| Chain sequence(s) | MTIRHQGQQYRPRMAFLQKIEALVKDMQNPETGVRMHNQRVLVTSVPHAMTGGDVLQWITQRLWISNLEAQNLGNFIVKYGYIYPLQDPKNLILKPDSSLYRFQTPYFWPTQQWPAEDTDYAIYLAKRNIKKKGILEEYEKENYDFLNKKINYKWDFVIMQAKEQYRTGKERNKADRYALDCQEKAYWLVHRSPPGMNNVLDYGLDRVTNPNEVKKQTVTAVRKEIMYYQQALMRSTVKSSVSLGGIVKYSEQFSSNDAIMSGCLPSNPWITDDTQFWDLNAKLVEIPTKMRVERWAFNFSELIRDPKGRQSFQYFLKKEFSGENLGFWEACEDLKYGDQSKVKEKAEEIYKLFLAPGARRWINIDGKTMDITVKGLRHPHRYVLDAAQTHIYMLMKKDSYARYLKSPIYKEMLAKAIEPQETTKRSSTLPFMRRHLRSSPSPVILRQLEEEEKAREAANTVDITQPGQHLAPSPHLAVYTGTCVPPSPSSPFSPSCRSPRKPFASPSRFIRRPSIAICPSPSRVALEGSSGLEPKGEASWSGANSGPSVTENREPSADHSRPQPRAPPKARAALSLGRFLRRGCLASPVFARLSPKCPSVSHGKVQPLGDMGQQLPRLKPKKVANFFQIKMEMPTDSGTCLMDSDDPRAGESGDQTTEKEVICPWESLAEGKAG input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c86c6160e350f8/tmp/folded.pdb (00:19:10)
[INFO] Main: Simulation completed successfully. (00:22:05)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 1.2963 | |
| 2 | T | A | 0.7735 | |
| 3 | I | A | 0.8967 | |
| 4 | R | A | -1.6072 | |
| 5 | H | A | -2.0257 | |
| 6 | Q | A | -1.9975 | |
| 7 | G | A | -1.5125 | |
| 8 | Q | A | -1.1730 | |
| 9 | Q | A | -1.4237 | |
| 10 | Y | A | -0.9549 | |
| 11 | R | A | -1.0101 | |
| 12 | P | A | -1.3189 | |
| 13 | R | A | -2.2301 | |
| 14 | M | A | 0.0000 | |
| 15 | A | A | -0.8346 | |
| 16 | F | A | -0.5756 | |
| 17 | L | A | 0.0000 | |
| 18 | Q | A | -1.9578 | |
| 19 | K | A | -2.2424 | |
| 20 | I | A | -1.0761 | |
| 21 | E | A | -1.9495 | |
| 22 | A | A | -1.8027 | |
| 23 | L | A | -1.4953 | |
| 24 | V | A | 0.0000 | |
| 25 | K | A | -2.7319 | |
| 26 | D | A | -2.3268 | |
| 27 | M | A | 0.0000 | |
| 28 | Q | A | -2.4498 | |
| 29 | N | A | -2.6075 | |
| 30 | P | A | -1.9658 | |
| 31 | E | A | -2.5934 | |
| 32 | T | A | -1.8754 | |
| 33 | G | A | -2.1428 | |
| 34 | V | A | 0.0000 | |
| 35 | R | A | -2.5557 | |
| 36 | M | A | -1.4672 | |
| 37 | H | A | -1.8388 | |
| 38 | N | A | -2.4110 | |
| 39 | Q | A | -1.6259 | |
| 40 | R | A | -1.2788 | |
| 41 | V | A | 1.1487 | |
| 42 | L | A | 2.4023 | |
| 43 | V | A | 2.4253 | |
| 44 | T | A | 0.5255 | |
| 45 | S | A | -0.3409 | |
| 46 | V | A | -0.5515 | |
| 47 | P | A | -1.1210 | |
| 48 | H | A | -1.8140 | |
| 49 | A | A | 0.0000 | |
| 50 | M | A | 0.0000 | |
| 51 | T | A | 0.0000 | |
| 52 | G | A | 0.0000 | |
| 53 | G | A | -1.2748 | |
| 54 | D | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | L | A | -1.3336 | |
| 57 | Q | A | -2.0033 | |
| 58 | W | A | -1.2516 | |
| 59 | I | A | 0.0000 | |
| 60 | T | A | -1.0382 | |
