| Chain sequence(s) |
A: LVPNDTRYSEQWGYASGVGGANLPKAWDITTGSDKVVVAVVDTGYRPHADLAANILPGYDFISDPDSANDGNGRDNNAADPGDWVTQQEVDDPNGPFYRCQLDQFGNTFASNSSWHGTHVAGTIGAVSNNGTGVAGISWKGKILPVRVLGKCGGTLSDIADGMRWAAGLSVPGAPANPNPASVLNFSLGGGGSCSRTYQNAINAVVAKGATVVVAAGNEASPVSSSQPANCQNVIAVAATDINGRRASFTNTGSLVKIAAPGVNILSTLNSGTKSPAADSYASYNGTSMATPHVAGTVALMLAANGSLTPSQILQKLQASARPFPSGSGCSTSTCGAGLLDAGAAVNAARQHHH
B: LVPNDTRYSEQWGYASGVGGANLPKAWDITTGSDKVVVAVVDTGYRPHADLAANILPGYDFISDPDSANDGNGRDNNAADPGDWVTQQEVDDPNGPFYRCQLDQFGNTFASNSSWHGTHVAGTIGAVSNNGTGVAGISWKGKILPVRVLGKCGGTLSDIADGMRWAAGLSVPGAPANPNPASVLNFSLGGGGSCSRTYQNAINAVVAKGATVVVAAGNEASPVSSSQPANCQNVIAVAATDINGRRASFTNTGSLVKIAAPGVNILSTLNSGTKSPAADSYASYNGTSMATPHVAGTVALMLAANGSLTPSQILQKLQASARPFPSGSGCSTSTCGAGLLDAGAAVNAARQHHH input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e3e32e1689f009f/tmp/folded.pdb (00:05:01)
[INFO] Main: Simulation completed successfully. (00:09:58)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 114 | L | A | 1.3320 | |
| 115 | V | A | 1.5522 | |
| 116 | P | A | 0.0000 | |
| 117 | N | A | -1.4815 | |
| 118 | D | A | 0.0000 | |
| 119 | T | A | -1.1882 | |
| 120 | R | A | -1.2427 | |
| 121 | Y | A | -0.9209 | |
| 122 | S | A | -1.0592 | |
| 123 | E | A | -2.0190 | |
| 124 | Q | A | 0.0000 | |
| 125 | W | A | -0.1161 | |
| 126 | G | A | 0.0000 | |
| 127 | Y | A | 0.0000 | |
| 128 | A | A | 0.0016 | |
| 129 | S | A | -0.3170 | |
| 130 | G | A | 0.3377 | |
| 131 | V | A | 1.1102 | |
| 132 | G | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | N | A | -0.5171 | |
| 136 | L | A | 0.0000 | |
| 137 | P | A | -0.0295 | |
| 138 | K | A | -1.2840 | |
| 139 | A | A | 0.0000 | |
| 140 | W | A | 0.0000 | |
| 141 | D | A | -1.0399 | |
| 142 | I | A | -0.1796 | |
| 143 | T | A | -0.4082 | |
| 144 | T | A | 0.0000 | |
| 145 | G | A | -1.2245 | |
| 146 | S | A | -2.1718 | |
| 147 | D | A | -3.2860 | |
| 148 | K | A | -3.0006 | |
| 149 | V | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | D | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | Y | A | -0.1047 | |
| 159 | R | A | -0.4662 | |
| 160 | P | A | -0.3895 | |
| 161 | H | A | 0.0000 | |
| 162 | A | A | -0.2098 | |
| 163 | D | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | A | A | 0.1143 | |
| 166 | A | A | -0.0378 | |
| 167 | N | A | 0.0000 | |
| 168 | I | A | 0.1675 | |
| 169 | L | A | 0.0128 | |
| 170 | P | A | -0.6504 | |
| 171 | G | A | -0.7580 | |
| 172 | Y | A | 0.0000 | |
| 173 | D | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | I | A | 0.0000 | |
| 176 | S | A | -1.5067 | |
| 177 | D | A | -2.4242 | |
