NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
24965 |
2k5v   |
15849 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
!
! Dihedral angle constraints from Talos (generally, +/- 30 deg)
! ACO file produced by PDBStat
! Version: 5.0-Exp Compiled 2007-07-09 on (europa)
!
dihedral
assign (resid 172 and name C ) (resid 173 and name N )
(resid 173 and name CA ) (resid 173 and name C ) 1.0 -99.43 30.00 2
assign (resid 173 and name N ) (resid 173 and name CA )
(resid 173 and name C ) (resid 174 and name N ) 1.0 134.30 30.00 2
assign (resid 173 and name C ) (resid 174 and name N )
(resid 174 and name CA ) (resid 174 and name C ) 1.0 -114.72 30.00 2
assign (resid 174 and name N ) (resid 174 and name CA )
(resid 174 and name C ) (resid 175 and name N ) 1.0 148.89 30.00 2
assign (resid 175 and name C ) (resid 176 and name N )
(resid 176 and name CA ) (resid 176 and name C ) 1.0 -55.91 30.00 2
assign (resid 176 and name N ) (resid 176 and name CA )
(resid 176 and name C ) (resid 177 and name N ) 1.0 -37.35 30.00 2
assign (resid 176 and name C ) (resid 177 and name N )
(resid 177 and name CA ) (resid 177 and name C ) 1.0 -66.53 30.00 2
assign (resid 177 and name N ) (resid 177 and name CA )
(resid 177 and name C ) (resid 178 and name N ) 1.0 -30.24 30.00 2
assign (resid 177 and name C ) (resid 178 and name N )
(resid 178 and name CA ) (resid 178 and name C ) 1.0 -90.19 30.00 2
assign (resid 178 and name N ) (resid 178 and name CA )
(resid 178 and name C ) (resid 179 and name N ) 1.0 -6.79 30.00 2
assign (resid 183 and name C ) (resid 184 and name N )
(resid 184 and name CA ) (resid 184 and name C ) 1.0 -117.86 30.00 2
assign (resid 184 and name N ) (resid 184 and name CA )
(resid 184 and name C ) (resid 185 and name N ) 1.0 139.36 30.00 2
assign (resid 184 and name C ) (resid 185 and name N )
(resid 185 and name CA ) (resid 185 and name C ) 1.0 -174.43 30.00 2
assign (resid 185 and name N ) (resid 185 and name CA )
(resid 185 and name C ) (resid 186 and name N ) 1.0 169.14 30.00 2
assign (resid 185 and name C ) (resid 186 and name N )
(resid 186 and name CA ) (resid 186 and name C ) 1.0 -120.11 30.00 2
assign (resid 186 and name N ) (resid 186 and name CA )
(resid 186 and name C ) (resid 187 and name N ) 1.0 142.77 30.00 2
assign (resid 186 and name C ) (resid 187 and name N )
(resid 187 and name CA ) (resid 187 and name C ) 1.0 -130.12 30.00 2
assign (resid 187 and name N ) (resid 187 and name CA )
(resid 187 and name C ) (resid 188 and name N ) 1.0 147.34 30.00 2
assign (resid 187 and name C ) (resid 188 and name N )
(resid 188 and name CA ) (resid 188 and name C ) 1.0 -111.59 30.00 2
assign (resid 188 and name N ) (resid 188 and name CA )
(resid 188 and name C ) (resid 189 and name N ) 1.0 134.02 30.00 2
assign (resid 188 and name C ) (resid 189 and name N )
(resid 189 and name CA ) (resid 189 and name C ) 1.0 -138.87 30.00 2
assign (resid 189 and name N ) (resid 189 and name CA )
(resid 189 and name C ) (resid 190 and name N ) 1.0 154.17 30.00 2
assign (resid 189 and name C ) (resid 190 and name N )
(resid 190 and name CA ) (resid 190 and name C ) 1.0 -112.90 30.00 2
assign (resid 190 and name N ) (resid 190 and name CA )
(resid 190 and name C ) (resid 191 and name N ) 1.0 134.53 30.00 2