| 61 | Q | A | -1.5103 | |
| 62 | R | A | -1.1506 | |
| 63 | L | A | 0.1706 | |
| 64 | W | A | 0.5848 | |
| 65 | I | A | 0.0707 | |
| 66 | S | A | -0.6174 | |
| 67 | N | A | -1.3768 | |
| 68 | L | A | -0.1074 | |
| 69 | E | A | -1.6366 | |
| 70 | A | A | 0.0000 | |
| 71 | Q | A | -0.8644 | |
| 72 | N | A | -0.8194 | |
| 73 | L | A | -0.0424 | |
| 74 | G | A | 0.0000 | |
| 75 | N | A | 0.1595 | |
| 76 | F | A | 1.2513 | |
| 77 | I | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | K | A | 0.0474 | |
| 80 | Y | A | 0.3231 | |
| 81 | G | A | 0.0000 | |
| 82 | Y | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | Y | A | 0.0000 | |
| 85 | P | A | 0.0000 | |
| 86 | L | A | -0.6305 | |
| 87 | Q | A | -2.1815 | |
| 88 | D | A | -2.8968 | |
| 89 | P | A | -2.1826 | |
| 90 | K | A | -2.6295 | |
| 91 | N | A | -1.9827 | |
| 92 | L | A | -0.7411 | |
| 93 | I | A | -0.1073 | |
| 94 | L | A | 0.0000 | |
| 95 | K | A | -1.0648 | |
| 96 | P | A | -1.3981 | |
| 97 | D | A | -1.5047 | |
| 98 | S | A | -0.8778 | |
| 99 | S | A | -1.0258 | |
| 100 | L | A | -0.6341 | |
| 101 | Y | A | 0.0000 | |
| 102 | R | A | 0.0000 | |
| 103 | F | A | -0.1267 | |
| 104 | Q | A | 0.0000 | |
| 105 | T | A | 0.4367 | |
| 106 | P | A | 0.3822 | |
| 107 | Y | A | 1.3007 | |
| 108 | F | A | 0.7050 | |
| 109 | W | A | 0.0000 | |
| 110 | P | A | 0.0000 | |
| 111 | T | A | -0.0287 | |
| 112 | Q | A | -0.9862 | |
| 113 | Q | A | -0.8838 | |
| 114 | W | A | 0.2434 | |
| 115 | P | A | -0.4650 | |
| 116 | A | A | 0.0000 | |
| 117 | E | A | -2.2774 | |
| 118 | D | A | -1.8163 | |
| 119 | T | A | -1.6202 | |
| 120 | D | A | -2.0810 | |
| 121 | Y | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | I | A | 0.0000 | |
| 124 | Y | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | K | A | -1.0653 | |
| 128 | R | A | -1.1001 | |
| 129 | N | A | -1.4182 | |
| 130 | I | A | -1.0056 | |
| 131 | K | A | -1.7805 | |
| 132 | K | A | -2.6470 | |
| 133 | K | A | -2.5683 | |
| 134 | G | A | -2.0211 | |
| 135 | I | A | -1.2780 | |
| 136 | L | A | 0.0000 | |
| 137 | E | A | -3.0159 | |
| 138 | E | A | -3.3503 | |
| 139 | Y | A | -2.5078 | |
| 140 | E | A | 0.0000 | |
| 141 | K | A | -3.0747 | |
| 142 | E | A | -3.1921 | |
| 143 | N | A | -2.0987 | |
| 144 | Y | A | -1.8910 | |
| 145 | D | A | -2.5763 | |
| 146 | F | A | -1.4017 | |
| 147 | L | A | 0.0000 | |
| 148 | N | A | -2.2239 | |
| 149 | K | A | -2.6827 | |
| 150 | K | A | -2.3190 | |
| 151 | I | A | 0.0000 | |
| 152 | N | A | -1.9619 | |
| 153 | Y | A | -0.3418 | |