| 178 | P | A | -2.5021 | |
| 179 | D | A | -2.6048 | |
| 180 | S | A | -1.6763 | |
| 181 | A | A | 0.0000 | |
| 182 | N | A | -1.8225 | |
| 183 | D | A | -2.0989 | |
| 184 | G | A | -1.9331 | |
| 185 | N | A | -2.0835 | |
| 186 | G | A | -1.8977 | |
| 187 | R | A | -1.8769 | |
| 188 | D | A | -1.8960 | |
| 189 | N | A | -2.1497 | |
| 190 | N | A | -2.0444 | |
| 191 | A | A | 0.0000 | |
| 192 | A | A | -0.7154 | |
| 193 | D | A | 0.0000 | |
| 194 | P | A | -0.7105 | |
| 195 | G | A | 0.0000 | |
| 196 | D | A | 0.0000 | |
| 197 | W | A | -1.0198 | |
| 198 | V | A | 0.0000 | |
| 199 | T | A | -1.3522 | |
| 200 | Q | A | -1.7854 | |
| 201 | Q | A | -2.2097 | |
| 202 | E | A | -1.8640 | |
| 203 | V | A | 0.0000 | |
| 204 | D | A | -2.2381 | |
| 205 | D | A | -2.1669 | |
| 206 | P | A | -1.5792 | |
| 207 | N | A | -1.7285 | |
| 208 | G | A | -1.5479 | |
| 209 | P | A | -1.1861 | |
| 210 | F | A | 0.0000 | |
| 211 | Y | A | -1.0376 | |
| 212 | R | A | -0.9719 | |
| 213 | C | A | -0.3017 | |
| 214 | Q | A | -0.4375 | |
| 215 | L | A | -0.4441 | |
| 216 | D | A | -1.0095 | |
| 217 | Q | A | -0.9201 | |
| 218 | F | A | 0.6573 | |
| 219 | G | A | -0.3960 | |
| 220 | N | A | -1.1364 | |
| 221 | T | A | -0.6905 | |
| 222 | F | A | -0.1603 | |
| 223 | A | A | -0.4705 | |
| 224 | S | A | -0.7703 | |
| 225 | N | A | -1.6652 | |
| 226 | S | A | 0.0000 | |
| 227 | S | A | -0.5663 | |
| 228 | W | A | 0.0000 | |
| 229 | H | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | H | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | G | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | G | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | V | A | -0.3407 | |
| 241 | S | A | -0.9046 | |
| 242 | N | A | -1.5871 | |
| 243 | N | A | -1.6104 | |
| 244 | G | A | -1.5102 | |
| 245 | T | A | -0.9228 | |
| 246 | G | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | G | A | 0.0000 | |
| 250 | I | A | 0.0000 | |
| 251 | S | A | 0.0000 | |
| 252 | W | A | -1.0994 | |
| 253 | K | A | -2.4919 | |
| 254 | G | A | 0.0000 | |
| 255 | K | A | -1.6151 | |
| 256 | I | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | P | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | R | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | K | A | 0.0000 | |
| 265 | C | A | -0.2889 | |
| 266 | G | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | T | A | -0.8115 | |
| 269 | L | A | 0.0000 | |
| 270 | S | A | -0.2957 | |
| 271 | D | A | 0.0000 | |
| 272 | I | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | D | A | -0.5822 | |