assign (resid 190 and name C ) (resid 191 and name N )
(resid 191 and name CA ) (resid 191 and name C ) 1.0 -80.80 30.00 2
assign (resid 191 and name N ) (resid 191 and name CA )
(resid 191 and name C ) (resid 192 and name N ) 1.0 125.98 30.00 2
assign (resid 192 and name C ) (resid 193 and name N )
(resid 193 and name CA ) (resid 193 and name C ) 1.0 -156.42 30.00 2
assign (resid 193 and name N ) (resid 193 and name CA )
(resid 193 and name C ) (resid 194 and name N ) 1.0 142.46 30.00 2
assign (resid 193 and name C ) (resid 194 and name N )
(resid 194 and name CA ) (resid 194 and name C ) 1.0 -121.39 30.00 2
assign (resid 194 and name N ) (resid 194 and name CA )
(resid 194 and name C ) (resid 195 and name N ) 1.0 129.64 30.00 2
assign (resid 198 and name C ) (resid 199 and name N )
(resid 199 and name CA ) (resid 199 and name C ) 1.0 -117.50 30.00 2
assign (resid 199 and name N ) (resid 199 and name CA )
(resid 199 and name C ) (resid 200 and name N ) 1.0 142.91 30.00 2
assign (resid 199 and name C ) (resid 200 and name N )
(resid 200 and name CA ) (resid 200 and name C ) 1.0 -133.47 30.00 2
assign (resid 200 and name N ) (resid 200 and name CA )
(resid 200 and name C ) (resid 201 and name N ) 1.0 154.27 30.00 2
assign (resid 200 and name C ) (resid 201 and name N )
(resid 201 and name CA ) (resid 201 and name C ) 1.0 -98.16 30.00 2
assign (resid 201 and name N ) (resid 201 and name CA )
(resid 201 and name C ) (resid 202 and name N ) 1.0 132.38 30.00 2
assign (resid 202 and name C ) (resid 203 and name N )
(resid 203 and name CA ) (resid 203 and name C ) 1.0 -60.04 30.00 2
assign (resid 203 and name N ) (resid 203 and name CA )
(resid 203 and name C ) (resid 204 and name N ) 1.0 -27.40 30.00 2
assign (resid 208 and name C ) (resid 209 and name N )
(resid 209 and name CA ) (resid 209 and name C ) 1.0 -126.80 30.00 2
assign (resid 209 and name N ) (resid 209 and name CA )
(resid 209 and name C ) (resid 210 and name N ) 1.0 145.28 30.00 2
assign (resid 209 and name C ) (resid 210 and name N )
(resid 210 and name CA ) (resid 210 and name C ) 1.0 -131.89 30.00 2
assign (resid 210 and name N ) (resid 210 and name CA )
(resid 210 and name C ) (resid 211 and name N ) 1.0 136.45 30.00 2
assign (resid 210 and name C ) (resid 211 and name N )
(resid 211 and name CA ) (resid 211 and name C ) 1.0 -142.68 30.00 2
assign (resid 211 and name N ) (resid 211 and name CA )
(resid 211 and name C ) (resid 212 and name N ) 1.0 138.82 30.00 2
assign (resid 212 and name C ) (resid 213 and name N )
(resid 213 and name CA ) (resid 213 and name C ) 1.0 -123.52 30.00 2
assign (resid 213 and name N ) (resid 213 and name CA )
(resid 213 and name C ) (resid 214 and name N ) 1.0 147.73 30.00 2
assign (resid 213 and name C ) (resid 214 and name N )
(resid 214 and name CA ) (resid 214 and name C ) 1.0 -120.10 30.00 2
assign (resid 214 and name N ) (resid 214 and name CA )
(resid 214 and name C ) (resid 215 and name N ) 1.0 123.07 30.00 2
assign (resid 214 and name C ) (resid 215 and name N )
(resid 215 and name CA ) (resid 215 and name C ) 1.0 -119.27 30.00 2
assign (resid 215 and name N ) (resid 215 and name CA )
(resid 215 and name C ) (resid 216 and name N ) 1.0 133.42 30.00 2
