| Chain sequence(s) |
A: MSGSVSGCGSGGCSIVWFRRDLRVEDNPALAAAVRAGPVIALFVWAPEEEGHYHPGRVSRWWLKNSLAQLDSSLRSLGTCLITKRSTDSVASLLDVVKSTGASQIFFNHLYDPLSLVRDHRAKDVLTAQGIAVRSFNADLLYEPWEVTDELGRPFSMFAAFWERCLSMPYDPESPLLPPKKIISGDVSKCVADPLVFEDDSEKGSNALLARAWSPGWSNGDKALTTFINGPLLEYSKNRRKADSATTSFLSPHLHFGEVSVRKVFHLVRIKQVAWANEGNEAGEESVNLFLKSIGLREYSRYISFNHPYSHERPLLGHLKFFPWAVDENYFKAWRQGRTGYPLVDAGMRELWATGWLHDRIRVVVSSFFVKVLQLPWRWGMKYFWDTLLDADLESDALGWQYITGTLPDSREFDRIDNPQFEGYKFDPNGEYVRRWLPELSRLPTDWIHHPWNAPESVLQAAGIELGSNYPLPIVGLDEAKARLHEALSQMWQLEAASRAAIENGSEEGLGDSAEVEEAPIEFPRDITMEETEPTRLNPNRRYEDQMVPSITSSLIRPEEDEESSLNLRNSVGDSRAEVPRNMVNTNQAQQRRAEPASNQVTAMIPEFNIRIVAESTEDSTAESSSSGRRERSGGIVPEWSPGYSEQFPSEENGIGGGSTTSSYLQNHHEILNWRRLSQTG
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 partially or entirely disordered. Average 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 (00:09:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f306c83a96ef4be/tmp/folded.pdb (00:09:39)
[INFO] Main: Simulation completed successfully. (00:12:37)
|
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 | M | A | 0.8129 | |
| 2 | S | A | 0.2202 | |
| 3 | G | A | 0.0137 | |
| 4 | S | A | 0.3637 | |
| 5 | V | A | 1.3861 | |
| 6 | S | A | 0.4525 | |
| 7 | G | A | 0.0853 | |
| 8 | C | A | 0.3152 | |
| 9 | G | A | -0.5560 | |
| 10 | S | A | -0.6150 | |
| 11 | G | A | -0.9750 | |
| 12 | G | A | -0.8411 | |
| 13 | C | A | -0.5306 | |
| 14 | S | A | 0.0000 | |
| 15 | I | A | 0.0000 | |
| 16 | V | A | 0.0000 | |
| 17 | W | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | R | A | -0.3294 | |
| 20 | R | A | -0.3388 | |
| 21 | D | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | R | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | E | A | -0.2644 | |
| 26 | D | A | 0.0000 | |
| 27 | N | A | 0.0000 | |
| 28 | P | A | 0.1697 | |
| 29 | A | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | A | A | -0.7445 | |
| 33 | A | A | 0.0000 | |
| 34 | V | A | -0.6616 | |
| 35 | R | A | -1.7580 | |
| 36 | A | A | -1.0237 | |
| 37 | G | A | -0.4532 | |
| 38 | P | A | 0.0530 | |
| 39 | V | A | 0.0000 | |
| 40 | I | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | L | A | 0.0000 | |
| 43 | F | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | P | A | 0.0000 | |
| 48 | E | A | -2.5464 | |
| 49 | E | A | -1.8001 | |
| 50 | E | A | -1.8268 | |
| 51 | G | A | -1.8774 | |
| 52 | H | A | -1.6961 | |
| 53 | Y | A | -1.2129 | |
| 54 | H | A | -1.5493 | |
| 55 | P | A | -0.6694 | |
| 56 | G | A | 0.0000 | |
| 57 | R | A | -0.8242 | |
| 58 | V | A | 0.0000 | |
| 59 | S | A | 0.0000 | |
| 60 | R | A | -0.5795 | |
| 61 | W | A | 0.0000 | |
| 62 | W | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -1.0426 | |
| 65 | N | A | -1.0411 | |
| 66 | S | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | A | A | -0.5991 | |
| 69 | Q | A | -0.7784 | |
| 70 | L | A | 0.0000 | |
| 71 | D | A | -0.8984 | |