| 275 | G | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | R | A | -0.9323 | |
| 278 | W | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | G | A | -0.5574 | |
| 282 | L | A | -0.3093 | |
| 283 | S | A | -0.4126 | |
| 284 | V | A | 0.0000 | |
| 285 | P | A | -0.6050 | |
| 286 | G | A | -0.7713 | |
| 287 | A | A | -0.7915 | |
| 288 | P | A | -0.6036 | |
| 289 | A | A | -0.2997 | |
| 290 | N | A | 0.0000 | |
| 291 | P | A | -0.5500 | |
| 292 | N | A | -0.8593 | |
| 293 | P | A | -0.7781 | |
| 294 | A | A | 0.0000 | |
| 295 | S | A | -0.5797 | |
| 296 | V | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | N | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | G | A | -0.8978 | |
| 305 | G | A | -0.5896 | |
| 306 | S | A | -0.4476 | |
| 307 | C | A | -0.5026 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | -1.0853 | |
| 310 | T | A | -0.9707 | |
| 311 | Y | A | 0.0000 | |
| 312 | Q | A | 0.0000 | |
| 313 | N | A | -1.6006 | |
| 314 | A | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | N | A | -1.6076 | |
| 317 | A | A | -0.8848 | |
| 318 | V | A | 0.0000 | |
| 319 | V | A | -0.7531 | |
| 320 | A | A | -0.8102 | |
| 321 | K | A | -1.4374 | |
| 322 | G | A | -0.8803 | |
| 323 | A | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | A | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | N | A | -1.1809 | |
| 332 | E | A | -1.6582 | |
| 333 | A | A | -0.7781 | |
| 334 | S | A | -0.7691 | |
| 335 | P | A | -0.6295 | |
| 336 | V | A | 0.0000 | |
| 337 | S | A | -0.4649 | |
| 338 | S | A | -0.7172 | |
| 339 | S | A | 0.0000 | |
| 340 | Q | A | 0.0000 | |
| 341 | P | A | 0.0000 | |
| 342 | A | A | 0.0000 | |
| 343 | N | A | -0.6830 | |
| 344 | C | A | 0.0000 | |
| 345 | Q | A | -1.8724 | |
| 346 | N | A | -1.9814 | |
| 347 | V | A | 0.0000 | |
| 348 | I | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | A | A | 0.0000 | |
| 353 | T | A | 0.0000 | |
| 354 | D | A | -0.4453 | |
| 355 | I | A | 1.0575 | |
| 356 | N | A | -0.4629 | |
| 357 | G | A | 0.0000 | |
| 358 | R | A | -1.7235 | |
| 359 | R | A | -1.6417 | |
| 360 | A | A | 0.0000 | |
| 361 | S | A | -0.7394 | |
| 362 | F | A | -0.6301 | |
| 363 | T | A | 0.0000 | |
| 364 | N | A | 0.0000 | |
| 365 | T | A | -0.5228 | |
| 366 | G | A | -0.3420 | |
| 367 | S | A | -0.2882 | |
| 368 | L | A | -0.0852 | |
| 369 | V | A | 0.0000 | |
| 370 | K | A | -0.4941 | |
| 371 | I | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | P | A | 0.0000 | |
| 375 | G | A | 0.0000 | |
| 376 | V | A | -0.5638 | |
| 377 | N | A | -1.4084 | |
