| Chain sequence(s) |
A: FDDTAFAATYYTALGNNTFRDLALAHFSQLAQSAFFNNAANAVNNAANFARRHVADPDAFGHDDSAQTAFGSRFHNVPNLSNTYGDAANHHSLNNPNRWQHFLSHADADPGHQSQQFDPQSAHAQYSSDSQAFRRSFFYRVASSYPFFDPTALFYYAQSFVGIFDQHHQSDNVSQHFFPSFGQLQGQIQQQNFGSYMYGYMIQHFGQQTLYMYYVVQYSGRFPSADFDYVQQYVSGATSVYVYNARGDYLAATAGAFSLTDWVHNNYDGISSGLSSHHKKSPYSRYYMIYTVSNDSIPKNVKPYSSSFVNDPNIISKYKKDPKGFLNRFAYSYARQNPDLANIYYMRYVSTYRSKLSSMGKKSDPYSMIKGVYSELDKYKEKFKPVVKKYMEEGKRYGEKGFTYYYYVRVTRKYPEVSVETYVEFSIKYGEYYSIMYGYPEEKRYPYFYEYAYLVYTELCAYEYKNPRDPRLREICESSFYTMIENFLSLEPSDDYTPKPFDESKFTFTPKIFELSPEEQFKEKAKWLVELIKTYPNISDEKLEEVLKMFEEFLKKCGSSSDKEACFEKLNPEFIKKVKELCS
input PDB |
| Selected Chain(s) | A |
| 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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:34)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/68eb8861d02c48b/tmp/folded.pdb (00:11:34)
[INFO] Main: Simulation completed successfully. (00:18:58)
|
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 |
|---|---|---|---|---|
| 1 | F | A | 1.1466 | |
| 2 | D | A | -0.7531 | |
| 3 | D | A | -1.2755 | |
| 4 | T | A | -1.0108 | |
| 5 | A | A | -0.3189 | |
| 6 | F | A | -0.0989 | |
| 7 | A | A | 0.0000 | |
| 8 | A | A | -0.4002 | |
| 9 | T | A | 0.4051 | |
| 10 | Y | A | 0.0000 | |
| 11 | Y | A | 0.0000 | |
| 12 | T | A | -0.3410 | |
| 13 | A | A | 0.1008 | |
| 14 | L | A | 0.0000 | |
| 15 | G | A | -0.9137 | |
| 16 | N | A | -1.8224 | |
| 17 | N | A | -1.9055 | |
| 18 | T | A | 0.0000 | |
| 19 | F | A | 0.0000 | |
| 20 | R | A | -1.4138 | |
| 21 | D | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | A | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | L | A | -0.0750 | |
| 31 | A | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | S | A | 0.1472 | |
| 34 | A | A | 0.4895 | |
| 35 | F | A | 1.5650 | |
| 36 | F | A | 0.3253 | |
| 37 | N | A | -0.9531 | |
| 38 | N | A | -1.0526 | |
| 39 | A | A | 0.0000 | |
| 40 | A | A | -1.2347 | |
| 41 | N | A | -2.3669 | |
| 42 | A | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -1.9110 | |
| 45 | N | A | -2.4924 | |
| 46 | A | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | N | A | -2.2433 | |
| 49 | F | A | -1.5142 | |
| 50 | A | A | 0.0000 | |
| 51 | R | A | -2.9662 | |
| 52 | R | A | -2.6992 | |
| 53 | H | A | 0.0000 | |
| 54 | V | A | -1.1134 | |
| 55 | A | A | -1.6830 | |
| 56 | D | A | -2.7227 | |
| 57 | P | A | -2.1650 | |
| 58 | D | A | -2.4585 | |
| 59 | A | A | -1.5416 | |
| 60 | F | A | -1.4745 | |
| 61 | G | A | -1.9859 | |
| 62 | H | A | -2.6407 | |
| 63 | D | A | -2.9750 | |
| 64 | D | A | -2.5777 | |
| 65 | S | A | -1.5938 | |
| 66 | A | A | 0.0000 | |
| 67 | Q | A | -0.7992 | |
| 68 | T | A | -1.2430 | |
| 69 | A | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | S | A | -0.9848 | |
| 73 | R | A | -1.1762 | |
| 74 | F | A | 0.0000 | |
| 75 | H | A | -1.5162 | |
| 76 | N | A | -2.1155 | |
