A E H X S+ 0 0 81 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.932 113.1 45.1 -62.4 -47.1 18.0 -15.9 0.9 78 185 A I H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 6,-0.2 0.934 114.1 50.6 -62.5 -44.6 14.5 -14.6 -0.1 79 186 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.9 -5,-0.2 3,-0.6 0.931 113.4 44.3 -57.3 -49.2 15.6 -14.3 -3.7 80 187 A Q H ><5S+ 0 0 132 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.897 109.9 53.9 -67.4 -42.4 17.0 -17.8 -3.9 81 188 A N H 3<5S+ 0 0 63 -4,-2.5 -1,-0.2 135,-0.3 -2,-0.2 0.668 106.6 54.4 -66.5 -16.8 14.1 -19.5 -2.1 82 189 A R T <<5S- 0 0 49 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.081 125.7-102.8-102.0 21.3 11.8 -17.8 -4.7 83 190 A G T < 5S+ 0 0 73 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.654 82.2 128.9 71.1 18.4 13.8 -19.4 -7.5 84 191 A L < - 0 0 39 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.500 68.1 -99.2-102.8 169.9 15.6 -16.1 -8.3 85 192 A D > - 0 0 86 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.810 27.5-155.4 -92.2 114.5 19.2 -15.1 -8.7 86 193 A P H > S+ 0 0 21 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.817 89.3 51.7 -62.6 -35.1 20.5 -13.5 -5.4 87 194 A D H > S+ 0 0 77 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.916 111.2 46.0 -69.2 -43.5 23.2 -11.4 -7.0 88 195 A E H > S+ 0 0 94 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.921 111.2 53.4 -64.1 -43.2 21.0 -9.8 -9.6 89 196 A V H >< S+ 0 0 8 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.937 110.7 46.4 -57.9 -47.1 18.3 -9.1 -7.0 90 197 A L H >< S+ 0 0 29 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.860 104.6 61.6 -62.4 -38.6 20.8 -7.3 -4.7 91 198 A K H 3< S+ 0 0 138 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.765 101.0 54.5 -59.7 -26.6 22.3 -5.3 -7.6 92 199 A H T << S+ 0 0 42 -4,-1.0 -31,-2.7 -3,-0.8 2,-0.6 0.193 88.5 86.6-101.2 17.9 18.9 -3.7 -8.2 93 200 A I E < -e 61 0B 14 -3,-1.7 2,-0.5 -33,-0.2 -31,-0.2 -0.962 67.3-155.1-111.9 108.5 18.5 -2.4 -4.6 94 201 A A E -e 62 0B 26 -33,-3.0 -31,-2.9 -2,-0.6 2,-0.4 -0.766 17.8-155.5 -82.6 126.2 20.2 1.0 -4.3 95 202 A Y E +e 63 0B 101 -2,-0.5 2,-0.4 -33,-0.2 -31,-0.2 -0.859 19.3 174.8-111.3 136.6 21.1 1.4 -0.6 96 203 A A E -e 64 0B 27 -33,-2.6 -31,-2.5 -2,-0.4 2,-0.4 -0.977 20.9-144.8-139.2 128.6 21.7 4.5 1.5 97 204 A R E -e 65 0B 61 -2,-0.4 2,-0.6 -33,-0.2 -31,-0.2 -0.748 14.8-148.1 -82.2 131.1 22.3 4.8 5.2 98 205 A A - 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