| 378 | I | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | S | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | N | A | 0.0000 | |
| 384 | S | A | -0.6547 | |
| 385 | G | A | -1.0120 | |
| 386 | T | A | -1.2953 | |
| 387 | K | A | -1.8455 | |
| 388 | S | A | -1.1103 | |
| 389 | P | A | -0.7669 | |
| 390 | A | A | -0.5907 | |
| 391 | A | A | -0.6084 | |
| 392 | D | A | -1.1824 | |
| 393 | S | A | -0.4683 | |
| 394 | Y | A | 0.0142 | |
| 395 | A | A | -0.0025 | |
| 396 | S | A | -0.7334 | |
| 397 | Y | A | -0.6826 | |
| 398 | N | A | -1.4760 | |
| 399 | G | A | 0.0000 | |
| 400 | T | A | 0.0000 | |
| 401 | S | A | 0.0000 | |
| 402 | M | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | T | A | 0.0000 | |
| 405 | P | A | 0.0000 | |
| 406 | H | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | A | A | 0.0000 | |
| 409 | G | A | 0.0000 | |
| 410 | T | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | A | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | M | A | 0.0000 | |
| 415 | L | A | 0.0000 | |
| 416 | A | A | -0.9627 | |
| 417 | A | A | -0.5095 | |
| 418 | N | A | -0.9570 | |
| 419 | G | A | -0.7772 | |
| 420 | S | A | -0.4864 | |
| 421 | L | A | -0.3959 | |
| 422 | T | A | -0.5737 | |
| 423 | P | A | -0.7308 | |
| 424 | S | A | -1.0797 | |
| 425 | Q | A | -1.4883 | |
| 426 | I | A | 0.0000 | |
| 427 | L | A | -0.9117 | |
| 428 | Q | A | -1.8097 | |
| 429 | K | A | -1.4564 | |
| 430 | L | A | 0.0000 | |
| 431 | Q | A | -1.0074 | |
| 432 | A | A | -0.6213 | |
| 433 | S | A | -0.4987 | |
| 434 | A | A | -0.3789 | |
| 435 | R | A | -0.2794 | |
| 436 | P | A | -0.3621 | |
| 437 | F | A | -0.4337 | |
| 438 | P | A | -0.4783 | |
| 439 | S | A | -0.6515 | |
| 440 | G | A | -0.9806 | |
| 441 | S | A | 0.0000 | |
| 442 | G | A | -1.1805 | |
| 443 | C | A | -0.8232 | |
| 444 | S | A | -0.4012 | |
| 445 | T | A | -0.3045 | |
| 446 | S | A | -0.3488 | |
| 447 | T | A | -0.4224 | |
| 448 | C | A | 0.0000 | |
| 449 | G | A | 0.0000 | |
| 450 | A | A | -0.4748 | |
| 451 | G | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | L | A | 0.0000 | |
| 454 | D | A | 0.0000 | |
| 455 | A | A | 0.0000 | |
| 456 | G | A | -0.9748 | |
| 457 | A | A | -0.6170 | |
| 458 | A | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | N | A | -1.4049 | |
| 461 | A | A | -1.1189 | |
| 462 | A | A | -1.7378 | |
| 463 | R | A | -2.8581 | |
| 464 | Q | A | -2.8959 | |
| 465 | H | A | -2.7578 | |
| 466 | H | A | -2.2033 | |
| 467 | H | A | -1.8493 | |
| 114 | L | B | 0.5592 | |
| 115 | V | B | 1.2656 | |
| 116 | P | B | 0.0000 | |