| 72 | S | A | -1.0348 | |
| 73 | S | A | -0.8850 | |
| 74 | L | A | 0.0000 | |
| 75 | R | A | -2.3095 | |
| 76 | S | A | -1.6138 | |
| 77 | L | A | -1.4341 | |
| 78 | G | A | -1.0638 | |
| 79 | T | A | 0.0000 | |
| 80 | C | A | -0.6379 | |
| 81 | L | A | 0.0000 | |
| 82 | I | A | 0.0000 | |
| 83 | T | A | -0.2363 | |
| 84 | K | A | -0.6568 | |
| 85 | R | A | -1.0581 | |
| 86 | S | A | -1.0461 | |
| 87 | T | A | -1.0751 | |
| 88 | D | A | -0.8926 | |
| 89 | S | A | 0.0000 | |
| 90 | V | A | 0.0000 | |
| 91 | A | A | -0.3914 | |
| 92 | S | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | L | A | -1.1567 | |
| 95 | D | A | -2.3180 | |
| 96 | V | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | K | A | -2.6204 | |
| 99 | S | A | -1.9059 | |
| 100 | T | A | -1.7899 | |
| 101 | G | A | -1.5805 | |
| 102 | A | A | 0.0000 | |
| 103 | S | A | -0.8419 | |
| 104 | Q | A | -0.7680 | |
| 105 | I | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | F | A | 0.0000 | |
| 108 | N | A | 0.0000 | |
| 109 | H | A | -0.3760 | |
| 110 | L | A | 0.0000 | |
| 111 | Y | A | 0.0000 | |
| 112 | D | A | 0.3968 | |
| 113 | P | A | 0.7280 | |
| 114 | L | A | 0.6376 | |
| 115 | S | A | 0.1832 | |
| 116 | L | A | 0.6525 | |
| 117 | V | A | 1.1879 | |
| 118 | R | A | -0.4214 | |
| 119 | D | A | 0.0000 | |
| 120 | H | A | -1.5053 | |
| 121 | R | A | -1.6427 | |
| 122 | A | A | 0.0000 | |
| 123 | K | A | -2.2447 | |
| 124 | D | A | -2.5087 | |
| 125 | V | A | -1.1320 | |
| 126 | L | A | 0.0000 | |
| 127 | T | A | -1.1523 | |
| 128 | A | A | -1.0388 | |
| 129 | Q | A | -1.4973 | |
| 130 | G | A | -0.8984 | |
| 131 | I | A | -0.8042 | |
| 132 | A | A | -0.6743 | |
| 133 | V | A | -1.0720 | |
| 134 | R | A | -1.7814 | |
| 135 | S | A | -0.8865 | |
| 136 | F | A | -0.2945 | |
| 137 | N | A | -0.3260 | |
| 138 | A | A | 0.0000 | |
| 139 | D | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Y | A | 0.0000 | |
| 143 | E | A | 0.0000 | |
| 144 | P | A | 0.0000 | |
| 145 | W | A | 0.4371 | |
| 146 | E | A | -0.3121 | |
| 147 | V | A | 0.0000 | |
| 148 | T | A | -0.9435 | |
| 149 | D | A | -1.4304 | |
| 150 | E | A | -1.6617 | |
| 151 | L | A | -0.0946 | |
| 152 | G | A | -0.9606 | |
| 153 | R | A | -1.9474 | |
| 154 | P | A | -0.9823 | |
| 155 | F | A | -0.3476 | |
| 156 | S | A | -0.2132 | |
| 157 | M | A | 0.4134 | |
| 158 | F | A | 0.1798 | |
| 159 | A | A | -0.3069 | |
| 160 | A | A | -0.4686 | |
| 161 | F | A | 0.0000 | |
| 162 | W | A | 0.0000 | |
| 163 | E | A | -1.9108 | |
| 164 | R | A | -1.3169 | |
| 165 | C | A | 0.0000 | |
| 166 | L | A | -0.5102 | |
| 167 | S | A | -0.6293 | |
| 168 | M | A | -0.4627 | |
| 169 | P | A | -0.1212 | |
| 170 | Y | A | -0.1690 | |
| 171 | D | A | -1.8356 | |
| 172 | P | A | -1.6732 | |
| 173 | E | A | -2.3492 | |
| 174 | S | A | -1.3422 | |
| 175 | P | A | -0.4248 | |
| 176 | L | A | 0.5505 | |
| 177 | L | A | 1.2255 | |