| 77 | V | A | 0.0000 | |
| 78 | P | A | -1.4644 | |
| 79 | N | A | -2.1493 | |
| 80 | L | A | 0.0000 | |
| 81 | S | A | -1.8999 | |
| 82 | N | A | -2.0988 | |
| 83 | T | A | -1.3147 | |
| 84 | Y | A | -1.3220 | |
| 85 | G | A | -1.9144 | |
| 86 | D | A | -2.6457 | |
| 87 | A | A | -1.5752 | |
| 88 | A | A | 0.0000 | |
| 89 | N | A | -2.2895 | |
| 90 | H | A | 0.0000 | |
| 91 | H | A | -1.6249 | |
| 92 | S | A | -1.1741 | |
| 93 | L | A | -1.4594 | |
| 94 | N | A | -2.0901 | |
| 95 | N | A | -2.1442 | |
| 96 | P | A | -1.8976 | |
| 97 | N | A | -2.2453 | |
| 98 | R | A | -1.9258 | |
| 99 | W | A | 0.0000 | |
| 100 | Q | A | -1.3800 | |
| 101 | H | A | -1.2929 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.6124 | |
| 104 | S | A | -1.1039 | |
| 105 | H | A | -1.5005 | |
| 106 | A | A | -1.3571 | |
| 107 | D | A | -2.4404 | |
| 108 | A | A | -1.7181 | |
| 109 | D | A | -2.6812 | |
| 110 | P | A | -1.8233 | |
| 111 | G | A | -1.7227 | |
| 112 | H | A | -1.6978 | |
| 113 | Q | A | -2.0380 | |
| 114 | S | A | -1.6290 | |
| 115 | Q | A | -2.3261 | |
| 116 | Q | A | -2.0980 | |
| 117 | F | A | -1.2139 | |
| 118 | D | A | -1.9799 | |
| 119 | P | A | -1.4221 | |
| 120 | Q | A | -1.7798 | |
| 121 | S | A | -1.3022 | |
| 122 | A | A | 0.0000 | |
| 123 | H | A | -1.5700 | |
| 124 | A | A | -0.9477 | |
| 125 | Q | A | -1.2909 | |
| 126 | Y | A | -1.2821 | |
| 127 | S | A | -0.9373 | |
| 128 | S | A | -1.0862 | |
| 129 | D | A | -1.6917 | |
| 130 | S | A | -1.5617 | |
| 131 | Q | A | -2.0077 | |
| 132 | A | A | -1.2841 | |
| 133 | F | A | 0.0000 | |
| 134 | R | A | -1.2956 | |
| 135 | R | A | -1.2231 | |
| 136 | S | A | -0.6209 | |
| 137 | F | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | Y | A | 0.0090 | |
| 140 | R | A | -0.7695 | |
| 141 | V | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | Y | A | -0.4109 | |
| 146 | P | A | 0.0000 | |
| 147 | F | A | 0.4656 | |
| 148 | F | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | Y | A | -0.0242 | |
| 156 | Y | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | Q | A | -0.8860 | |
| 159 | S | A | -0.4985 | |
| 160 | F | A | 0.0000 | |
| 161 | V | A | -0.9424 | |
| 162 | G | A | -1.2527 | |
| 163 | I | A | -0.7919 | |
| 164 | F | A | 0.0000 | |
| 165 | D | A | -2.4211 | |
| 166 | Q | A | -2.2884 | |
| 167 | H | A | -2.2039 | |
| 168 | H | A | -2.1414 | |
| 169 | Q | A | -2.3725 | |
| 170 | S | A | -2.4375 | |
| 171 | D | A | -2.7768 | |
| 172 | N | A | -2.5192 | |
| 173 | V | A | -1.8629 | |
| 174 | S | A | -1.3422 | |
| 175 | Q | A | -1.8408 | |
| 176 | H | A | -1.5789 | |
| 177 | F | A | 0.0000 | |
| 178 | F | A | 0.1981 | |
| 179 | P | A | -0.6205 | |
| 180 | S | A | -0.5554 | |
| 181 | F | A | -0.2849 | |
| 182 | G | A | -0.8409 | |
| 183 | Q | A | -1.5330 | |
| 184 | L | A | 0.0000 | |
| 185 | Q | A | -1.3613 | |
| 186 | G | A | -1.3355 | |