| 154 | K | A | -1.0525 | |
| 155 | W | A | -1.2065 | |
| 156 | D | A | -1.3436 | |
| 157 | F | A | -0.2824 | |
| 158 | V | A | 0.0000 | |
| 159 | I | A | -0.2754 | |
| 160 | M | A | -0.1364 | |
| 161 | Q | A | -0.8353 | |
| 162 | A | A | 0.0000 | |
| 163 | K | A | -1.7704 | |
| 164 | E | A | -1.7823 | |
| 165 | Q | A | -1.4037 | |
| 166 | Y | A | -2.0371 | |
| 167 | R | A | -3.4084 | |
| 168 | T | A | -2.4537 | |
| 169 | G | A | -2.9719 | |
| 170 | K | A | -4.0196 | |
| 171 | E | A | -4.1074 | |
| 172 | R | A | -3.7698 | |
| 173 | N | A | -3.6257 | |
| 174 | K | A | -3.1888 | |
| 175 | A | A | 0.0000 | |
| 176 | D | A | -2.3486 | |
| 177 | R | A | -2.2147 | |
| 178 | Y | A | -0.0642 | |
| 179 | A | A | -0.1177 | |
| 180 | L | A | 0.0095 | |
| 181 | D | A | -0.3993 | |
| 182 | C | A | -0.0815 | |
| 183 | Q | A | -0.0484 | |
| 184 | E | A | -0.3013 | |
| 185 | K | A | -0.8720 | |
| 186 | A | A | 0.0000 | |
| 187 | Y | A | 0.0112 | |
| 188 | W | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | H | A | -0.6866 | |
| 192 | R | A | -0.6517 | |
| 193 | S | A | -1.0275 | |
| 194 | P | A | -1.3034 | |
| 195 | P | A | -0.7876 | |
| 196 | G | A | -0.9788 | |
| 197 | M | A | -1.3485 | |
| 198 | N | A | -2.1341 | |
| 199 | N | A | -2.3298 | |
| 200 | V | A | -0.9588 | |
| 201 | L | A | -1.1420 | |
| 202 | D | A | -1.8297 | |
| 203 | Y | A | -0.5942 | |
| 204 | G | A | -0.2208 | |
| 205 | L | A | 0.6674 | |
| 206 | D | A | -0.5769 | |
| 207 | R | A | -0.7860 | |
| 208 | V | A | 0.4172 | |
| 209 | T | A | -0.4977 | |
| 210 | N | A | -1.3829 | |
| 211 | P | A | -1.4253 | |
| 212 | N | A | -1.8317 | |
| 213 | E | A | -1.6320 | |
| 214 | V | A | -0.4837 | |
| 215 | K | A | -2.5395 | |
| 216 | K | A | -2.6353 | |
| 217 | Q | A | -1.6371 | |
| 218 | T | A | -0.6179 | |
| 219 | V | A | 0.7334 | |
| 220 | T | A | -0.3571 | |
| 221 | A | A | -0.7566 | |
| 222 | V | A | 0.0130 | |
| 223 | R | A | -1.3219 | |
| 224 | K | A | -1.6206 | |
| 225 | E | A | -0.8403 | |
| 226 | I | A | 0.6166 | |
| 227 | M | A | 0.6032 | |
| 228 | Y | A | 1.3463 | |
| 229 | Y | A | 1.9294 | |
| 230 | Q | A | 0.7832 | |
| 231 | Q | A | 0.7623 | |
| 232 | A | A | 1.1836 | |
| 233 | L | A | 1.6332 | |
| 234 | M | A | 0.8236 | |
| 235 | R | A | -0.9570 | |
| 236 | S | A | -0.2646 | |
| 237 | T | A | -0.0983 | |
| 238 | V | A | 0.8046 | |
| 239 | K | A | -0.6378 | |
| 240 | S | A | -0.0124 | |
| 241 | S | A | 0.5930 | |
| 242 | V | A | 1.5610 | |
| 243 | S | A | 1.5600 | |
| 244 | L | A | 2.3963 | |
