==== 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 4B35 . 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) . 10626.0 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 . 66 30.0 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 2 1 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, 0.0 168,-0.1 0.000 360.0 360.0 360.0 148.2 -0.4 6.0 -15.0 2 109 A T - 0 0 128 1,-0.1 2,-0.2 167,-0.0 21,-0.0 -0.351 360.0 -95.1 -62.8 145.7 -2.7 3.2 -13.6 3 110 A I - 0 0 62 21,-0.1 2,-0.3 19,-0.0 -1,-0.1 -0.445 41.8-154.1 -65.2 131.0 -1.9 2.3 -10.0 4 111 A G - 0 0 14 -2,-0.2 19,-2.6 -3,-0.1 2,-0.4 -0.747 3.3-148.0-103.1 156.3 0.4 -0.7 -9.8 5 112 A R E -A 22 0A 96 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.972 2.9-150.2-127.7 142.5 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 -0.947 25.3-122.7-108.7 125.0 3.4 -5.2 -5.5 7 114 A S - 0 0 18 48,-2.9 13,-0.1 -2,-0.5 40,-0.1 -0.404 7.4-148.8 -64.0 138.9 2.6 -8.5 -3.8 8 115 A T - 0 0 0 2,-0.3 211,-0.3 -2,-0.1 -1,-0.1 0.521 46.5-107.1 -78.2 -10.4 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 0.015 96.9 95.5 98.8 -25.3 4.3 -12.5 -0.7 10 117 A S > - 0 0 0 210,-0.3 4,-2.9 1,-0.1 -2,-0.3 -0.887 59.8-159.4-103.9 120.3 1.2 -13.3 1.4 11 118 A K H > S+ 0 0 166 -2,-0.6 4,-2.3 2,-0.2 -1,-0.1 0.872 97.0 52.8 -58.7 -39.9 -2.1 -13.8 -0.4 12 119 A S H > S+ 0 0 31 2,-0.2 4,-1.9 199,-0.2 -1,-0.2 0.947 113.0 42.2 -59.9 -51.0 -3.9 -13.0 2.9 13 120 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.910 112.9 53.7 -65.8 -41.1 -2.1 -9.7 3.3 14 121 A D H X>S+ 0 0 22 -4,-2.9 5,-3.6 1,-0.2 4,-0.5 0.915 107.2 52.2 -58.9 -42.5 -2.5 -8.9 -0.4 15 122 A K H ><5S+ 0 0 174 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.928 108.5 50.1 -60.5 -45.9 -6.2 -9.5 -0.1 16 123 A L H 3<5S+ 0 0 23 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 112.3 48.4 -58.4 -35.0 -6.5 -7.1 2.8 17 124 A L H 3<5S- 0 0 6 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.453 120.6-105.5 -88.7 -1.4 -4.5 -4.4 0.9 18 125 A G T <<5S- 0 0 41 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.710 91.0 -27.9 83.2 21.1 -6.6 -4.8 -2.3 19 126 A G S -A 5 0A 57 -2,-0.2 3,-0.6 -17,-0.2 150,-0.4 -0.659 3.9-130.7 -95.3 140.8 0.2 0.6 -4.3 23 130 A T T 3 S+ 0 0 0 -19,-2.6 148,-0.3 -2,-0.3 3,-0.1 -0.386 98.3 39.2 -67.1 161.9 2.4 2.8 -6.4 24 131 A Q T 3 S+ 0 0 60 146,-1.6 2,-0.3 141,-0.6 -1,-0.2 0.780 110.0 86.4 62.5 28.1 1.4 6.5 -6.0 25 132 A A E < S-b 171 0B 18 145,-0.7 147,-2.5 -3,-0.6 2,-0.5 -0.979 73.5-128.6-150.4 157.8 1.0 5.8 -2.3 26 133 A I E -b 172 0B 2 155,-0.4 157,-2.8 -2,-0.3 2,-0.5 -0.974 20.8-162.4-108.9 117.8 2.8 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 -0.921 7.7-162.8 -98.5 125.9 2.2 2.5 2.9 28 135 A E E -bc 174 184B 16 155,-3.0 157,-2.5 -2,-0.5 2,-0.5 -0.947 2.3-164.5-119.0 115.4 3.2 2.9 6.5 29 136 A V E -bc 175 185B 1 145,-2.7 147,-2.1 -2,-0.5 2,-0.3 -0.905 2.9-163.4-112.0 121.9 3.7 -0.2 8.6 30 137 A F E +bc 176 186B 17 155,-3.0 157,-3.0 -2,-0.5 2,-0.3 -0.735 22.7 137.4-101.7 145.6 3.8 -0.1 12.4 31 138 A G - 0 0 7 145,-1.3 157,-0.1 -2,-0.3 3,-0.1 -0.865 43.7-114.4 178.9 152.1 5.2 -2.8 14.7 32 139 A E > - 0 0 161 155,-0.4 3,-2.0 -2,-0.3 5,-0.3 -0.229 68.4 -52.2 -80.2 177.2 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 -0.264 130.6 14.8 -56.7 129.8 10.5 -5.4 17.7 34 141 A G T 3 S+ 0 0 47 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.551 