assign (resid 215 and name C ) (resid 216 and name N )
(resid 216 and name CA ) (resid 216 and name C ) 1.0 -136.08 30.00 2
assign (resid 216 and name N ) (resid 216 and name CA )
(resid 216 and name C ) (resid 217 and name N ) 1.0 148.14 30.00 2
assign (resid 219 and name C ) (resid 220 and name N )
(resid 220 and name CA ) (resid 220 and name C ) 1.0 138.93 30.00 2
assign (resid 220 and name N ) (resid 220 and name CA )
(resid 220 and name C ) (resid 221 and name N ) 1.0 149.26 30.00 2
assign (resid 220 and name C ) (resid 221 and name N )
(resid 221 and name CA ) (resid 221 and name C ) 1.0 -124.59 30.00 2
assign (resid 221 and name N ) (resid 221 and name CA )
(resid 221 and name C ) (resid 222 and name N ) 1.0 148.87 30.00 2
assign (resid 221 and name C ) (resid 222 and name N )
(resid 222 and name CA ) (resid 222 and name C ) 1.0 -139.49 30.00 2
assign (resid 222 and name N ) (resid 222 and name CA )
(resid 222 and name C ) (resid 223 and name N ) 1.0 134.14 30.00 2
assign (resid 222 and name C ) (resid 223 and name N )
(resid 223 and name CA ) (resid 223 and name C ) 1.0 -120.12 30.00 2
assign (resid 223 and name N ) (resid 223 and name CA )
(resid 223 and name C ) (resid 224 and name N ) 1.0 142.50 30.00 2
assign (resid 224 and name C ) (resid 225 and name N )
(resid 225 and name CA ) (resid 225 and name C ) 1.0 -125.95 30.00 2
assign (resid 225 and name N ) (resid 225 and name CA )
(resid 225 and name C ) (resid 226 and name N ) 1.0 128.11 30.00 2
assign (resid 225 and name C ) (resid 226 and name N )
(resid 226 and name CA ) (resid 226 and name C ) 1.0 -106.62 30.00 2
assign (resid 226 and name N ) (resid 226 and name CA )
(resid 226 and name C ) (resid 227 and name N ) 1.0 118.53 30.00 2
assign (resid 226 and name C ) (resid 227 and name N )
(resid 227 and name CA ) (resid 227 and name C ) 1.0 -95.00 20.00 2
assign (resid 227 and name N ) (resid 227 and name CA )
(resid 227 and name C ) (resid 228 and name N ) 1.0 163.14 20.00 2
assign (resid 228 and name C ) (resid 229 and name N )
(resid 229 and name CA ) (resid 229 and name C ) 1.0 -67.78 30.00 2
assign (resid 229 and name N ) (resid 229 and name CA )
(resid 229 and name C ) (resid 230 and name N ) 1.0 -35.25 30.00 2
assign (resid 229 and name C ) (resid 230 and name N )
(resid 230 and name CA ) (resid 230 and name C ) 1.0 -74.54 30.00 2
assign (resid 230 and name N ) (resid 230 and name CA )
(resid 230 and name C ) (resid 231 and name N ) 1.0 -18.53 30.00 2
assign (resid 231 and name C ) (resid 232 and name N )
(resid 232 and name CA ) (resid 232 and name C ) 1.0 -94.58 30.00 2
assign (resid 232 and name N ) (resid 232 and name CA )
(resid 232 and name C ) (resid 233 and name N ) 1.0 -4.97 30.00 2
assign (resid 234 and name C ) (resid 235 and name N )
(resid 235 and name CA ) (resid 235 and name C ) 1.0 -116.55 30.00 2
assign (resid 235 and name N ) (resid 235 and name CA )
(resid 235 and name C ) (resid 236 and name N ) 1.0 138.06 30.00 2
assign (resid 235 and name C ) (resid 236 and name N )
(resid 236 and name CA ) (resid 236 and name C ) 1.0 -121.86 30.00 2
assign (resid 236 and name N ) (resid 236 and name CA )
(resid 236 and name C ) (resid 237 and name N ) 1.0 141.97 30.00 2