| 178 | P | A | -0.1511 | |
| 179 | P | A | -1.2331 | |
| 180 | K | A | -2.2983 | |
| 181 | K | A | -2.2633 | |
| 182 | I | A | 0.0000 | |
| 183 | I | A | 1.3487 | |
| 184 | S | A | 0.1216 | |
| 185 | G | A | -0.4595 | |
| 186 | D | A | -1.8354 | |
| 187 | V | A | -0.6883 | |
| 188 | S | A | -0.9724 | |
| 189 | K | A | -1.6912 | |
| 190 | C | A | -0.5393 | |
| 191 | V | A | 1.2569 | |
| 192 | A | A | 0.3367 | |
| 193 | D | A | -0.1559 | |
| 194 | P | A | 0.0683 | |
| 195 | L | A | 0.4032 | |
| 196 | V | A | 1.1652 | |
| 197 | F | A | 0.0000 | |
| 198 | E | A | -1.4119 | |
| 199 | D | A | -2.4942 | |
| 200 | D | A | -3.2076 | |
| 201 | S | A | -2.0080 | |
| 202 | E | A | 0.0000 | |
| 203 | K | A | -2.9083 | |
| 204 | G | A | -1.7604 | |
| 205 | S | A | -0.9357 | |
| 206 | N | A | 0.0000 | |
| 207 | A | A | -0.7762 | |
| 208 | L | A | -0.4944 | |
| 209 | L | A | 0.0000 | |
| 210 | A | A | -0.8202 | |
| 211 | R | A | -1.7065 | |
| 212 | A | A | -0.7744 | |
| 213 | W | A | 0.0000 | |
| 214 | S | A | -0.6043 | |
| 215 | P | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | W | A | -0.5994 | |
| 218 | S | A | -0.9895 | |
| 219 | N | A | -1.2176 | |
| 220 | G | A | 0.0000 | |
| 221 | D | A | -2.0293 | |
| 222 | K | A | -2.2803 | |
| 223 | A | A | -1.0901 | |
| 224 | L | A | 0.0000 | |
| 225 | T | A | -1.2712 | |
| 226 | T | A | -1.1782 | |
| 227 | F | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | N | A | -1.3861 | |
| 230 | G | A | -1.0139 | |
| 231 | P | A | -0.8267 | |
| 232 | L | A | 0.0000 | |
| 233 | L | A | -0.8513 | |
| 234 | E | A | -2.0105 | |
| 235 | Y | A | 0.0000 | |
| 236 | S | A | -2.2729 | |
| 237 | K | A | -2.9939 | |
| 238 | N | A | -2.4856 | |
| 239 | R | A | -3.0447 | |
| 240 | R | A | -3.3466 | |
| 241 | K | A | -2.2157 | |
| 242 | A | A | -1.6216 | |
| 243 | D | A | -1.3503 | |
| 244 | S | A | -0.7949 | |
| 245 | A | A | -0.1602 | |
| 246 | T | A | 0.0000 | |
| 247 | T | A | -0.7023 | |
| 248 | S | A | 0.1487 | |
| 249 | F | A | 0.7092 | |
| 250 | L | A | 0.0000 | |
| 251 | S | A | 0.0584 | |
| 252 | P | A | 0.0000 | |
| 253 | H | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | H | A | 0.0000 | |
| 256 | F | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | E | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | S | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | R | A | 0.0000 | |
| 263 | K | A | -1.0987 | |
| 264 | V | A | 0.0000 | |
| 265 | F | A | 0.0000 | |
| 266 | H | A | -0.8777 | |
| 267 | L | A | 0.1827 | |
| 268 | V | A | 0.0000 | |
| 269 | R | A | 0.2357 | |
| 270 | I | A | 1.6328 | |
| 271 | K | A | 0.4394 | |
| 272 | Q | A | 0.0000 | |
| 273 | V | A | 1.3266 | |
| 274 | A | A | 0.0245 | |
| 275 | W | A | 0.0000 | |
| 276 | A | A | -1.5127 | |
| 277 | N | A | -2.0599 | |
| 278 | E | A | -2.7600 | |
| 279 | G | A | -2.2433 | |
| 280 | N | A | -2.4218 | |
| 281 | E | A | -3.0968 | |
