From: OpenFLUX: efficient modelling software for 13C-based metabolic flux analysis
 |  | Wild-type | Mutant | ||||
---|---|---|---|---|---|---|---|
Metabolite fragment | Â | Published data | Present work | Published data | Present work | ||
 |  | Exp | Calc | Calc | Exp | Calc | Calc |
ALA 260 | M0 | 0.508 | 0.509 | 0.509 | 0.523 | 0.525 | 0.525 |
 | M1 | 0.353 | 0.354 | 0.354 | 0.341 | 0.342 | 0.342 |
 | M2 | 0.106 | 0.106 | 0.106 | 0.103 | 0.104 | 0.104 |
VAL 288 | M0 | 0.345 | 0.348 | 0.348 | 0.364 | 0.366 | 0.366 |
 | M1 | 0.398 | 0.398 | 0.398 | 0.392 | 0.392 | 0.392 |
 | M2 | 0.184 | 0.184 | 0.184 | 0.175 | 0.175 | 0.175 |
THR 404 | M0 | 0.333 | 0.334 | 0.334 | 0.344 | 0.344 | 0.344 |
 | M1 | 0.376 | 0.376 | 0.376 | 0.373 | 0.371 | 0.371 |
 | M2 | 0.196 | 0.196 | 0.196 | 0.191 | 0.192 | 0.192 |
ASP 418 | M0 | 0.334 | 0.333 | 0.333 | 0.345 | 0.343 | 0.343 |
 | M1 | 0.373 | 0.375 | 0.375 | 0.370 | 0.370 | 0.371 |
 | M2 | 0.195 | 0.196 | 0.196 | 0.192 | 0.193 | 0.192 |
GLU 432 | M0 | 0.247 | 0.25 | 0.249 | 0.257 | 0.264 | 0.264 |
 | M1 | 0.365 | 0.366 | 0.366 | 0.365 | 0.365 | 0.365 |
 | M2 | 0.241 | 0.239 | 0.240 | 0.236 | 0.232 | 0.232 |
SER 390 | M0 | 0.450 | 0.449 | 0.448 | 0.462 | 0.463 | 0.463 |
 | M1 | 0.358 | 0.358 | 0.358 | 0.349 | 0.349 | 0.349 |
 | M2 | 0.143 | 0.143 | 0.144 | 0.140 | 0.140 | 0.140 |
PHE 336 | M0 | 0.271 | 0.274 | 0.274 | 0.287 | 0.289 | 0.289 |
 | M1 | 0.382 | 0.381 | 0.381 | 0.380 | 0.381 | 0.381 |
 | M2 | 0.228 | 0.228 | 0.228 | 0.220 | 0.220 | 0.220 |
GLY 246 | M0 | 0.741 | 0.742 | 0.742 | 0.741 | 0.743 | 0.743 |
 | M1 | 0.184 | 0.185 | 0.185 | 0.183 | 0.184 | 0.184 |
TYR 466 | M0 | 0.234 | 0.236 | 0.236 | 0.246 | 0.249 | 0.249 |
 | M1 | 0.353 | 0.356 | 0.356 | 0.351 | 0.358 | 0.357 |
 | M2 | 0.242 | 0.245 | 0.245 | 0.234 | 0.238 | 0.238 |
TRE 361 | M0 | 0.061 | 0.062 | 0.062 | 0.088 | 0.088 | 0.088 |
 | M1 | 0.604 | 0.607 | 0.606 | 0.573 | 0.577 | 0.574 |
 | M2 | 0.207 | 0.207 | 0.207 | 0.213 | 0.213 | 0.213 |
Sum weighted residues* | Â | Â | 761 | 684 | Â | 1735 | 1461 |