| 187 | Q | A | -1.2606 | |
| 188 | I | A | 0.0000 | |
| 189 | Q | A | -1.0517 | |
| 190 | Q | A | -1.0933 | |
| 191 | Q | A | -0.6571 | |
| 192 | N | A | 0.0000 | |
| 193 | F | A | -0.0803 | |
| 194 | G | A | -0.1096 | |
| 195 | S | A | 0.0000 | |
| 196 | Y | A | 0.3479 | |
| 197 | M | A | 0.0000 | |
| 198 | Y | A | 0.0652 | |
| 199 | G | A | -0.2864 | |
| 200 | Y | A | 0.0000 | |
| 201 | M | A | 0.0000 | |
| 202 | I | A | -0.9686 | |
| 203 | Q | A | -1.4428 | |
| 204 | H | A | -1.1153 | |
| 205 | F | A | -0.7237 | |
| 206 | G | A | -1.0758 | |
| 207 | Q | A | -1.5688 | |
| 208 | Q | A | -1.7116 | |
| 209 | T | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | Y | A | -0.6522 | |
| 212 | M | A | 0.0000 | |
| 213 | Y | A | 0.0000 | |
| 214 | Y | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | Q | A | -0.3164 | |
| 218 | Y | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | R | A | -1.1360 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | S | A | -1.0323 | |
| 225 | A | A | 0.0000 | |
| 226 | D | A | -2.3531 | |
| 227 | F | A | 0.0000 | |
| 228 | D | A | -2.7596 | |
| 229 | Y | A | -1.5090 | |
| 230 | V | A | 0.0000 | |
| 231 | Q | A | -1.9776 | |
| 232 | Q | A | -1.5595 | |
| 233 | Y | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | S | A | -0.6554 | |
| 236 | G | A | -0.4490 | |
| 237 | A | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | S | A | -0.2934 | |
| 240 | V | A | 0.0000 | |
| 241 | Y | A | 0.0000 | |
| 242 | V | A | -0.2692 | |
| 243 | Y | A | -0.4104 | |
| 244 | N | A | 0.0000 | |
| 245 | A | A | -0.4194 | |
| 246 | R | A | -1.3623 | |
| 247 | G | A | 0.0000 | |
| 248 | D | A | 0.0000 | |
| 249 | Y | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | A | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | G | A | -0.0123 | |
| 256 | A | A | 0.0000 | |
| 257 | F | A | -0.3292 | |
| 258 | S | A | -0.4829 | |
| 259 | L | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | D | A | -2.1852 | |
| 262 | W | A | -1.3303 | |
| 263 | V | A | 0.0000 | |
| 264 | H | A | -1.9281 | |
| 265 | N | A | -2.2039 | |
| 266 | N | A | -1.6172 | |
| 267 | Y | A | -1.5293 | |
| 268 | D | A | -2.2223 | |
| 269 | G | A | -1.7122 | |
| 270 | I | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | S | A | -0.9373 | |
| 273 | G | A | -0.8595 | |
| 274 | L | A | 0.0000 | |
| 275 | S | A | -0.9781 | |
| 276 | S | A | -1.0704 | |
| 277 | H | A | 0.0000 | |
| 278 | H | A | -1.9337 | |
| 279 | K | A | -2.5672 | |
| 280 | K | A | -2.1777 | |
| 281 | S | A | -1.1751 | |
| 282 | P | A | -0.9298 | |
| 283 | Y | A | -0.1503 | |
| 284 | S | A | -0.7258 | |
| 285 | R | A | -1.1002 | |
| 286 | Y | A | 0.0000 | |
| 287 | Y | A | 0.0000 | |
| 288 | M | A | -0.0114 | |
| 289 | I | A | 0.0000 | |
| 290 | Y | A | 0.2952 | |
| 291 | T | A | 0.0215 | |
| 292 | V | A | -0.2364 | |
| 293 | S | A | -0.8604 | |