85.9 127.6 83.8 9.4 10.0 -8.7 15.8 35 142 A S S < S- 0 0 4 -3,-2.0 153,-0.2 152,-0.1 -2,-0.1 0.730 79.0-111.9 -68.8 -25.7 6.7 -7.7 14.3 36 143 A G S > S+ 0 0 6 -4,-0.2 4,-2.6 151,-0.1 5,-0.2 0.349 81.2 122.6 108.0 -3.6 7.7 -8.5 10.8 37 144 A K H > S+ 0 0 28 -5,-0.3 4,-1.9 1,-0.2 5,-0.1 0.882 79.8 42.0 -64.4 -38.4 7.8 -5.0 9.4 38 145 A T H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.859 113.0 54.3 -76.1 -32.4 11.4 -5.1 8.3 39 146 A Q H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 180,-0.3 0.899 108.0 50.8 -64.0 -39.1 10.9 -8.7 7.0 40 147 A L H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.923 108.5 52.0 -63.4 -43.9 8.0 -7.3 4.9 41 148 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.934 110.1 48.0 -55.7 -46.9 10.3 -4.6 3.6 42 149 A H H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.898 112.0 49.9 -63.1 -39.7 12.9 -7.2 2.6 43 150 A T H >X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 3,-1.1 0.937 109.0 50.9 -65.3 -45.7 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 0.858 102.6 60.9 -59.9 -35.6 8.9 -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 0.728 113.7 37.2 -67.2 -21.9 12.4 -5.5 -2.3 46 153 A V H X< S+ 0 0 0 -3,-1.1 3,-1.6 -4,-0.8 4,-0.3 0.862 114.6 53.2 -88.2 -50.7 12.5 -8.9 -4.0 47 154 A M H >< S+ 0 0 7 -4,-3.0 3,-2.2 1,-0.3 11,-0.3 0.869 99.8 61.6 -54.4 -41.7 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 0.745 95.8 62.8 -61.7 -21.0 8.9 -5.8 -7.0 49 156 A Q T < S+ 0 0 20 -3,-1.6 -1,-0.3 9,-0.2 -2,-0.2 0.590 88.9 89.6 -81.0 -8.8 11.7 -7.1 -9.3 50 157 A L S < S- 0 0 13 -3,-2.2 8,-3.0 -4,-0.3 9,-0.3 -0.371 89.1 -95.7 -81.2 162.9 9.4 -9.9 -10.6 51 158 A P > > - 0 0 33 0, 0.0 5,-2.1 0, 0.0 3,-1.9 -0.385 41.7-101.9 -70.9 160.1 7.1 -9.5 -13.6 52 159 A P G > 5S+ 0 0 74 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 0.833 121.4 62.4 -52.6 -37.6 3.4 -8.6 -12.9 53 160 A E G 3 5S+ 0 0 168 1,-0.3 4,-0.0 2,-0.1 -3,-0.0 0.744 108.8 43.0 -62.6 -22.4 2.3 -12.2 -13.5 54 161 A E G < 5S- 0 0 113 -3,-1.9 -1,-0.3 -7,-0.1 -4,-0.1 0.321 131.3 -91.3-106.3 6.0 4.5 -13.1 -10.5 55 162 A G T < 5S+ 0 0 19 -3,-1.6 -48,-2.9 -4,-0.3 -2,-0.1 0.504 91.5 100.1 103.4 6.9 3.4 -10.1 -8.3 56 163 A G < - 0 0 1 -5,-2.1 -1,-0.3 -50,-0.2 -8,-0.2 -0.353 67.2-131.2-112.1-167.4 6.0 -7.6 -9.2 57 164 A L - 0 0 38 -9,-2.0 -8,-0.1 -10,-0.1 3,-0.1 0.021 49.2-108.8-134.9 25.7 6.5 -4.5 -11.5 58 165 A N S S+ 0 0 75 -8,-3.0 -9,-0.2 -11,-0.3 2,-0.2 0.910 76.1 146.1 43.9 47.8 9.8 -5.3 -13.2 59 166 A G - 0 0 0 -11,-2.3 66,-0.2 -9,-0.3 2,-0.2 -0.666 51.1-124.7-117.0 168.5 11.2 -2.6 -11.0 60 167 A S E -d 125 0B 5 64,-2.7 66,-2.7 -2,-0.2 67,-1.3 -0.590 28.1-131.5 -96.9 169.2 14.3 -1.4 -9.1 61 168 A V E -de 127 93B 1 31,-2.8 33,-3.1 -2,-0.2 2,-0.4 -0.920 11.4-160.8-126.8 146.3 14.5 -0.5 -5.5 62 169 A M E -de 128 94B 24 65,-2.3 67,-2.8 -2,-0.3 2,-0.5 -1.000 17.7-166.9-122.7 132.8 15.9 2.4 -3.4 63 170 A W E -de 129 95B 1 31,-3.1 33,-2.8 -2,-0.4 2,-0.6 -0.970 11.9-168.1-129.5 116.1 16.4 1.7 0.3 64 171 A I E -de 130 96B 5 65,-2.9 67,-2.7 -2,-0.5 2,-0.5 -0.934 12.5-166.0-105.4 119.3 17.1 4.2 3.0 65 172 A D E +de 131 97B 1 31,-2.6 33,-2.5 -2,-0.6 67,-0.3 -0.921 14.9 176.6-112.8 119.0 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 0.702 81.2 27.2 -96.2 -21.0 18.1 4.6 9.5 67 174 A E S S- 0 0 117 64,-0.6 -1,-0.1 68,-0.0 65,-0.1 0.077 109.9 -98.1-134.1 25.2 