==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 15-FEB-01 1I3J . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.VAN ROEY,C.A.WADDLING,K.M.FOX,M.BELFORT,V.DERBYSHIRE . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 53.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 10.4 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 149 A K 0 0 116 0, 0.0 8,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.2 26.3 19.0 54.8 2 150 A F B -A 8 0A 136 6,-0.3 6,-0.2 9,-0.1 2,-0.1 -0.930 360.0-131.4-119.5 142.1 22.6 19.9 54.3 3 151 A C > - 0 0 6 4,-3.0 3,-2.0 -2,-0.4 12,-0.1 -0.459 36.2-104.9 -79.3 159.9 20.3 19.4 51.4 4 152 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.1 11,-0.1 0.818 122.9 59.2 -54.0 -32.0 18.2 22.3 50.2 5 153 A C T 3 S- 0 0 70 2,-0.1 -1,-0.3 1,-0.0 10,-0.0 0.661 122.2-104.7 -72.9 -18.8 15.2 20.5 51.9 6 154 A G S < S+ 0 0 48 -3,-2.0 -2,-0.1 1,-0.4 -1,-0.0 0.166 79.0 117.6 117.4 -22.4 16.9 20.5 55.2 7 155 A V - 0 0 74 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.297 68.2-100.5 -77.1 164.0 18.1 17.0 55.9 8 156 A R B +A 2 0A 206 -6,-0.2 2,-0.3 -2,-0.0 -6,-0.3 -0.585 43.0 175.8 -81.5 148.3 21.8 16.0 56.3 9 157 A I - 0 0 26 -8,-2.5 7,-0.1 -2,-0.2 2,-0.0 -0.940 38.8 -84.7-145.3 161.4 23.7 14.5 53.4 10 158 A Q > - 0 0 144 -2,-0.3 3,-1.8 5,-0.1 5,-0.0 -0.357 40.2-116.8 -65.3 152.1 27.3 13.4 52.7 11 159 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -10,-0.0 -9,-0.1 0.694 115.3 62.0 -64.7 -16.5 29.6 16.2 51.6 12 160 A S T 3 S+ 0 0 84 -11,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.579 91.6 84.0 -84.6 -11.5 30.0 14.3 48.3 13 161 A A < - 0 0 29 -3,-1.8 3,-0.1 1,-0.1 -4,-0.1 -0.615 62.7-155.4 -93.5 153.9 26.3 14.6 47.5 14 162 A Y S S- 0 0 205 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.701 79.6 -9.2 -95.4 -27.2 24.5 17.5 45.9 15 163 A T S S- 0 0 31 -12,-0.1 -1,-0.3 -11,-0.1 -5,-0.1 -0.930 83.1 -82.7-156.2 176.2 21.1 16.7 47.4 16 164 A C > - 0 0 20 -2,-0.3 4,-0.7 -3,-0.1 3,-0.1 -0.418 51.9-102.4 -80.1 167.2 19.3 14.0 49.4 17 165 A S T >4 S+ 0 0 94 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.884 121.2 52.8 -59.0 -39.9 18.0 11.1 47.3 18 166 A K T 34 S+ 0 0 196 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.886 109.8 47.7 -64.8 -37.6 14.4 12.5 47.4 19 167 A C T 34 S+ 0 0 44 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.494 80.1 120.2 -83.6 -5.6 15.4 15.9 46.1 20 168 A R << - 0 0 119 -4,-0.7 2,-0.6 -3,-0.7 -3,-0.0 -0.379 64.5-128.0 -62.6 133.4 17.5 14.8 43.2 21 169 A N + 0 0 90 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.765 43.2 154.3 -87.1 122.6 16.1 16.1 39.9 22 170 A R + 0 0 120 -2,-0.6 2,-0.2 5,-0.1 -1,-0.1 0.202 35.9 111.0-129.5 12.0 15.7 13.2 37.3 