| 294 | N | A | -1.7392 | |
| 295 | D | A | -1.0625 | |
| 296 | S | A | -0.7143 | |
| 297 | I | A | -0.5051 | |
| 298 | P | A | -1.2690 | |
| 299 | K | A | -2.3525 | |
| 300 | N | A | -2.3371 | |
| 301 | V | A | -1.6361 | |
| 302 | K | A | -2.2027 | |
| 303 | P | A | -1.0920 | |
| 304 | Y | A | -0.7654 | |
| 305 | S | A | -0.9046 | |
| 306 | S | A | -0.9600 | |
| 307 | S | A | -1.0962 | |
| 308 | F | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | N | A | -1.7690 | |
| 311 | D | A | -1.3988 | |
| 312 | P | A | -1.2604 | |
| 313 | N | A | -1.7677 | |
| 314 | I | A | 0.0000 | |
| 315 | I | A | -1.2115 | |
| 316 | S | A | -2.0157 | |
| 317 | K | A | -2.6430 | |
| 318 | Y | A | -2.6340 | |
| 319 | K | A | -3.1896 | |
| 320 | K | A | -3.3766 | |
| 321 | D | A | -2.7988 | |
| 322 | P | A | -2.5924 | |
| 323 | K | A | -2.9080 | |
| 324 | G | A | -1.9322 | |
| 325 | F | A | 0.0000 | |
| 326 | L | A | 0.0000 | |
| 327 | N | A | 0.0000 | |
| 328 | R | A | -2.0296 | |
| 329 | F | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | 0.0000 | |
| 332 | S | A | -0.9514 | |
| 333 | Y | A | -0.3369 | |
| 334 | A | A | 0.0000 | |
| 335 | R | A | -0.6688 | |
| 336 | Q | A | -0.7947 | |
| 337 | N | A | -0.9619 | |
| 338 | P | A | -1.3845 | |
| 339 | D | A | -2.4657 | |
| 340 | L | A | -1.0078 | |
| 341 | A | A | 0.0000 | |
| 342 | N | A | 0.0000 | |
| 343 | I | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | Y | A | 0.0000 | |
| 346 | M | A | 0.0000 | |
| 347 | R | A | -0.3583 | |
| 348 | Y | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | S | A | -0.8243 | |
| 351 | T | A | -0.8699 | |
| 352 | Y | A | 0.0000 | |
| 353 | R | A | -2.3617 | |
| 354 | S | A | -1.3676 | |
| 355 | K | A | -1.2768 | |
| 356 | L | A | 0.0000 | |
| 357 | S | A | -1.4378 | |
| 358 | S | A | -1.5662 | |
| 359 | M | A | 0.0000 | |
| 360 | G | A | -2.0049 | |
| 361 | K | A | -2.9758 | |
| 362 | K | A | -3.0526 | |
| 363 | S | A | -1.9866 | |
| 364 | D | A | -1.9637 | |
| 365 | P | A | -1.4708 | |
| 366 | Y | A | -0.8542 | |
| 367 | S | A | -0.9068 | |
| 368 | M | A | -0.9824 | |
| 369 | I | A | 0.0000 | |
| 370 | K | A | -1.8681 | |
| 371 | G | A | -1.0933 | |
| 372 | V | A | 0.0000 | |
| 373 | Y | A | -1.1534 | |
| 374 | S | A | -1.7565 | |
| 375 | E | A | -2.0509 | |
| 376 | L | A | 0.0000 | |
| 377 | D | A | -3.5372 | |
| 378 | K | A | -3.8205 | |
| 379 | Y | A | 0.0000 | |
| 380 | K | A | -3.0243 | |
| 381 | E | A | -3.9577 | |
| 382 | K | A | -3.1871 | |
| 383 | F | A | 0.0000 | |
| 384 | K | A | -2.3709 | |
| 385 | P | A | -1.8767 | |
| 386 | V | A | -1.5050 | |
| 387 | V | A | 0.0000 | |
| 388 | K | A | -2.8979 | |
| 389 | K | A | -2.8783 | |
| 390 | Y | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | E | A | -3.7306 | |
| 393 | E | A | -2.8435 | |
| 394 | G | A | 0.0000 | |
| 395 | K | A | -3.5066 | |
| 396 | R | A | -3.1784 | |
| 397 | Y | A | -1.8590 | |
| 398 | G | A | -2.4710 | |
| 399 | E | A | -2.8218 | |
| 400 | K | A | -2.3450 | |
| 401 | G | A | -1.5823 | |
| 402 | F | A | 0.0000 | |
| 403 | T | A | 0.0000 | |
| 404 | Y | A | -0.2720 | |
| 405 | Y | A | -0.1512 | |
| 406 | Y | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | R | A | -0.7533 | |
| 410 | V | A | 0.0000 | |
| 411 | T | A | 0.0000 | |
| 412 | R | A | -1.2835 | |
| 413 | K | A | 0.0000 | |
| 414 | Y | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | E | A | -1.3871 | |
| 417 | V | A | 0.0000 | |
| 418 | S | A | -1.0306 | |
| 419 | V | A | -1.1724 | |
| 420 | E | A | -2.3363 | |
| 421 | T | A | -1.2514 | |
| 422 | Y | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | E | A | -1.7085 | |
| 425 | F | A | -0.5782 | |
| 426 | S | A | 0.0000 | |
| 427 | I | A | -0.6440 | |
| 428 | K | A | -0.4867 | |
| 429 | Y | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | E | A | -1.0402 | |
| 432 | Y | A | 0.0000 | |
| 433 | Y | A | 0.0000 | |
| 434 | S | A | -0.7006 | |
| 435 | I | A | 0.5694 | |
| 436 | M | A | 0.0000 | |
| 437 | Y | A | -0.2966 | |
| 438 | G | A | -0.1775 | |
| 439 | Y | A | -0.4617 | |
| 440 | P | A | -1.6210 | |
| 441 | E | A | -3.0559 | |
| 442 | E | A | -3.2917 | |
| 443 | K | A | -2.4988 | |
| 444 | R | A | -1.4658 | |
| 445 | Y | A | -1.3454 | |
| 446 | P | A | -0.8539 | |
| 447 | Y | A | 0.1728 | |
| 448 | F | A | 0.0000 | |
| 449 | Y | A | 0.0000 | |
| 450 | E | A | -0.0386 | |
| 451 | Y | A | 0.0000 | |
| 452 | A | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | L | A | 0.1059 | |
| 455 | V | A | 0.0000 | |
| 456 | Y | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | E | A | -0.0521 | |
| 459 | L | A | 0.0000 | |
| 460 | C | A | 0.0000 | |
| 461 | A | A | -0.4316 | |
| 462 | Y | A | -0.7079 | |
| 463 | E | A | 0.0000 | |
| 464 | Y | A | -0.9641 | |
| 465 | K | A | -1.9800 | |
| 466 | N | A | -1.9558 | |
| 467 | P | A | -1.7452 | |
| 468 | R | A | -2.1657 | |
| 469 | D | A | 0.0000 | |
| 470 | P | A | -1.5287 | |
| 471 | R | A | -1.6068 | |
| 472 | L | A | 0.0000 | |
| 473 | R | A | -2.1289 | |
| 474 | E | A | -2.9004 | |
| 475 | I | A | 0.0000 | |
| 476 | C | A | 0.0000 | |
| 477 | E | A | -2.5783 | |
| 478 | S | A | -1.5203 | |
| 479 | S | A | -0.6762 | |
| 480 | F | A | 0.0000 | |
| 481 | Y | A | 0.0779 | |
| 482 | T | A | -0.1637 | |
| 483 | M | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | E | A | -0.5561 | |
| 486 | N | A | -0.9194 | |
| 487 | F | A | 0.0000 | |
| 488 | L | A | 0.0000 | |
| 489 | S | A | -0.8647 | |
| 490 | L | A | -1.0379 | |
| 491 | E | A | -2.2780 | |
| 492 | P | A | -2.0626 | |
| 493 | S | A | -2.2923 | |
| 494 | D | A | -3.1231 | |
| 495 | D | A | -2.6478 | |
| 496 | Y | A | -1.7359 | |
| 497 | T | A | -1.2418 | |
| 498 | P | A | -1.2619 | |
| 499 | K | A | -1.6268 | |
| 500 | P | A | -1.1773 | |
| 501 | F | A | -1.2607 | |
| 502 | D | A | -2.1753 | |
| 503 | E | A | -2.6158 | |
| 504 | S | A | -1.8399 | |
| 505 | K | A | -2.2887 | |
| 506 | F | A | 0.0000 | |
| 507 | T | A | -1.2623 | |
| 508 | F | A | 0.0000 | |
| 509 | T | A | -1.2802 | |
| 510 | P | A | -1.8396 | |
| 511 | K | A | -2.3653 | |
| 512 | I | A | 0.0000 | |
| 513 | F | A | -1.1022 | |
| 514 | E | A | -2.1601 | |
| 515 | L | A | -1.6335 | |
| 516 | S | A | -1.4596 | |
| 517 | P | A | -1.7806 | |
| 518 | E | A | -2.9035 | |
| 519 | E | A | -2.8886 | |
| 520 | Q | A | -2.4409 | |
| 521 | F | A | 0.0000 | |
| 522 | K | A | -2.7941 | |
| 523 | E | A | -2.3759 | |
| 524 | K | A | -1.8292 | |
| 525 | A | A | 0.0000 | |
| 526 | K | A | -2.0158 | |
| 527 | W | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | E | A | 0.0000 | |
| 531 | L | A | 0.0000 | |
| 532 | I | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | T | A | 0.0000 | |
| 535 | Y | A | -0.6445 | |
| 536 | P | A | -1.0711 | |
| 537 | N | A | -1.7896 | |
| 538 | I | A | 0.0000 | |
| 539 | S | A | -2.5292 | |
| 540 | D | A | -3.8198 | |
| 541 | E | A | -4.0844 | |
| 542 | K | A | -3.5099 | |
| 543 | L | A | 0.0000 | |
| 544 | E | A | -4.1870 | |
| 545 | E | A | -3.7543 | |
| 546 | V | A | 0.0000 | |
| 547 | L | A | -2.5859 | |
| 548 | K | A | -3.6219 | |
| 549 | M | A | -2.7011 | |
| 550 | F | A | 0.0000 | |
| 551 | E | A | -3.9015 | |
| 552 | E | A | -4.1443 | |
| 553 | F | A | 0.0000 | |
| 554 | L | A | 0.0000 | |
| 555 | K | A | -3.7813 | |
| 556 | K | A | -3.4820 | |
| 557 | C | A | 0.0000 | |
| 558 | G | A | -2.0247 | |
| 559 | S | A | -1.6706 | |
| 560 | S | A | -1.8982 | |
| 561 | S | A | -1.4347 | |
| 562 | D | A | -2.5481 | |
| 563 | K | A | -3.0615 | |
| 564 | E | A | -3.4830 | |
| 565 | A | A | -2.5845 | |
| 566 | C | A | -2.5904 | |
| 567 | F | A | 0.0000 | |
| 568 | E | A | -3.3905 | |
| 569 | K | A | -3.2372 | |
| 570 | L | A | 0.0000 | |
| 571 | N | A | 0.0000 | |
| 572 | P | A | -2.5302 | |
| 573 | E | A | -3.2413 | |
| 574 | F | A | 0.0000 | |
| 575 | I | A | 0.0000 | |
| 576 | K | A | -3.7260 | |
| 577 | K | A | -3.1676 | |
| 578 | V | A | 0.0000 | |
| 579 | K | A | -2.5384 | |
| 580 | E | A | -2.9845 | |
| 581 | L | A | -1.9191 | |
| 582 | C | A | -1.2467 | |
| 583 | S | A | -1.1448 |
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 | -0.8811 | 4.3449 | View | CSV | PDB |
| 4.5 | -0.957 | 4.2869 | View | CSV | PDB |
| 5.0 | -1.047 | 4.2869 | View | CSV | PDB |
| 5.5 | -1.1335 | 4.2869 | View | CSV | PDB |
| 6.0 | -1.2 | 4.2869 | View | CSV | PDB |
| 6.5 | -1.2362 | 4.2869 | View | CSV | PDB |
| 7.0 | -1.2434 | 4.2869 | View | CSV | PDB |
| 7.5 | -1.2311 | 4.2869 | View | CSV | PDB |
| 8.0 | -1.2074 | 4.2869 | View | CSV | PDB |
| 8.5 | -1.1743 | 4.2869 | View | CSV | PDB |
| 9.0 | -1.13 | 4.2869 | 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