| 117 | N | B | -1.5707 | |
| 118 | D | B | 0.0000 | |
| 119 | T | B | -1.1939 | |
| 120 | R | B | -1.2526 | |
| 121 | Y | B | -0.9047 | |
| 122 | S | B | -1.0082 | |
| 123 | E | B | -1.8943 | |
| 124 | Q | B | 0.0000 | |
| 125 | W | B | -0.0934 | |
| 126 | G | B | 0.0000 | |
| 127 | Y | B | 0.0000 | |
| 128 | A | B | -0.0470 | |
| 129 | S | B | -0.3944 | |
| 130 | G | B | 0.2805 | |
| 131 | V | B | 0.9913 | |
| 132 | G | B | 0.0000 | |
| 133 | G | B | 0.0000 | |
| 134 | A | B | 0.0000 | |
| 135 | N | B | -0.6380 | |
| 136 | L | B | 0.0000 | |
| 137 | P | B | -0.3002 | |
| 138 | K | B | -1.5369 | |
| 139 | A | B | 0.0000 | |
| 140 | W | B | 0.0000 | |
| 141 | D | B | -0.8690 | |
| 142 | I | B | -0.7012 | |
| 143 | T | B | -0.6020 | |
| 144 | T | B | -0.2843 | |
| 145 | G | B | 0.0000 | |
| 146 | S | B | -1.9244 | |
| 147 | D | B | -3.0108 | |
| 148 | K | B | -2.8802 | |
| 149 | V | B | 0.0000 | |
| 150 | V | B | 0.0000 | |
| 151 | V | B | 0.0000 | |
| 152 | A | B | 0.0000 | |
| 153 | V | B | 0.0000 | |
| 154 | V | B | 0.0000 | |
| 155 | D | B | 0.0000 | |
| 156 | T | B | 0.0000 | |
| 157 | G | B | 0.0000 | |
| 158 | Y | B | -0.1333 | |
| 159 | R | B | -0.4920 | |
| 160 | P | B | -0.4134 | |
| 161 | H | B | 0.0000 | |
| 162 | A | B | -0.2211 | |
| 163 | D | B | 0.0000 | |
| 164 | L | B | 0.0000 | |
| 165 | A | B | 0.1087 | |
| 166 | A | B | 0.0573 | |
| 167 | N | B | 0.0000 | |
| 168 | I | B | 0.1687 | |
| 169 | L | B | 0.0362 | |
| 170 | P | B | -0.6380 | |
| 171 | G | B | -0.7546 | |
| 172 | Y | B | 0.0000 | |
| 173 | D | B | 0.0000 | |
| 174 | F | B | 0.0000 | |
| 175 | I | B | 0.0000 | |
| 176 | S | B | -1.4194 | |
| 177 | D | B | -2.1976 | |
| 178 | P | B | -2.3578 | |
| 179 | D | B | -2.4766 | |
| 180 | S | B | -1.6561 | |
| 181 | A | B | 0.0000 | |
| 182 | N | B | -1.8379 | |
| 183 | D | B | -2.1600 | |
| 184 | G | B | -1.9305 | |
| 185 | N | B | -2.0489 | |
| 186 | G | B | -1.8205 | |
| 187 | R | B | -1.8460 | |
| 188 | D | B | -1.9153 | |
| 189 | N | B | -2.1652 | |
| 190 | N | B | -2.0837 | |
| 191 | A | B | 0.0000 | |
| 192 | A | B | -0.7365 | |
| 193 | D | B | 0.0000 | |
| 194 | P | B | -0.7708 | |
| 195 | G | B | 0.0000 | |
| 196 | D | B | -0.7602 | |
| 197 | W | B | -1.1164 | |
| 198 | V | B | 0.0000 | |
| 199 | T | B | -1.4038 | |
| 200 | Q | B | -1.8420 | |
| 201 | Q | B | -2.2261 | |
| 202 | E | B | -1.8718 | |
| 203 | V | B | 0.0000 | |
| 204 | D | B | -2.3041 | |
| 205 | D | B | -2.2407 | |
| 206 | P | B | -1.6071 | |
| 207 | N | B | -1.7163 | |
| 208 | G | B | -1.5685 | |
| 209 | P | B | -1.1347 | |