23 171 A S S > S- 0 0 79 3,-0.1 3,-2.4 4,-0.1 4,-0.2 -0.577 82.0 -26.5 -93.7 154.3 12.9 14.6 35.1 24 172 A G G > S+ 0 0 51 1,-0.3 3,-2.1 -2,-0.2 6,-0.2 -0.126 135.4 4.0 48.4-133.2 13.3 15.7 31.5 25 173 A E G 3 S+ 0 0 149 1,-0.3 -1,-0.3 4,-0.1 5,-0.1 0.588 126.8 65.5 -59.2 -12.7 16.8 16.8 30.7 26 174 A N G < S+ 0 0 79 -3,-2.4 -1,-0.3 3,-0.0 -2,-0.2 0.595 75.2 110.0 -88.3 -9.3 18.1 15.9 34.2 27 175 A N S X S- 0 0 74 -3,-2.1 3,-0.9 -4,-0.2 -4,-0.1 -0.325 74.0-128.4 -66.2 148.1 17.5 12.2 33.8 28 176 A S T 3 S+ 0 0 85 1,-0.2 -1,-0.1 -6,-0.1 -3,-0.0 0.653 110.9 40.7 -70.2 -17.2 20.6 9.9 33.5 29 177 A F T > S+ 0 0 86 3,-0.1 3,-1.9 2,-0.0 -1,-0.2 0.306 83.3 138.2-113.1 7.4 19.2 8.4 30.3 30 178 A F T < S+ 0 0 89 -3,-0.9 3,-0.1 1,-0.3 -5,-0.1 -0.270 77.3 3.5 -57.0 133.8 17.8 11.5 28.8 31 179 A N T 3 S+ 0 0 132 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.646 100.1 128.4 63.3 16.6 18.5 11.8 25.0 32 180 A H < - 0 0 109 -3,-1.9 2,-0.4 0, 0.0 -1,-0.2 -0.589 50.6-139.2 -93.4 165.2 20.1 8.3 24.9 33 181 A K - 0 0 186 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.0 -0.959 13.2-123.1-125.4 142.2 18.9 5.7 22.4 34 182 A H - 0 0 91 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.658 31.5-116.8 -83.6 142.9 18.5 2.0 23.1 35 183 A S > - 0 0 60 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.227 25.0-108.7 -70.5 165.4 20.5 -0.4 20.9 36 184 A D H > S+ 0 0 128 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.850 122.3 59.0 -63.0 -31.4 18.7 -2.8 18.5 37 185 A I H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.909 105.5 45.5 -64.8 -42.3 19.9 -5.4 21.0 38 186 A T H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.936 109.8 54.7 -66.7 -45.1 18.1 -3.9 24.0 39 187 A K H X S+ 0 0 119 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.848 108.2 50.6 -57.1 -34.4 14.9 -3.4 21.9 40 188 A S H X S+ 0 0 73 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.883 107.2 52.1 -72.6 -38.6 15.0 -7.1 21.1 41 189 A K H X S+ 0 0 140 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.891 112.9 45.7 -63.6 -38.1 15.4 -8.1 24.7 42 190 A I H X S+ 0 0 85 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.910 110.3 55.6 -69.4 -40.8 12.4 -6.0 25.6 43 191 A S H X S+ 0 0 50 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.870 107.5 47.3 -58.5 -42.6 10.5 -7.4 22.7 44 192 A E H < S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 111.2 49.5 -71.1 -38.8 10.9 -11.1 23.7 45 193 A K H < S+ 0 0 162 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.722 115.0 45.8 -73.0 -20.4 10.0 -10.5 27.3 46 194 A M H >< S+ 0 0 102 -4,-1.3 3,-2.4 -5,-0.1 -1,-0.2 0.709 82.4 112.7 -93.6 -23.6 6.8 -8.7 26.3 47 195 A K T 3< S+ 0 0 136 -4,-1.4 3,-0.1 1,-0.3 -3,-0.0 -0.259 87.1 14.6 -53.4 129.6 5.6 -11.0 23.6 48 196 A G T 3 S+ 0 0 86 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.449 93.6 130.0 85.6 -1.5 2.4 -12.7 24.7 49 197 A K < - 0 0 126 -3,-2.4 -1,-0.3 0, 0.0 -3,-0.0 -0.766 47.6-148.0 -90.6 130.2 1.7 -10.3 27.5 50 198 A K - 0 0 103 -2,-0.5 2,-0.0 -3,-0.1 4,-0.0 -0.753 23.2-119.6 -92.4 142.8 -1.7 -8.7 27.7 51 199 A P > - 0 0 76 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.280 18.2-110.2 -80.3 169.0 -1.9 -5.2 29.2 52 200 A S T 3 S+ 0 0 126 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 0.588 107.8 70.8 -72.2 -13.9 -3.7 -3.9 32.2 53 201 A N T 3 + 0 0 127 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.139 68.7 127.3 -92.8 22.8 -6.2 -1.9 30.2 54 202 A I < - 0 0 75 -3,-0.9 2,-0.5 12,-0.1 12,-0.1 -0.447 50.5-141.5 -75.6 152.9 -8.1 -5.0 28.8 55 203 A K - 0 0 116 -2,-0.1 12,-0.2 41,-0.0 41,-0.1 -0.957 8.9-132.4-120.6 119.8 -11.9 -5.1 29.2 56 204 A K - 0 0 129 -2,-0.5 39,-2.1 39,-0.3 2,-0.3 -0.391 34.8-166.3 -63.7 144.2 -13.7 -8.4 30.0 57 205 A I E -BC 64 94B 1 7,-2.1 7,-2.5 37,-0.3 2,-0.5 -0.981 24.2-149.4-139.8 148.7 -16.7 -8.7 27.7 58 206 A S E -BC 63 93B 6 35,-2.6 35,-2.0 -2,-0.3 2,-1.2 -0.971 7.5-159.3-116.0 117.7 -19.8 -10.6 27.3 59 207 A C E > S-BC 62 92B 4 3,-3.2 3,-2.0 -2,-0.5 33,-0.2 -0.745 78.0 -54.8 -95.9 84.6 -21.0 -11.2 23.7 60 208 A D T 3 S- 0 0 111 31,-1.9 -1,-0.2 -2,-1.2 32,-0.1 0.818 123.4 -28.0 48.5 37.8 -24.6 -12.0 24.5 61 209 A G T 3 S+ 0 0 58 1,-0.2 2,-0.7 30,-0.2 -1,-0.3 0.046 117.6 101.8 118.5 -30.1 -23.6 -14.7 26.9 62 210 A V E < -B 59 0B 79 -3,-2.0 -3,-3.2 8,-0.0 -1,-0.2 -0.827 62.6-152.3 -93.3 114.9 -20.2 -15.8 25.4 63 211 A I E -B 58 0B 124 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.597 16.7-174.6 -96.8 152.2 -17.5 -14.2 27.5 64 212 A F E -B 57 0B 30 -7,-2.5 -7,-2.1 -2,-0.2 3,-0.1 -0.958 34.2-125.8-138.1 152.2 -13.9 -13.2 26.8 65 213 A D S S+ 0 0 98 -2,-0.3 2,-0.3 -9,-0.2 -1,-0.1 0.759 95.9 2.6 -69.2 -24.1 -11.0 -11.8 28.8 66 214 A C S > S- 0 0 7 -12,-0.1 4,-1.6 -10,-0.1 3,-0.4 -0.981 74.4-106.6-157.7 162.9 -10.7 -8.9 26.4 67 215 A A H > S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.833 116.2 60.5 -62.9 -33.9 -12.4 -7.4 23.4 68 216 A A H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.866 102.8 50.1 -64.7 -36.7 -9.5 -8.5 21.2 69 217 A D H > S+ 0 0 36 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.911 111.3 49.7 -66.3 -39.8 -10.1 -12.2 22.0 70 218 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.914 110.1 50.7 -63.5 -41.5 -13.7 -11.6 21.1 71 219 A A H X>S+ 0 0 7 -4,-2.5 5,-2.1 1,-0.2 4,-1.5 0.930 111.6 48.0 -60.4 -46.3 -12.6 -10.0 17.8 72 220 A R H <5S+ 0 0 142 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.820 