19.1 2.0 12.1 68 175 A N S S+ 0 0 88 63,-0.1 29,-0.0 1,-0.1 -3,-0.0 0.948 77.7 133.9 59.0 53.1 21.2 -0.6 10.2 69 176 A T + 0 0 39 62,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.443 32.3 108.4-111.4 -2.3 18.4 -3.1 9.7 70 177 A F - 0 0 25 61,-0.1 -5,-0.0 -7,-0.0 -32,-0.0 -0.623 49.6-166.6 -75.4 130.4 19.0 -4.0 6.0 71 178 A R >> - 0 0 133 -2,-0.4 4,-1.8 1,-0.1 3,-1.0 -0.896 13.8-169.8-123.8 100.2 20.4 -7.5 5.6 72 179 A P H 3> S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.877 90.9 58.0 -57.1 -36.5 21.9 -8.3 2.2 73 180 A E H 3> S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.837 103.9 52.0 -64.3 -29.1 22.1 -11.9 3.2 74 181 A R H <> S+ 0 0 32 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.883 107.2 52.5 -72.4 -39.7 18.3 -12.0 3.9 75 182 A I H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.946 109.9 49.2 -54.4 -50.0 17.7 -10.5 0.4 76 183 A R H X S+ 0 0 80 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.923 111.4 49.4 -58.6 -45.8 19.8 -13.3 -1.1 77 184 A E H X S+ 0 0 83 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.945 113.6 44.3 -60.1 -47.9 17.9 -15.9 0.9 78 185 A I H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 6,-0.2 0.929 114.5 51.0 -63.8 -42.9 14.5 -14.6 -0.1 79 186 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.6 -5,-0.2 3,-0.8 0.935 113.9 42.6 -57.3 -50.7 15.6 -14.2 -3.8 80 187 A Q H ><5S+ 0 0 135 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.892 110.2 54.9 -70.1 -41.1 17.0 -17.8 -4.0 81 188 A N H 3<5S+ 0 0 66 -4,-2.6 -1,-0.3 135,-0.3 -2,-0.2 0.631 110.7 49.2 -66.0 -12.7 14.1 -19.4 -2.2 82 189 A R T <<5S- 0 0 52 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.166 122.9-104.9-109.9 14.5 11.9 -17.7 -4.8 83 190 A G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 1,-0.2 2,-0.1 0.475 79.6 123.3 81.8 3.2 13.9 -18.9 -7.8 84 191 A L S - 0 0 85 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.792 28.6-150.5 -86.9 118.5 19.4 -14.8 -8.8 86 193 A P H > S+ 0 0 20 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.829 94.3 49.9 -61.5 -34.9 20.5 -13.5 -5.5 87 194 A D H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.909 112.4 46.0 -71.0 -43.1 23.3 -11.4 -7.0 88 195 A E H > S+ 0 0 90 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.940 111.2 52.8 -63.0 -47.2 21.1 -9.8 -9.6 89 196 A V H >< S+ 0 0 5 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.909 111.1 47.0 -55.9 -45.5 18.4 -9.0 -7.0 90 197 A L H >< S+ 0 0 30 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.839 104.7 60.5 -64.1 -36.7 20.9 -7.3 -4.7 91 198 A K H 3< S+ 0 0 138 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.741 101.7 55.0 -64.1 -22.9 22.4 -5.2 -7.6 92 199 A H T << S+ 0 0 43 -4,-1.0 -31,-2.8 -3,-0.7 2,-0.6 0.253 88.3 86.1-100.8 13.0 19.0 -3.7 -8.2 93 200 A I E < -e 61 0B 13 -3,-1.6 2,-0.7 -33,-0.2 -31,-0.2 -0.954 69.0-153.2-108.5 108.3 18.6 -2.4 -4.6 94 201 A A E -e 62 0B 30 -33,-3.1 -31,-3.1 -2,-0.6 2,-0.4 -0.761 18.9-153.8 -83.0 116.2 20.2 1.0 -4.3 95 202 A Y E +e 63 0B 100 -2,-0.7 2,-0.4 -33,-0.2 -31,-0.2 -0.759 19.7 174.3-100.7 134.7 21.2 1.2 -0.6 96 203 A A E -e 64 0B 27 -33,-2.8 -31,-2.6 -2,-0.4 2,-0.5 -0.985 20.5-146.6-137.5 130.0 21.7 4.4 1.4 97 204 A R E -e 65 0B 61 -2,-0.4 2,-0.6 -33,-0.2 -31,-0.2 -0.793 13.7-149.6 -86.3 130.5 22.4 4.7 5.1 98 205 A A - 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