| 282 | A | A | -2.1820 | |
| 283 | G | A | 0.0000 | |
| 284 | E | A | -2.1430 | |
| 285 | E | A | -2.9468 | |
| 286 | S | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | N | A | -1.5258 | |
| 289 | L | A | -1.1506 | |
| 290 | F | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | K | A | -1.0565 | |
| 293 | S | A | -0.3206 | |
| 294 | I | A | 0.0000 | |
| 295 | G | A | 0.0000 | |
| 296 | L | A | 0.7181 | |
| 297 | R | A | 0.1510 | |
| 298 | E | A | 0.0000 | |
| 299 | Y | A | 0.0000 | |
| 300 | S | A | 0.0000 | |
| 301 | R | A | 0.0000 | |
| 302 | Y | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | F | A | 0.5720 | |
| 306 | N | A | 0.0164 | |
| 307 | H | A | -0.1471 | |
| 308 | P | A | 0.2557 | |
| 309 | Y | A | 0.1811 | |
| 310 | S | A | 0.0000 | |
| 311 | H | A | -1.1070 | |
| 312 | E | A | -2.2608 | |
| 313 | R | A | -2.4122 | |
| 314 | P | A | -1.2129 | |
| 315 | L | A | -0.2697 | |
| 316 | L | A | -0.3090 | |
| 317 | G | A | -1.1571 | |
| 318 | H | A | -0.9453 | |
| 319 | L | A | 0.0000 | |
| 320 | K | A | -1.9223 | |
| 321 | F | A | -0.4326 | |
| 322 | F | A | 0.0000 | |
| 323 | P | A | -0.0848 | |
| 324 | W | A | 0.6942 | |
| 325 | A | A | 0.5853 | |
| 326 | V | A | 1.2079 | |
| 327 | D | A | -0.8721 | |
| 328 | E | A | -1.9050 | |
| 329 | N | A | -2.1900 | |
| 330 | Y | A | -1.1916 | |
| 331 | F | A | 0.0000 | |
| 332 | K | A | -2.3680 | |
| 333 | A | A | 0.0000 | |
| 334 | W | A | 0.0000 | |
| 335 | R | A | -1.1264 | |
| 336 | Q | A | -1.2122 | |
| 337 | G | A | 0.0000 | |
| 338 | R | A | -1.2103 | |
| 339 | T | A | 0.0000 | |
| 340 | G | A | 0.0000 | |
| 341 | Y | A | 0.0000 | |
| 342 | P | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | D | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | G | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | R | A | 0.0000 | |
| 350 | E | A | -0.2186 | |
| 351 | L | A | 0.0000 | |
| 352 | W | A | 0.1627 | |
| 353 | A | A | 0.0000 | |
| 354 | T | A | -0.1605 | |
| 355 | G | A | 0.0000 | |
| 356 | W | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | H | A | 0.0000 | |
| 359 | D | A | -2.3802 | |
| 360 | R | A | -2.2442 | |
| 361 | I | A | 0.0000 | |
| 362 | R | A | -1.0621 | |
| 363 | V | A | -0.6832 | |
| 364 | V | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | S | A | 0.0000 | |
| 367 | S | A | 0.0000 | |
| 368 | F | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | K | A | 0.0000 | |
| 372 | V | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | Q | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | P | A | 0.0000 | |
| 377 | W | A | 0.0000 | |
| 378 | R | A | -0.9130 | |
| 379 | W | A | 0.0000 | |
| 380 | G | A | 0.0000 | |
| 381 | M | A | 0.0000 | |
| 382 | K | A | -0.2920 | |
| 383 | Y | A | -0.0123 | |
| 384 | F | A | 0.0000 | |
| 385 | W | A | 0.0000 | |
| 386 | D | A | -0.2622 | |
| 387 | T | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | D | A | 0.0000 | |
| 391 | A | A | 0.0000 | |
| 392 | D | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | E | A | 0.0000 | |
| 395 | S | A | -0.0481 | |
| 396 | D | A | -0.2408 | |
| 397 | A | A | 0.0000 | |
| 398 | L | A | 0.1956 | |
| 399 | G | A | -0.1717 | |
| 400 | W | A | 0.0000 | |
| 401 | Q | A | 0.0000 | |
| 402 | Y | A | -0.1706 | |
| 403 | I | A | 0.0000 | |
| 404 | T | A | 0.0000 | |
| 405 | G | A | -1.1286 | |
| 406 | T | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | P | A | -0.3492 | |
| 409 | D | A | -0.9044 | |
| 410 | S | A | -0.9991 | |
| 411 | R | A | -2.1374 | |
| 412 | E | A | -3.1273 | |
| 413 | F | A | 0.0000 | |
| 414 | D | A | -3.3906 | |
| 415 | R | A | -3.5262 | |
| 416 | I | A | -1.9779 | |
| 417 | D | A | -0.9167 | |
| 418 | N | A | -0.1847 | |
| 419 | P | A | 0.0000 | |
| 420 | Q | A | 0.5384 | |
| 421 | F | A | 1.4846 | |
| 422 | E | A | 0.1492 | |
| 423 | G | A | 0.0000 | |
| 424 | Y | A | 0.0815 | |
| 425 | K | A | -1.1800 | |
| 426 | F | A | 0.0000 | |
| 427 | D | A | 0.0000 | |
| 428 | P | A | -1.1568 | |
| 429 | N | A | -2.0761 | |
| 430 | G | A | 0.0000 | |
| 431 | E | A | -2.1933 | |
| 432 | Y | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | R | A | -1.9742 | |
| 435 | R | A | -1.7806 | |
| 436 | W | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | P | A | -0.9978 | |
| 439 | E | A | -1.3202 | |
| 440 | L | A | 0.0000 | |
| 441 | S | A | -1.7245 | |
| 442 | R | A | -2.0434 | |
| 443 | L | A | 0.0000 | |
| 444 | P | A | -1.2137 | |
| 445 | T | A | -1.6437 | |
| 446 | D | A | -1.8500 | |
| 447 | W | A | -0.8670 | |
| 448 | I | A | 0.0000 | |
| 449 | H | A | 0.0000 | |
| 450 | H | A | 0.0000 | |
| 451 | P | A | 0.0000 | |
| 452 | W | A | -0.1053 | |
| 453 | N | A | -1.3395 | |
| 454 | A | A | 0.0000 | |
| 455 | P | A | -1.3214 | |
| 456 | E | A | -2.4744 | |
| 457 | S | A | -1.3344 | |
| 458 | V | A | -0.8801 | |
| 459 | L | A | -1.7181 | |
| 460 | Q | A | -2.0013 | |
| 461 | A | A | -1.0394 | |
| 462 | A | A | 0.0000 | |
| 463 | G | A | -1.4731 | |
| 464 | I | A | 0.0000 | |
| 465 | E | A | -2.4424 | |
| 466 | L | A | -0.8359 | |
| 467 | G | A | -0.5731 | |
| 468 | S | A | -1.0928 | |
| 469 | N | A | -1.4331 | |
| 470 | Y | A | 0.0000 | |
| 471 | P | A | -0.0966 | |
| 472 | L | A | 1.1318 | |
| 473 | P | A | 0.7588 | |
| 474 | I | A | 0.6826 | |
| 475 | V | A | 0.0000 | |
| 476 | G | A | -1.1118 | |
| 477 | L | A | -1.6992 | |
| 478 | D | A | -3.0525 | |
| 479 | E | A | -3.1579 | |
| 480 | A | A | 0.0000 | |
| 481 | K | A | -3.4185 | |
| 482 | A | A | -2.5962 | |
| 483 | R | A | -2.5516 | |
| 484 | L | A | 0.0000 | |
| 485 | H | A | -2.9259 | |
| 486 | E | A | -2.7314 | |
| 487 | A | A | 0.0000 | |
| 488 | L | A | 0.0000 | |
| 489 | S | A | -1.3527 | |
| 490 | Q | A | -1.2241 | |
| 491 | M | A | 0.0000 | |
| 492 | W | A | 0.0404 | |
| 493 | Q | A | -0.9782 | |
| 494 | L | A | -0.4674 | |
| 495 | E | A | -1.6232 | |
| 496 | A | A | -1.1072 | |
| 497 | A | A | -0.7841 | |
| 498 | S | A | -1.3025 | |
| 499 | R | A | -2.3073 | |
| 500 | A | A | -1.7267 | |
| 501 | A | A | -1.7764 | |
| 502 | I | A | -1.5558 | |
| 503 | E | A | -2.8535 | |
| 504 | N | A | -2.7151 | |
| 505 | G | A | -2.4210 | |
| 506 | S | A | -2.1390 | |
| 507 | E | A | -3.0655 | |
| 508 | E | A | -2.9997 | |
| 509 | G | A | -1.8953 | |
| 510 | L | A | -0.6574 | |
| 511 | G | A | -1.3911 | |
| 512 | D | A | -2.1861 | |
| 513 | S | A | -1.1334 | |
| 514 | A | A | -0.9687 | |
| 515 | E | A | -2.1836 | |
| 516 | V | A | -0.4176 | |
| 517 | E | A | -2.2624 | |
| 518 | E | A | -2.2265 | |
| 519 | A | A | -1.3239 | |
| 520 | P | A | -1.1811 | |
| 521 | I | A | 0.1194 | |
| 522 | E | A | -1.5553 | |
| 523 | F | A | -1.1797 | |
| 524 | P | A | -1.3614 | |
| 525 | R | A | -2.6301 | |
| 526 | D | A | -2.0596 | |
| 527 | I | A | 0.1164 | |
| 528 | T | A | -0.6195 | |
| 529 | M | A | -0.3446 | |
| 530 | E | A | -2.5680 | |
| 531 | E | A | -2.9805 | |
| 532 | T | A | -2.3391 | |
| 533 | E | A | -2.8993 | |
| 534 | P | A | -1.6943 | |
| 535 | T | A | -1.3325 | |
| 536 | R | A | -1.7483 | |
| 537 | L | A | -0.4442 | |
| 538 | N | A | -2.0669 | |
| 539 | P | A | -2.1012 | |
| 540 | N | A | -2.9697 | |
| 541 | R | A | -3.9343 | |
| 542 | R | A | -3.6198 | |
| 543 | Y | A | -1.7372 | |
| 544 | E | A | -3.0983 | |
| 545 | D | A | -2.9287 | |
| 546 | Q | A | -1.1899 | |
| 547 | M | A | 0.3039 | |
| 548 | V | A | 0.2927 | |
| 549 | P | A | 0.0824 | |
| 550 | S | A | 0.1036 | |
| 551 | I | A | 0.0019 | |
| 552 | T | A | -0.0332 | |
| 553 | S | A | 0.3731 | |
| 554 | S | A | 0.8455 | |
| 555 | L | A | 1.8212 | |
| 556 | I | A | 1.4452 | |
| 557 | R | A | -1.2914 | |
| 558 | P | A | -2.0395 | |
| 559 | E | A | -3.7318 | |
| 560 | E | A | -4.5178 | |
| 561 | D | A | -4.5737 | |
| 562 | E | A | -4.3069 | |
| 563 | E | A | -3.3650 | |
| 564 | S | A | -1.5816 | |
| 565 | S | A | -0.3317 | |
| 566 | L | A | 0.9264 | |
| 567 | N | A | -0.2505 | |
| 568 | L | A | 0.1040 | |
| 569 | R | A | -2.0518 | |
| 570 | N | A | -1.5975 | |
| 571 | S | A | -0.5201 | |
| 572 | V | A | 0.7449 | |
| 573 | G | A | -0.5656 | |
| 574 | D | A | -2.1048 | |
| 575 | S | A | -2.0743 | |
| 576 | R | A | -2.7476 | |
| 577 | A | A | -1.3707 | |
| 578 | E | A | -1.4500 | |
| 579 | V | A | 0.4360 | |
| 580 | P | A | -0.9059 | |
| 581 | R | A | -1.9959 | |
| 582 | N | A | -1.3222 | |
| 583 | M | A | 0.5329 | |
| 584 | V | A | 1.3830 | |
| 585 | N | A | -0.4692 | |
| 586 | T | A | -1.1491 | |
| 587 | N | A | -2.2288 | |
| 588 | Q | A | -2.1321 | |
| 589 | A | A | -1.6165 | |
| 590 | Q | A | -2.4252 | |
| 591 | Q | A | -3.1207 | |
| 592 | R | A | -3.6324 | |
| 593 | R | A | -3.3238 | |
| 594 | A | A | -2.2042 | |
| 595 | E | A | -2.2937 | |
| 596 | P | A | -1.2295 | |
| 597 | A | A | -0.7815 | |