112.3 48.7 -64.8 -32.2 -10.4 -13.0 17.1 73 221 A H H <5S+ 0 0 118 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.935 119.0 37.1 -74.0 -46.7 -13.2 -15.5 17.9 74 222 A F H <5S- 0 0 76 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.659 108.2-127.3 -78.4 -14.2 -15.8 -13.8 15.7 75 223 A K T <5 + 0 0 168 -4,-1.5 2,-0.3 -5,-0.3 -3,-0.2 0.973 66.6 121.8 64.5 54.7 -13.2 -12.9 13.1 76 224 A I < - 0 0 39 -5,-2.1 -1,-0.3 -6,-0.1 2,-0.2 -0.825 67.5 -87.1-134.8 173.9 -14.0 -9.2 13.0 77 225 A S >> - 0 0 76 -2,-0.3 4,-1.2 1,-0.1 3,-0.6 -0.502 32.4-117.2 -85.6 154.4 -12.0 -6.1 13.7 78 226 A S H 3> S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.862 115.6 61.2 -57.5 -34.8 -11.6 -4.6 17.2 79 227 A G H 3> S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 100.8 53.0 -60.1 -39.1 -13.3 -1.5 16.0 80 228 A L H <> S+ 0 0 55 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.819 102.5 58.5 -66.9 -29.6 -16.4 -3.6 15.2 81 229 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.4 -1,-0.2 0.939 108.0 45.7 -64.2 -45.4 -16.4 -5.0 18.7 82 230 A T H X S+ 0 0 67 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.908 110.9 54.7 -62.0 -43.6 -16.7 -1.4 20.1 83 231 A Y H X S+ 0 0 150 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.896 109.8 45.1 -57.5 -43.7 -19.4 -0.7 17.5 84 232 A R H < S+ 0 0 42 -4,-2.4 8,-0.5 1,-0.2 6,-0.3 0.849 107.9 57.9 -72.5 -31.7 -21.5 -3.7 18.6 85 233 A V H < S+ 0 0 33 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.885 112.2 41.4 -64.4 -36.0 -21.1 -2.9 22.3 86 234 A K H < S+ 0 0 171 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.720 97.2 102.5 -84.5 -20.6 -22.5 0.6 21.7 87 235 A S >< - 0 0 25 -4,-1.3 3,-1.0 -5,-0.2 5,-0.3 -0.365 64.6-147.7 -69.8 139.8 -25.3 -0.7 19.3 88 236 A D T 3 S+ 0 0 175 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.486 98.2 65.7 -79.4 -4.9 -28.9 -1.1 20.4 89 237 A K T 3 S+ 0 0 189 -5,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.423 99.4 54.5 -97.5 -1.4 -29.1 -4.1 18.0 90 238 A W < - 0 0 105 -3,-1.0 2,-0.3 -6,-0.3 -31,-0.0 -0.911 69.3-140.9-129.5 156.6 -26.6 -6.3 19.9 91 239 A N + 0 0 91 -2,-0.3 -31,-1.9 2,-0.0 2,-0.5 -0.544 54.8 133.3-114.3 63.0 -26.4 -7.5 23.5 92 240 A W E +C 59 0B 11 -8,-0.5 2,-0.3 -2,-0.3 -33,-0.2 -0.964 26.5 164.1-113.6 127.3 -22.6 -7.1 23.9 93 241 A F E -C 58 0B 91 -35,-2.0 -35,-2.6 -2,-0.5 2,-0.2 -0.997 36.6-114.2-147.9 148.5 -21.5 -5.4 27.1 94 242 A Y E -C 57 0B 54 -2,-0.3 2,-1.0 -37,-0.2 -37,-0.3 -0.519 35.7-113.8 -80.0 147.2 -18.3 -4.9 29.1 95 243 A I 0 0 65 -39,-2.1 -39,-0.3 -2,-0.2 -1,-0.1 -0.748 360.0 360.0 -86.9 105.2 -18.2 -6.5 32.6 96 244 A N 0 0 196 -2,-1.0 -2,-0.1 -41,-0.1 -41,-0.0 -0.752 360.0 360.0 98.1 360.0 -18.1 -3.6 35.1