| 210 | F | B | 0.0000 | |
| 211 | Y | B | -0.8567 | |
| 212 | R | B | -0.9447 | |
| 213 | C | B | 0.2665 | |
| 214 | Q | B | 0.0725 | |
| 215 | L | B | 0.0083 | |
| 216 | D | B | -0.7694 | |
| 217 | Q | B | -0.8058 | |
| 218 | F | B | 0.7499 | |
| 219 | G | B | -0.2624 | |
| 220 | N | B | -1.0512 | |
| 221 | T | B | -0.4964 | |
| 222 | F | B | -0.0956 | |
| 223 | A | B | -0.4035 | |
| 224 | S | B | -0.8021 | |
| 225 | N | B | -1.7088 | |
| 226 | S | B | 0.0000 | |
| 227 | S | B | -0.6439 | |
| 228 | W | B | 0.0000 | |
| 229 | H | B | -0.1258 | |
| 230 | G | B | 0.0000 | |
| 231 | T | B | 0.0000 | |
| 232 | H | B | 0.0000 | |
| 233 | V | B | 0.0000 | |
| 234 | A | B | 0.0000 | |
| 235 | G | B | 0.0000 | |
| 236 | T | B | 0.0000 | |
| 237 | I | B | 0.0000 | |
| 238 | G | B | 0.0000 | |
| 239 | A | B | 0.0000 | |
| 240 | V | B | -0.1919 | |
| 241 | S | B | -0.7648 | |
| 242 | N | B | -1.5620 | |
| 243 | N | B | -1.5966 | |
| 244 | G | B | -1.5091 | |
| 245 | T | B | -0.9309 | |
| 246 | G | B | 0.0000 | |
| 247 | V | B | 0.0000 | |
| 248 | A | B | 0.0000 | |
| 249 | G | B | 0.0000 | |
| 250 | I | B | 0.0000 | |
| 251 | S | B | 0.0000 | |
| 252 | W | B | -0.6655 | |
| 253 | K | B | -1.6259 | |
| 254 | G | B | 0.0000 | |
| 255 | K | B | -1.4074 | |
| 256 | I | B | 0.0000 | |
| 257 | L | B | 0.0000 | |
| 258 | P | B | 0.0000 | |
| 259 | V | B | 0.0000 | |
| 260 | R | B | 0.0000 | |
| 261 | V | B | 0.0000 | |
| 262 | L | B | -0.0175 | |
| 263 | G | B | 0.0000 | |
| 264 | K | B | 0.0000 | |
| 265 | C | B | 0.0686 | |
| 266 | G | B | -0.2137 | |
| 267 | G | B | -0.4353 | |
| 268 | T | B | -0.1871 | |
| 269 | L | B | 0.1697 | |
| 270 | S | B | -0.1242 | |
| 271 | D | B | 0.0000 | |
| 272 | I | B | 0.0000 | |
| 273 | A | B | 0.0000 | |
| 274 | D | B | -0.4949 | |
| 275 | G | B | 0.0000 | |
| 276 | M | B | 0.0000 | |
| 277 | R | B | -0.8978 | |
| 278 | W | B | 0.0000 | |
| 279 | A | B | 0.0000 | |
| 280 | A | B | 0.0000 | |
| 281 | G | B | -0.5603 | |
| 282 | L | B | -0.3356 | |
| 283 | S | B | -0.4132 | |
| 284 | V | B | 0.0000 | |
| 285 | P | B | -0.6067 | |
| 286 | G | B | -0.7713 | |
| 287 | A | B | -0.7949 | |
| 288 | P | B | -0.6048 | |
| 289 | A | B | -0.3033 | |
| 290 | N | B | 0.0000 | |
| 291 | P | B | -0.5278 | |
| 292 | N | B | -0.8091 | |
| 293 | P | B | -0.7669 | |
| 294 | A | B | 0.0000 | |
| 295 | S | B | -0.5622 | |
| 296 | V | B | 0.0000 | |
| 297 | L | B | 0.0000 | |
| 298 | N | B | 0.0000 | |
| 299 | F | B | 0.0000 | |
| 300 | S | B | 0.0000 | |
| 301 | L | B | -0.2742 | |
| 302 | G | B | -0.8253 | |