assign (resid 239 and name C ) (resid 240 and name N )
(resid 240 and name CA ) (resid 240 and name C ) 1.0 -108.08 30.00 2
assign (resid 240 and name N ) (resid 240 and name CA )
(resid 240 and name C ) (resid 241 and name N ) 1.0 127.94 30.00 2
assign (resid 240 and name C ) (resid 241 and name N )
(resid 241 and name CA ) (resid 241 and name C ) 1.0 -110.97 30.00 2
assign (resid 241 and name N ) (resid 241 and name CA )
(resid 241 and name C ) (resid 242 and name N ) 1.0 134.58 30.00 2
assign (resid 241 and name C ) (resid 242 and name N )
(resid 242 and name CA ) (resid 242 and name C ) 1.0 -104.27 30.00 2
assign (resid 242 and name N ) (resid 242 and name CA )
(resid 242 and name C ) (resid 243 and name N ) 1.0 119.19 30.00 2
assign (resid 242 and name C ) (resid 243 and name N )
(resid 243 and name CA ) (resid 243 and name C ) 1.0 -116.82 30.00 2
assign (resid 243 and name N ) (resid 243 and name CA )
(resid 243 and name C ) (resid 244 and name N ) 1.0 131.72 30.00 2
assign (resid 243 and name C ) (resid 244 and name N )
(resid 244 and name CA ) (resid 244 and name C ) 1.0 -114.18 30.00 2
assign (resid 244 and name N ) (resid 244 and name CA )
(resid 244 and name C ) (resid 245 and name N ) 1.0 138.93 30.00 2
assign (resid 245 and name C ) (resid 246 and name N )
(resid 246 and name CA ) (resid 246 and name C ) 1.0 -121.34 30.00 2
assign (resid 246 and name N ) (resid 246 and name CA )
(resid 246 and name C ) (resid 247 and name N ) 1.0 125.82 30.00 2
assign (resid 246 and name C ) (resid 247 and name N )
(resid 247 and name CA ) (resid 247 and name C ) 1.0 -96.83 30.00 2
assign (resid 247 and name N ) (resid 247 and name CA )
(resid 247 and name C ) (resid 248 and name N ) 1.0 127.93 30.00 2
assign (resid 247 and name C ) (resid 248 and name N )
(resid 248 and name CA ) (resid 248 and name C ) 1.0 -133.94 30.00 2
assign (resid 248 and name N ) (resid 248 and name CA )
(resid 248 and name C ) (resid 249 and name N ) 1.0 149.94 30.00 2
assign (resid 248 and name C ) (resid 249 and name N )
(resid 249 and name CA ) (resid 249 and name C ) 1.0 -90.26 30.00 2
assign (resid 249 and name N ) (resid 249 and name CA )
(resid 249 and name C ) (resid 250 and name N ) 1.0 139.00 30.00 2
assign (resid 254 and name C ) (resid 255 and name N )
(resid 255 and name CA ) (resid 255 and name C ) 1.0 -137.07 30.00 2
assign (resid 255 and name N ) (resid 255 and name CA )
(resid 255 and name C ) (resid 256 and name N ) 1.0 156.59 30.00 2
assign (resid 255 and name C ) (resid 256 and name N )
(resid 256 and name CA ) (resid 256 and name C ) 1.0 -132.09 30.00 2
assign (resid 256 and name N ) (resid 256 and name CA )
(resid 256 and name C ) (resid 257 and name N ) 1.0 135.12 30.00 2
assign (resid 256 and name C ) (resid 257 and name N )
(resid 257 and name CA ) (resid 257 and name C ) 1.0 -94.31 30.00 2
assign (resid 257 and name N ) (resid 257 and name CA )
(resid 257 and name C ) (resid 258 and name N ) 1.0 121.07 30.00 2
assign (resid 257 and name C ) (resid 258 and name N )
(resid 258 and name CA ) (resid 258 and name C ) 1.0 -78.16 30.00 2
assign (resid 258 and name N ) (resid 258 and name CA )
(resid 258 and name C ) (resid 259 and name N ) 1.0 129.65 30.00 2