| 245 | G | A | 1.3601 | |
| 246 | G | A | 1.2544 | |
| 247 | I | A | 2.5414 | |
| 248 | V | A | 1.1812 | |
| 249 | K | A | -0.7955 | |
| 250 | Y | A | 0.6715 | |
| 251 | S | A | -0.4900 | |
| 252 | E | A | -2.0347 | |
| 253 | Q | A | -1.5086 | |
| 254 | F | A | -1.2354 | |
| 255 | S | A | -1.0345 | |
| 256 | S | A | -0.8676 | |
| 257 | N | A | -0.9570 | |
| 258 | D | A | -0.2533 | |
| 259 | A | A | 0.6020 | |
| 260 | I | A | 2.0111 | |
| 261 | M | A | 1.4588 | |
| 262 | S | A | 0.4111 | |
| 263 | G | A | 0.4031 | |
| 264 | C | A | 0.1974 | |
| 265 | L | A | -0.5531 | |
| 266 | P | A | -1.2392 | |
| 267 | S | A | -0.5383 | |
| 268 | N | A | 0.7257 | |
| 269 | P | A | 0.0000 | |
| 270 | W | A | 1.5048 | |
| 271 | I | A | 1.9562 | |
| 272 | T | A | 0.0347 | |
| 273 | D | A | -1.4936 | |
| 274 | D | A | -1.3313 | |
| 275 | T | A | -1.4603 | |
| 276 | Q | A | -1.6865 | |
| 277 | F | A | -0.4720 | |
| 278 | W | A | -0.9348 | |
| 279 | D | A | -2.0484 | |
| 280 | L | A | -1.0275 | |
| 281 | N | A | -0.9906 | |
| 282 | A | A | -1.3016 | |
| 283 | K | A | -1.8961 | |
| 284 | L | A | -0.7616 | |
| 285 | V | A | -1.0459 | |
| 286 | E | A | -1.5089 | |
| 287 | I | A | -0.3167 | |
| 288 | P | A | 0.0000 | |
| 289 | T | A | 0.0000 | |
| 290 | K | A | -1.2741 | |
| 291 | M | A | -0.9302 | |
| 292 | R | A | -1.0759 | |
| 293 | V | A | 0.0000 | |
| 294 | E | A | -1.4608 | |
| 295 | R | A | -1.5374 | |
| 296 | W | A | 0.0000 | |
| 297 | A | A | -0.4468 | |
| 298 | F | A | -0.1616 | |
| 299 | N | A | -0.1758 | |
| 300 | F | A | 0.0000 | |
| 301 | S | A | -0.7070 | |
| 302 | E | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | R | A | -2.0992 | |
| 306 | D | A | -1.8491 | |
| 307 | P | A | -1.4525 | |
| 308 | K | A | -1.5341 | |
| 309 | G | A | 0.0000 | |
| 310 | R | A | -1.4670 | |
| 311 | Q | A | -1.2876 | |
| 312 | S | A | -0.5576 | |
| 313 | F | A | 0.0000 | |
| 314 | Q | A | -1.2944 | |
| 315 | Y | A | -0.8026 | |
| 316 | F | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | K | A | -1.9576 | |
| 319 | K | A | -2.1160 | |
| 320 | E | A | -1.0546 | |
| 321 | F | A | 0.3725 | |
| 322 | S | A | -0.3904 | |
| 323 | G | A | -0.9257 | |
| 324 | E | A | -0.8554 | |
| 325 | N | A | -0.3712 | |
| 326 | L | A | 0.0000 | |
| 327 | G | A | -0.7193 | |
| 328 | F | A | 0.0000 | |
| 329 | W | A | -0.7595 | |
| 330 | E | A | -1.4343 | |
| 331 | A | A | -1.4104 | |
| 332 | C | A | 0.0000 | |
| 333 | E | A | -1.2857 | |
| 334 | D | A | -2.3203 | |
| 335 | L | A | 0.0000 | |