| 303 | G | B | -0.8706 | |
| 304 | G | B | -1.0285 | |
| 305 | G | B | -0.9080 | |
| 306 | S | B | -0.8268 | |
| 307 | C | B | -0.9660 | |
| 308 | S | B | -1.1958 | |
| 309 | R | B | -2.2963 | |
| 310 | T | B | -1.3414 | |
| 311 | Y | B | 0.0000 | |
| 312 | Q | B | -2.0285 | |
| 313 | N | B | -2.1923 | |
| 314 | A | B | 0.0000 | |
| 315 | I | B | 0.0000 | |
| 316 | N | B | -1.6782 | |
| 317 | A | B | -1.0075 | |
| 318 | V | B | 0.0000 | |
| 319 | V | B | -0.6309 | |
| 320 | A | B | -0.7229 | |
| 321 | K | B | -1.5135 | |
| 322 | G | B | -0.9065 | |
| 323 | A | B | 0.0000 | |
| 324 | T | B | 0.0000 | |
| 325 | V | B | 0.0000 | |
| 326 | V | B | 0.0000 | |
| 327 | V | B | 0.0000 | |
| 328 | A | B | 0.0000 | |
| 329 | A | B | 0.0000 | |
| 330 | G | B | -1.1382 | |
| 331 | N | B | -1.7721 | |
| 332 | E | B | -2.1802 | |
| 333 | A | B | -1.0547 | |
| 334 | S | B | -0.9591 | |
| 335 | P | B | -0.6841 | |
| 336 | V | B | 0.0000 | |
| 337 | S | B | -0.5362 | |
| 338 | S | B | -0.9472 | |
| 339 | S | B | 0.0000 | |
| 340 | Q | B | -0.6638 | |
| 341 | P | B | 0.0000 | |
| 342 | A | B | 0.0000 | |
| 343 | N | B | -0.7718 | |
| 344 | C | B | 0.0000 | |
| 345 | Q | B | -1.6402 | |
| 346 | N | B | -1.4444 | |
| 347 | V | B | 0.0000 | |
| 348 | I | B | 0.0000 | |
| 349 | A | B | 0.0000 | |
| 350 | V | B | 0.0000 | |
| 351 | A | B | 0.0000 | |
| 352 | A | B | 0.0000 | |
| 353 | T | B | 0.0000 | |
| 354 | D | B | -0.5591 | |
| 355 | I | B | 0.9505 | |
| 356 | N | B | -0.6099 | |
| 357 | G | B | 0.0000 | |
| 358 | R | B | -1.9951 | |
| 359 | R | B | -1.8057 | |
| 360 | A | B | 0.0000 | |
| 361 | S | B | -0.8807 | |
| 362 | F | B | -0.8997 | |
| 363 | T | B | 0.0000 | |
| 364 | N | B | 0.0000 | |
| 365 | T | B | -0.6238 | |
| 366 | G | B | -0.3427 | |
| 367 | S | B | -0.2904 | |
| 368 | L | B | -0.0889 | |
| 369 | V | B | 0.0000 | |
| 370 | K | B | -0.4848 | |
| 371 | I | B | 0.0000 | |
| 372 | A | B | 0.0000 | |
| 373 | A | B | 0.0000 | |
| 374 | P | B | 0.0000 | |
| 375 | G | B | 0.0000 | |
| 376 | V | B | -0.5825 | |
| 377 | N | B | -1.3974 | |
| 378 | I | B | 0.0000 | |
| 379 | L | B | 0.0000 | |
| 380 | S | B | 0.0000 | |
| 381 | T | B | 0.0000 | |
| 382 | L | B | 0.0000 | |
| 383 | N | B | 0.0000 | |
| 384 | S | B | -0.6766 | |
| 385 | G | B | -1.0184 | |
| 386 | T | B | -1.3174 | |
| 387 | K | B | -1.8735 | |
| 388 | S | B | -1.1279 | |
| 389 | P | B | -0.7577 | |
| 390 | A | B | -0.5929 | |
| 391 | A | B | -0.6291 | |
| 392 | D | B | -1.2278 | |
| 393 | S | B | -0.4926 | |
| 394 | Y | B | -0.0090 | |
| 395 | A | B | -0.0082 | |