| 598 | S | A | -1.1496 | |
| 599 | N | A | -1.5728 | |
| 600 | Q | A | -1.0125 | |
| 601 | V | A | 0.9082 | |
| 602 | T | A | 0.7643 | |
| 603 | A | A | 1.3023 | |
| 604 | M | A | 1.9663 | |
| 605 | I | A | 1.9801 | |
| 606 | P | A | 0.5594 | |
| 607 | E | A | -0.8316 | |
| 608 | F | A | 0.8159 | |
| 609 | N | A | -0.1608 | |
| 610 | I | A | 1.3439 | |
| 611 | R | A | 0.2208 | |
| 612 | I | A | 2.3855 | |
| 613 | V | A | 2.0059 | |
| 614 | A | A | 0.4033 | |
| 615 | E | A | -1.5608 | |
| 616 | S | A | -1.5170 | |
| 617 | T | A | -1.7813 | |
| 618 | E | A | -2.8214 | |
| 619 | D | A | -2.8211 | |
| 620 | S | A | -1.4849 | |
| 621 | T | A | -0.8882 | |
| 622 | A | A | -0.9434 | |
| 623 | E | A | -1.9545 | |
| 624 | S | A | -1.2502 | |
| 625 | S | A | -0.8493 | |
| 626 | S | A | -0.5675 | |
| 627 | S | A | -1.0334 | |
| 628 | G | A | -1.8677 | |
| 629 | R | A | -3.4367 | |
| 630 | R | A | -4.0972 | |
| 631 | E | A | -4.1322 | |
| 632 | R | A | -3.3226 | |
| 633 | S | A | -1.8759 | |
| 634 | G | A | -0.7291 | |
| 635 | G | A | 0.6381 | |
| 636 | I | A | 2.2609 | |
| 637 | V | A | 2.1172 | |
| 638 | P | A | 0.4779 | |
| 639 | E | A | -0.7503 | |
| 640 | W | A | 0.2276 | |
| 641 | S | A | -0.2357 | |
| 642 | P | A | -0.1986 | |
| 643 | G | A | 0.1118 | |
| 644 | Y | A | 0.3936 | |
| 645 | S | A | -0.7096 | |
| 646 | E | A | -1.8020 | |
| 647 | Q | A | -1.1459 | |
| 648 | F | A | 0.5255 | |
| 649 | P | A | -0.6102 | |
| 650 | S | A | -1.6192 | |
| 651 | E | A | -3.0859 | |
| 652 | E | A | -3.3480 | |
| 653 | N | A | -2.4980 | |
| 654 | G | A | -0.8726 | |
| 655 | I | A | 0.9562 | |
| 656 | G | A | -0.0121 | |
| 657 | G | A | -0.5646 | |
| 658 | G | A | -0.9222 | |
| 659 | S | A | -0.6244 | |
| 660 | T | A | -0.4020 | |
| 661 | T | A | -0.2179 | |
| 662 | S | A | 0.1352 | |
| 663 | S | A | 0.5794 | |
| 664 | Y | A | 1.4695 | |
| 665 | L | A | 1.0296 | |
| 666 | Q | A | -1.1725 | |
| 667 | N | A | -2.2007 | |
| 668 | H | A | -2.4776 | |
| 669 | H | A | -2.0682 | |
| 670 | E | A | -1.4821 | |
| 671 | I | A | 1.2751 | |
| 672 | L | A | 1.3765 | |
| 673 | N | A | -0.6152 | |
| 674 | W | A | 0.2512 | |
| 675 | R | A | -1.7243 | |
| 676 | R | A | -1.9261 | |
| 677 | L | A | 0.0651 | |
| 678 | S | A | -0.7700 | |
| 679 | Q | A | -1.3117 | |
| 680 | T | A | -0.7157 | |
| 681 | G | A | -0.8050 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.5046 | 4.4443 | View | CSV | PDB |
| 4.5 | -0.5808 | 4.3853 | View | CSV | PDB |
| 5.0 | -0.6794 | 4.2992 | View | CSV | PDB |
| 5.5 | -0.7846 | 4.2002 | View | CSV | PDB |
| 6.0 | -0.8806 | 4.1038 | View | CSV | PDB |
| 6.5 | -0.9537 | 4.0256 | View | CSV | PDB |
| 7.0 | -0.9983 | 3.9773 | View | CSV | PDB |
| 7.5 | -1.0202 | 3.9552 | View | CSV | PDB |
| 8.0 | -1.0287 | 3.947 | View | CSV | PDB |
| 8.5 | -1.0286 | 3.9443 | View | CSV | PDB |
| 9.0 | -1.0203 | 3.9434 | 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