| 336 | K | A | -1.1230 | |
| 337 | Y | A | -0.1232 | |
| 338 | G | A | -1.8693 | |
| 339 | D | A | -3.0107 | |
| 340 | Q | A | -2.7997 | |
| 341 | S | A | -2.5973 | |
| 342 | K | A | -4.0279 | |
| 343 | V | A | 0.0000 | |
| 344 | K | A | -4.5469 | |
| 345 | E | A | -4.4396 | |
| 346 | K | A | -4.4279 | |
| 347 | A | A | 0.0000 | |
| 348 | E | A | -4.1210 | |
| 349 | E | A | -3.9385 | |
| 350 | I | A | 0.0000 | |
| 351 | Y | A | -1.6995 | |
| 352 | K | A | -2.9006 | |
| 353 | L | A | -1.8717 | |
| 354 | F | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | A | A | -1.0613 | |
| 357 | P | A | -0.6899 | |
| 358 | G | A | -1.0793 | |
| 359 | A | A | -1.3309 | |
| 360 | R | A | -2.2441 | |
| 361 | R | A | -1.4537 | |
| 362 | W | A | -0.4293 | |
| 363 | I | A | 0.0000 | |
| 364 | N | A | -1.2462 | |
| 365 | I | A | -1.0902 | |
| 366 | D | A | -2.1677 | |
| 367 | G | A | -1.9128 | |
| 368 | K | A | -2.0893 | |
| 369 | T | A | 0.0000 | |
| 370 | M | A | -0.9318 | |
| 371 | D | A | -1.1363 | |
| 372 | I | A | 0.0755 | |
| 373 | T | A | 0.0000 | |
| 374 | V | A | -0.4790 | |
| 375 | K | A | -1.4213 | |
| 376 | G | A | -1.0122 | |
| 377 | L | A | -1.8247 | |
| 378 | R | A | -2.7472 | |
| 379 | H | A | -2.4242 | |
| 380 | P | A | -2.5557 | |
| 381 | H | A | -2.0780 | |
| 382 | R | A | -1.9639 | |
| 383 | Y | A | 0.3672 | |
| 384 | V | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | D | A | -0.2622 | |
| 387 | A | A | -0.0036 | |
| 388 | A | A | 0.0000 | |
| 389 | Q | A | 0.0000 | |
| 390 | T | A | 0.0231 | |
| 391 | H | A | -0.2020 | |
| 392 | I | A | 0.0000 | |
| 393 | Y | A | 0.2005 | |
| 394 | M | A | -0.1221 | |
| 395 | L | A | -0.2228 | |
| 396 | M | A | 0.0000 | |
| 397 | K | A | -1.5432 | |
| 398 | K | A | -2.4297 | |
| 399 | D | A | -2.4262 | |
| 400 | S | A | 0.0000 | |
| 401 | Y | A | 0.0000 | |
| 402 | A | A | -1.6882 | |
| 403 | R | A | -1.9437 | |
| 404 | Y | A | 0.0000 | |
| 405 | L | A | -1.2151 | |
| 406 | K | A | -2.1897 | |
| 407 | S | A | 0.0000 | |
| 408 | P | A | -1.5338 | |
| 409 | I | A | -1.0472 | |
| 410 | Y | A | 0.0000 | |
| 411 | K | A | -2.8832 | |
| 412 | E | A | -2.8279 | |
| 413 | M | A | -1.6104 | |
| 414 | L | A | -1.3711 | |
| 415 | A | A | -1.6873 | |
| 416 | K | A | -2.0512 | |
| 417 | A | A | -1.4217 | |
| 418 | I | A | -0.5871 | |
| 419 | E | A | -2.1450 | |
| 420 | P | A | 0.0000 | |
| 421 | Q | A | -2.3018 | |
| 422 | E | A | -2.6675 | |
| 423 | T | A | -2.0730 | |
| 424 | T | A | -2.1679 | |
| 425 | K | A | -2.9943 | |
| 426 | R | A | -2.8716 | |
| 427 | S | A | -1.6344 | |
| 428 | S | A | -0.9499 | |
| 429 | T | A | 0.0683 | |
| 430 | L | A | 1.3354 | |
| 431 | P | A | 1.0292 | |
| 432 | F | A | 1.8403 | |
| 433 | M | A | 0.5360 | |
| 434 | R | A | -1.7575 | |
| 435 | R | A | -2.7647 | |
| 436 | H | A | -2.0430 | |
| 437 | L | A | -0.9912 | |
| 438 | R | A | -2.0705 | |
| 439 | S | A | -0.9045 | |
| 440 | S | A | -0.3750 | |
| 441 | P | A | 0.1108 | |
| 442 | S | A | 0.6686 | |
| 443 | P | A | 0.8311 | |
| 444 | V | A | 1.9414 | |
| 445 | I | A | 1.9935 | |
| 446 | L | A | 1.0309 | |
| 447 | R | A | -1.2433 | |
| 448 | Q | A | -1.2951 | |
| 449 | L | A | -0.3424 | |
| 450 | E | A | -2.3582 | |
| 451 | E | A | -3.8878 | |
| 452 | E | A | -4.1995 | |
| 453 | E | A | -3.7229 | |
| 454 | K | A | -4.3939 | |
| 455 | A | A | -3.4425 | |
| 456 | R | A | -4.3781 | |
| 457 | E | A | -3.6867 | |
| 458 | A | A | -2.0479 | |
| 459 | A | A | -1.6946 | |
| 460 | N | A | -2.0624 | |
| 461 | T | A | -0.6721 | |
| 462 | V | A | 0.8635 | |
| 463 | D | A | -0.4005 | |
| 464 | I | A | 1.1083 | |
| 465 | T | A | -0.0413 | |
| 466 | Q | A | -1.3508 | |
| 467 | P | A | -1.1465 | |
| 468 | G | A | -1.5687 | |
| 469 | Q | A | -1.7617 | |
| 470 | H | A | -0.9848 | |
| 471 | L | A | 0.6881 | |
| 472 | A | A | 0.3716 | |
| 473 | P | A | -0.2917 | |
| 474 | S | A | -0.3121 | |
| 475 | P | A | -0.5217 | |
| 476 | H | A | -0.2200 | |
| 477 | L | A | 1.5778 | |
| 478 | A | A | 1.7202 | |
| 479 | V | A | 2.6101 | |
| 480 | Y | A | 2.1896 | |
| 481 | T | A | 0.9042 | |
| 482 | G | A | 0.5717 | |
| 483 | T | A | 0.6475 | |
| 484 | C | A | 1.3073 | |
| 485 | V | A | 1.8385 | |
| 486 | P | A | 0.5769 | |
| 487 | P | A | -0.0162 | |
| 488 | S | A | -0.3912 | |
| 489 | P | A | -0.6307 | |
| 490 | S | A | -0.5902 | |
| 491 | S | A | -0.1326 | |
| 492 | P | A | 0.4565 | |
| 493 | F | A | 1.6164 | |
| 494 | S | A | 0.4992 | |
| 495 | P | A | -0.1520 | |
| 496 | S | A | -0.4370 | |
| 497 | C | A | -0.3490 | |
| 498 | R | A | -1.7289 | |
| 499 | S | A | -1.4254 | |
| 500 | P | A | -2.0176 | |
| 501 | R | A | -2.6663 | |
| 502 | K | A | -2.3106 | |
| 503 | P | A | -0.6258 | |
| 504 | F | A | 1.1097 | |
| 505 | A | A | 0.5181 | |
| 506 | S | A | -0.0686 | |
| 507 | P | A | -0.4409 | |
| 508 | S | A | -0.4568 | |
| 509 | R | A | -0.7258 | |
| 510 | F | A | 1.1231 | |
| 511 | I | A | 0.8880 | |
| 512 | R | A | -1.5310 | |
| 513 | R | A | -1.7673 | |
| 514 | P | A | -0.8778 | |
| 515 | S | A | 0.3043 | |
| 516 | I | A | 2.2541 | |
| 517 | A | A | 2.1142 | |
| 518 | I | A | 2.7987 | |
| 519 | C | A | 1.7804 | |
| 520 | P | A | 0.4275 | |
| 521 | S | A | -0.1647 | |
| 522 | P | A | -0.7245 | |
| 523 | S | A | -0.8545 | |
| 524 | R | A | -0.9509 | |
| 525 | V | A | 0.9718 | |
| 526 | A | A | 0.6131 | |
| 527 | L | A | 0.7327 | |
| 528 | E | A | -1.1437 | |
| 529 | G | A | -1.2151 | |
| 530 | S | A | -0.9324 | |
| 531 | S | A | -0.3155 | |
| 532 | G | A | -0.2860 | |
| 533 | L | A | 0.3301 | |
| 534 | E | A | -1.7065 | |
| 535 | P | A | -1.8579 | |
| 536 | K | A | -2.9045 | |
| 537 | G | A | -2.2073 | |
| 538 | E | A | -2.4595 | |
| 539 | A | A | -0.7781 | |
| 540 | S | A | -0.0271 | |
| 541 | W | A | 0.8961 | |
| 542 | S | A | 0.0968 | |
| 543 | G | A | -0.5914 | |
| 544 | A | A | -0.9194 | |
| 545 | N | A | -1.5516 | |
| 546 | S | A | -1.1188 | |
| 547 | G | A | -1.0269 | |
| 548 | P | A | -0.3166 | |
| 549 | S | A | 0.3937 | |
| 550 | V | A | 1.1964 | |
| 551 | T | A | -0.4257 | |
| 552 | E | A | -2.4984 | |
| 553 | N | A | -3.4141 | |
| 554 | R | A | -3.7783 | |
| 555 | E | A | -3.1225 | |
| 556 | P | A | -1.7755 | |
| 557 | S | A | -1.1122 | |
| 558 | A | A | -1.4287 | |
| 559 | D | A | -2.3183 | |
| 560 | H | A | -2.3144 | |
| 561 | S | A | -2.1083 | |
| 562 | R | A | -2.5678 | |
| 563 | P | A | -1.9710 | |
| 564 | Q | A | -2.2245 | |
| 565 | P | A | -1.7885 | |
| 566 | R | A | -2.2362 | |
| 567 | A | A | -1.0570 | |
| 568 | P | A | -1.0405 | |
| 569 | P | A | -1.1581 | |
| 570 | K | A | -2.2065 | |
| 571 | A | A | -1.7867 | |
| 572 | R | A | -2.1104 | |
| 573 | A | A | -0.6551 | |
| 574 | A | A | 0.3216 | |
| 575 | L | A | 1.7821 | |
| 576 | S | A | 0.9660 | |
| 577 | L | A | 1.3284 | |
| 578 | G | A | 0.2938 | |
| 579 | R | A | -0.6938 | |
| 580 | F | A | 1.3318 | |
| 581 | L | A | 0.6957 | |
| 582 | R | A | -1.8052 | |
| 583 | R | A | -1.8725 | |
| 584 | G | A | -0.8069 | |
| 585 | C | A | 0.7294 | |
| 586 | L | A | 1.6265 | |
| 587 | A | A | 0.9981 | |
| 588 | S | A | 0.8229 | |
| 589 | P | A | 1.2729 | |
| 590 | V | A | 2.3319 | |
| 591 | F | A | 2.4784 | |
| 592 | A | A | 0.8770 | |
| 593 | R | A | -0.4670 | |
| 594 | L | A | 0.5577 | |
| 595 | S | A | -0.3502 | |
| 596 | P | A | -0.8624 | |
| 597 | K | A | -1.4062 | |
| 598 | C | A | -0.1653 | |
| 599 | P | A | -0.0372 | |
| 600 | S | A | 0.6686 | |
| 601 | V | A | 1.3972 | |
| 602 | S | A | 0.0029 | |
| 603 | H | A | -1.1188 | |
| 604 | G | A | -1.5233 | |
| 605 | K | A | -1.5707 | |
| 606 | V | A | 0.2848 | |
| 607 | Q | A | -0.6141 | |
| 608 | P | A | 0.0342 | |
| 609 | L | A | 0.8204 | |
| 610 | G | A | -0.4273 | |
| 611 | D | A | -1.4546 | |
| 612 | M | A | -0.4322 | |
| 613 | G | A | -1.2153 | |
| 614 | Q | A | -1.5295 | |
| 615 | Q | A | -1.4009 | |
| 616 | L | A | 0.1590 | |
| 617 | P | A | -0.7044 | |
| 618 | R | A | -1.4883 | |
| 619 | L | A | -0.3220 | |
| 620 | K | A | -2.2933 | |
| 621 | P | A | -1.8950 | |
| 622 | K | A | -2.4188 | |
| 623 | K | A | -2.1122 | |
| 624 | V | A | 0.3361 | |
| 625 | A | A | -0.1282 | |
| 626 | N | A | -0.5040 | |
| 627 | F | A | 1.0416 | |
| 628 | F | A | 1.2407 | |
| 629 | Q | A | -0.1092 | |
| 630 | I | A | 0.5754 | |
| 631 | K | A | -1.0827 | |
| 632 | M | A | -0.1676 | |
| 633 | E | A | -1.1317 | |
| 634 | M | A | -0.0879 | |
| 635 | P | A | -0.6299 | |
| 636 | T | A | -1.1162 | |
| 637 | D | A | -1.9888 | |
| 638 | S | A | -1.2760 | |
| 639 | G | A | -0.7006 | |
| 640 | T | A | 0.3080 | |
| 641 | C | A | 1.5599 | |
| 642 | L | A | 1.8978 | |
| 643 | M | A | 1.0601 | |
| 644 | D | A | -1.6048 | |
| 645 | S | A | -2.0894 | |
| 646 | D | A | -3.2661 | |
| 647 | D | A | -3.3820 | |
| 648 | P | A | -2.3953 | |
| 649 | R | A | -2.3846 | |
| 650 | A | A | -1.5834 | |
| 651 | G | A | -1.8182 | |
| 652 | E | A | -2.4568 | |
| 653 | S | A | -2.0007 | |
| 654 | G | A | -2.2957 | |
| 655 | D | A | -2.8853 | |
| 656 | Q | A | -2.5192 | |
| 657 | T | A | -1.9802 | |
| 658 | T | A | -2.3589 | |
| 659 | E | A | -3.1655 | |
| 660 | K | A | -2.7206 | |
| 661 | E | A | -1.6653 | |
| 662 | V | A | 1.3199 | |
| 663 | I | A | 2.3269 | |
| 664 | C | A | 1.8183 | |
| 665 | P | A | 0.9043 | |
| 666 | W | A | 0.5811 | |
| 667 | E | A | -0.6937 | |
| 668 | S | A | -0.2742 | |
| 669 | L | A | 0.5167 | |
| 670 | A | A | -0.6405 | |
| 671 | E | A | -2.0465 | |
| 672 | G | A | -2.1271 | |
| 673 | K | A | -2.3767 | |
| 674 | A | A | -1.1050 | |
| 675 | G | A | -0.7834 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.5897 | 5.0403 | View | CSV | PDB |
| 4.5 | -0.6639 | 4.956 | View | CSV | PDB |
| 5.0 | -0.7542 | 4.9486 | View | CSV | PDB |
| 5.5 | -0.8406 | 4.9486 | View | CSV | PDB |
| 6.0 | -0.9008 | 4.9486 | View | CSV | PDB |
| 6.5 | -0.9204 | 4.9486 | View | CSV | PDB |
| 7.0 | -0.9016 | 4.9486 | View | CSV | PDB |
| 7.5 | -0.8583 | 4.9486 | View | CSV | PDB |
| 8.0 | -0.8017 | 4.9486 | View | CSV | PDB |
| 8.5 | -0.736 | 4.9486 | View | CSV | PDB |
| 9.0 | -0.6615 | 4.9486 | 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