| 396 | S | B | -0.7226 | |
| 397 | Y | B | -0.7104 | |
| 398 | N | B | -1.5326 | |
| 399 | G | B | 0.0000 | |
| 400 | T | B | 0.0000 | |
| 401 | S | B | -0.3350 | |
| 402 | M | B | 0.0000 | |
| 403 | A | B | 0.0000 | |
| 404 | T | B | 0.0000 | |
| 405 | P | B | 0.0000 | |
| 406 | H | B | 0.0000 | |
| 407 | V | B | 0.0000 | |
| 408 | A | B | 0.0000 | |
| 409 | G | B | 0.0000 | |
| 410 | T | B | 0.0000 | |
| 411 | V | B | 0.0000 | |
| 412 | A | B | 0.0000 | |
| 413 | L | B | 0.0000 | |
| 414 | M | B | 0.0000 | |
| 415 | L | B | 0.0000 | |
| 416 | A | B | -1.0581 | |
| 417 | A | B | -0.7037 | |
| 418 | N | B | -0.9230 | |
| 419 | G | B | -0.8675 | |
| 420 | S | B | -0.4747 | |
| 421 | L | B | -0.3711 | |
| 422 | T | B | -0.3422 | |
| 423 | P | B | -0.4768 | |
| 424 | S | B | -0.7416 | |
| 425 | Q | B | -0.9536 | |
| 426 | I | B | 0.0000 | |
| 427 | L | B | -0.8193 | |
| 428 | Q | B | -1.7786 | |
| 429 | K | B | -1.7169 | |
| 430 | L | B | 0.0000 | |
| 431 | Q | B | -1.0833 | |
| 432 | A | B | -0.7805 | |
| 433 | S | B | -0.6547 | |
| 434 | A | B | -0.4403 | |
| 435 | R | B | -0.2817 | |
| 436 | P | B | -0.3580 | |
| 437 | F | B | -0.4920 | |
| 438 | P | B | -0.5428 | |
| 439 | S | B | -0.6744 | |
| 440 | G | B | -1.0302 | |
| 441 | S | B | 0.0000 | |
| 442 | G | B | -1.2517 | |
| 443 | C | B | -0.8903 | |
| 444 | S | B | -0.3877 | |
| 445 | T | B | -0.3029 | |
| 446 | S | B | -0.3494 | |
| 447 | T | B | -0.4281 | |
| 448 | C | B | 0.0000 | |
| 449 | G | B | 0.0000 | |
| 450 | A | B | -0.4755 | |
| 451 | G | B | 0.0000 | |
| 452 | L | B | 0.0000 | |
| 453 | L | B | 0.0000 | |
| 454 | D | B | 0.0000 | |
| 455 | A | B | 0.0000 | |
| 456 | G | B | 0.0000 | |
| 457 | A | B | -0.7025 | |
| 458 | A | B | 0.0000 | |
| 459 | V | B | 0.0000 | |
| 460 | N | B | -1.4714 | |
| 461 | A | B | -1.0013 | |
| 462 | A | B | -1.0673 | |
| 463 | R | B | -1.2918 | |
| 464 | Q | B | 0.0000 | |
| 465 | H | B | -0.9846 | |
| 466 | H | B | -0.6725 | |
| 467 | H | B | 0.0000 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2562 | 3.5465 | View | CSV | PDB |
| 4.5 | -0.2834 | 3.4784 | View | CSV | PDB |
| 5.0 | -0.3135 | 3.4092 | View | CSV | PDB |
| 5.5 | -0.3422 | 3.34 | View | CSV | PDB |
| 6.0 | -0.3651 | 3.2709 | View | CSV | PDB |
| 6.5 | -0.3792 | 3.2029 | View | CSV | PDB |
| 7.0 | -0.3857 | 3.1381 | View | CSV | PDB |
| 7.5 | -0.3881 | 3.0816 | View | CSV | PDB |
| 8.0 | -0.3875 | 3.041 | View | CSV | PDB |
| 8.5 | -0.3828 | 3.0192 | View | CSV | PDB |
| 9.0 | -0.3725 | 3.0103 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine