| Chain sequence(s) |
A: MPGGGPQGAPAAAGGGGVSHRAGSRDCLPPAACFRRRRLARRPGYMRSSTGPGIGFLSPAVGTLFRFPGGVSGEESHHSESRARQCGLDSRGLLVRSPVSKSAAAPTVTSVRGTSAHFGIQLRGGTRLPDRLSWPCGPGSAGWQQEFAAMDSSETLDASWEAACSDGARRVRAAGSLPSAELSSNSCSPGCGPEVPPTPPGSHSAFTSSFSFIRLSLGSAGERGEAEGCPPSREAESHCQSPQEMGAKAASLDGPHEDPRCLSRPFSLLATRVSADLAQAARNSSRPERDMHSLPDMDPGSSSSLDPSLAGCGGDGSSGSGDAHSWDTLLRKWEPVLRDCLLRNRRQMEVISLRLKLQKLQEDAVENDDYDKAETLQQRLEDLEQEKISLHFQLPSRQPALSSFLGHLAAQVQAALRRGATQQASGDDTHTPLRMEPRLLEPTAQDSLHVSITRRDWLLQEKQQLQKEIEALQARMFVLEAKDQQLRREIEEQEQQLQWQGCDLTPLVGQLSLGQLQEVSKALQDTLASAGQIPFHAEPPETIRRCV
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] (00:00:01)
[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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d5f784e8ef1a367/tmp/folded.pdb (00:05:24)
[INFO] Main: Simulation completed successfully. (00:07:36)
|
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 | 0.7686 | |
| 2 | P | A | -0.1678 | |
| 3 | G | A | -0.7366 | |
| 4 | G | A | -0.9668 | |
| 5 | G | A | -1.1854 | |
| 6 | P | A | -1.2461 | |
| 7 | Q | A | -1.6527 | |
| 8 | G | A | -1.1203 | |
| 9 | A | A | -0.5950 | |
| 10 | P | A | -0.4132 | |
| 11 | A | A | -0.0546 | |
| 12 | A | A | -0.0282 | |
| 13 | A | A | -0.2459 | |
| 14 | G | A | -0.8481 | |
| 15 | G | A | -1.0583 | |
| 16 | G | A | -0.6775 | |
| 17 | G | A | -0.0249 | |
| 18 | V | A | 1.1420 | |
| 19 | S | A | -0.2807 | |
| 20 | H | A | -1.6915 | |
| 21 | R | A | -2.4679 | |
| 22 | A | A | -1.3092 | |
| 23 | G | A | -1.3127 | |
| 24 | S | A | -1.7065 | |
| 25 | R | A | -2.8459 | |
| 26 | D | A | -2.1438 | |
| 27 | C | A | -0.0481 | |
| 28 | L | A | 1.3485 | |
| 29 | P | A | 0.3957 | |
| 30 | P | A | 0.1597 | |
| 31 | A | A | 0.3016 | |
| 32 | A | A | 0.6089 | |
| 33 | C | A | 0.9137 | |
| 34 | F | A | 0.6994 | |
| 35 | R | A | -2.3333 | |
| 36 | R | A | -3.3140 | |
| 37 | R | A | -3.4725 | |
| 38 | R | A | -2.9146 | |
| 39 | L | A | -0.6968 | |
| 40 | A | A | -1.2982 | |
| 41 | R | A | -2.6628 | |
| 42 | R | A | -2.6074 | |
| 43 | P | A | -1.5475 | |
| 44 | G | A | -0.4887 | |
| 45 | Y | A | 0.8785 | |
| 46 | M | A | 0.6349 | |
| 47 | R | A | -1.2036 | |
| 48 | S | A | -0.9845 | |
| 49 | S | A | -0.8399 | |
| 50 | T | A | -0.5516 | |
| 51 | G | A | -0.6029 | |
| 52 | P | A | -0.3532 | |
| 53 | G | A | 0.3396 | |
| 54 | I | A | 2.0300 | |
| 55 | G | A | 1.8296 | |
| 56 | F | A | 2.8318 | |
| 57 | L | A | 2.4298 | |
| 58 | S | A | 1.0323 | |
| 59 | P | A | 0.3953 | |
| 60 | A | A | 0.7989 | |
| 61 | V | A | 1.6329 | |
| 62 | G | A | 0.7903 | |
| 63 | T | A | 1.0391 | |
| 64 | L | A | 2.2590 | |
| 65 | F | A | 2.2117 | |
| 66 | R | A | 0.3026 | |
| 67 | F | A | 1.3993 | |
| 68 | P | A | -0.1077 | |
| 69 | G | A | -0.2016 | |
| 70 | G | A | 0.0627 | |
| 71 | V | A | 1.2400 | |
| 72 | S | A | -0.0835 | |
| 73 | G | A | -1.5249 | |
| 74 | E | A | -3.0531 | |
| 75 | E | A | -3.1503 | |
| 76 | S | A | -2.1888 | |
| 77 | H | A | -2.0013 | |
| 78 | H | A | -2.0540 | |
| 79 | S | A | -1.9428 | |
| 80 | E | A | -2.6616 | |
| 81 | S | A | -2.2504 | |
| 82 | R | A | -2.7343 | |
| 83 | A | A | -2.2409 | |
| 84 | R | A | -2.6878 | |
| 85 | Q | A | -1.8147 | |
| 86 | C | A | -0.2648 | |
| 87 | G | A | -0.0143 | |
| 88 | L | A | 0.4386 | |
| 89 | D | A | -1.5686 | |
| 90 | S | A | -1.8323 | |
| 91 | R | A | -2.0789 | |
| 92 | G | A | -0.6659 | |
| 93 | L | A | 2.1642 | |
| 94 | L | A | 2.6135 | |
| 95 | V | A | 1.8945 | |