assign (resid 258 and name C ) (resid 259 and name N )
(resid 259 and name CA ) (resid 259 and name C ) 1.0 -106.26 30.00 2
assign (resid 259 and name N ) (resid 259 and name CA )
(resid 259 and name C ) (resid 260 and name N ) 1.0 -30.53 30.00 2
assign (resid 259 and name C ) (resid 260 and name N )
(resid 260 and name CA ) (resid 260 and name C ) 1.0 -150.82 30.00 2
assign (resid 260 and name N ) (resid 260 and name CA )
(resid 260 and name C ) (resid 261 and name N ) 1.0 146.05 30.00 2
assign (resid 260 and name C ) (resid 261 and name N )
(resid 261 and name CA ) (resid 261 and name C ) 1.0 -134.35 30.00 2
assign (resid 261 and name N ) (resid 261 and name CA )
(resid 261 and name C ) (resid 262 and name N ) 1.0 142.76 30.00 2
assign (resid 261 and name C ) (resid 262 and name N )
(resid 262 and name CA ) (resid 262 and name C ) 1.0 -131.03 20.00 2
assign (resid 262 and name N ) (resid 262 and name CA )
(resid 262 and name C ) (resid 263 and name N ) 1.0 138.29 20.00 2
assign (resid 262 and name C ) (resid 263 and name N )
(resid 263 and name CA ) (resid 263 and name C ) 1.0 -99.31 30.00 2
assign (resid 263 and name N ) (resid 263 and name CA )
(resid 263 and name C ) (resid 264 and name N ) 1.0 118.68 30.00 2
!
! additional chi1/chi2 for favourable rotamers (selected residues in secondary structural elements only)
! applied at final stage of structure refinement
!
assign (resid 210 and name N ) (resid 210 and name CA )
(resid 210 and name CB ) (resid 210 and name CG ) 1.0 180.00 20.00 2
assign (resid 210 and name CA ) (resid 210 and name CB )
(resid 210 and name CG ) (resid 210 and name CD1 ) 1.0 60.00 20.00 2
assign (resid 197 and name N ) (resid 197 and name CA )
(resid 197 and name CB ) (resid 197 and name CG ) 1.0 60.00 20.00 2
assign (resid 197 and name CA ) (resid 197 and name CB )
(resid 197 and name CG ) (resid 197 and name CD ) 1.0 180.00 20.00 2
assign (resid 249 and name N ) (resid 249 and name CA )
(resid 249 and name CB ) (resid 249 and name CG ) 1.0 180.00 20.00 2
assign (resid 249 and name CA ) (resid 249 and name CB )
(resid 249 and name CG ) (resid 249 and name CD ) 1.0 180.00 20.00 2
assign (resid 246 and name N ) (resid 246 and name CA )
(resid 246 and name CB ) (resid 246 and name CG ) 1.0 180.00 20.00 2
assign (resid 246 and name CA ) (resid 246 and name CB )
(resid 246 and name CG ) (resid 246 and name CD1 ) 1.0 90.00 20.00 2
# additional N228 psi constraint to keep in allowed region of right side of Ramachandran
assign (resid 228 and name N ) (resid 228 and name CA )
(resid 228 and name C ) (resid 229 and name N ) 1.0 -155.00 20.00 2
# additional TALOS consttaints for P181 and N182
assign (resid 180 and name C ) (resid 181 and name N )
(resid 181 and name CA ) (resid 181 and name C ) 1.0 -61.69 30.00 2
assign (resid 181 and name N ) (resid 181 and name CA )
(resid 181 and name C ) (resid 182 and name N ) 1.0 145.10 30.00 2
assign (resid 181 and name C ) (resid 182 and name N )
(resid 182 and name CA ) (resid 182 and name C ) 1.0 62.93 30.00 2
assign (resid 182 and name N ) (resid 182 and name CA )
(resid 182 and name C ) (resid 183 and name N ) 1.0 19.42 30.50 2
end
Contact the webmaster for help, if required. Thursday, May 2, 2024 2:19:52 PM GMT (wattos1)