| 96 | R | A | -0.8427 | |
| 97 | S | A | -0.5310 | |
| 98 | P | A | 0.0121 | |
| 99 | V | A | 1.1035 | |
| 100 | S | A | -0.3443 | |
| 101 | K | A | -1.4968 | |
| 102 | S | A | -1.0304 | |
| 103 | A | A | -0.3300 | |
| 104 | A | A | 0.0167 | |
| 105 | A | A | -0.0544 | |
| 106 | P | A | 0.1082 | |
| 107 | T | A | 0.6362 | |
| 108 | V | A | 1.7717 | |
| 109 | T | A | 1.1596 | |
| 110 | S | A | 0.6542 | |
| 111 | V | A | 0.7058 | |
| 112 | R | A | -1.1482 | |
| 113 | G | A | -1.0406 | |
| 114 | T | A | -0.5731 | |
| 115 | S | A | -0.3453 | |
| 116 | A | A | -0.1321 | |
| 117 | H | A | -0.0415 | |
| 118 | F | A | 1.5479 | |
| 119 | G | A | 0.9602 | |
| 120 | I | A | 1.8867 | |
| 121 | Q | A | 0.0617 | |
| 122 | L | A | 0.3822 | |
| 123 | R | A | -1.6498 | |
| 124 | G | A | -1.2538 | |
| 125 | G | A | -1.4535 | |
| 126 | T | A | -0.9919 | |
| 127 | R | A | -1.4703 | |
| 128 | L | A | -0.1791 | |
| 129 | P | A | -1.1759 | |
| 130 | D | A | -2.2866 | |
| 131 | R | A | -1.7699 | |
| 132 | L | A | 0.4508 | |
| 133 | S | A | 0.7441 | |
| 134 | W | A | 1.2671 | |
| 135 | P | A | 0.5472 | |
| 136 | C | A | 0.5753 | |
| 137 | G | A | -0.4332 | |
| 138 | P | A | -0.6126 | |
| 139 | G | A | -0.7855 | |
| 140 | S | A | -0.6192 | |
| 141 | A | A | -0.1520 | |
| 142 | G | A | -0.1764 | |
| 143 | W | A | -0.0638 | |
| 144 | Q | A | -1.7802 | |
| 145 | Q | A | -2.1287 | |
| 146 | E | A | -1.7163 | |
| 147 | F | A | 0.8185 | |
| 148 | A | A | 0.6916 | |
| 149 | A | A | 0.6779 | |
| 150 | M | A | 0.1855 | |
| 151 | D | A | -1.4160 | |
| 152 | S | A | -1.3697 | |
| 153 | S | A | -1.6222 | |
| 154 | E | A | -1.6865 | |
| 155 | T | A | -0.5993 | |
| 156 | L | A | 0.2865 | |
| 157 | D | A | -1.0728 | |
| 158 | A | A | -0.5469 | |
| 159 | S | A | -0.2785 | |
| 160 | W | A | 0.2175 | |
| 161 | E | A | -1.1798 | |
| 162 | A | A | -0.3700 | |
| 163 | A | A | 0.0784 | |
| 164 | C | A | 0.1340 | |
| 165 | S | A | -0.8294 | |
| 166 | D | A | -1.9607 | |
| 167 | G | A | -1.7614 | |
| 168 | A | A | -1.8900 | |
| 169 | R | A | -2.5513 | |
| 170 | R | A | -2.3862 | |
| 171 | V | A | -0.6088 | |
| 172 | R | A | -1.4339 | |
| 173 | A | A | -0.7407 | |
| 174 | A | A | -0.4555 | |
| 175 | G | A | -0.2092 | |
| 176 | S | A | 0.2939 | |
| 177 | L | A | 1.1450 | |
| 178 | P | A | 0.2352 | |
| 179 | S | A | -0.4082 | |
| 180 | A | A | -0.6737 | |
| 181 | E | A | -1.2010 | |
| 182 | L | A | 0.3960 | |
| 183 | S | A | -0.0776 | |
| 184 | S | A | -0.8392 | |
| 185 | N | A | -1.2333 | |
| 186 | S | A | -0.6653 | |
| 187 | C | A | 0.1926 | |
| 188 | S | A | -0.1379 | |
| 189 | P | A | -0.2755 | |
| 190 | G | A | -0.3205 | |
| 191 | C | A | 0.1379 | |
| 192 | G | A | -0.6217 | |
| 193 | P | A | -0.9412 | |
| 194 | E | A | -1.2285 | |
| 195 | V | A | 0.5318 | |
| 196 | P | A | 0.1800 | |
| 197 | P | A | -0.0588 | |
| 198 | T | A | -0.2492 | |
| 199 | P | A | -0.6080 | |
| 200 | P | A | -0.8051 | |
| 201 | G | A | -1.0195 | |
| 202 | S | A | -1.0652 | |
| 203 | H | A | -1.0656 | |
| 204 | S | A | -0.2534 | |
| 205 | A | A | 0.3499 | |
| 206 | F | A | 1.6357 | |
| 207 | T | A | 0.7936 | |
| 208 | S | A | 0.9710 | |
| 209 | S | A | 0.9311 | |
| 210 | F | A | 2.2822 | |
| 211 | S | A | 1.5329 | |
| 212 | F | A | 2.7977 | |
| 213 | I | A | 2.0753 | |
| 214 | R | A | 0.7270 | |
| 215 | L | A | 1.9016 | |
| 216 | S | A | 1.2730 | |
| 217 | L | A | 1.6769 | |
| 218 | G | A | 0.0010 | |
| 219 | S | A | -0.3568 | |
| 220 | A | A | -0.5519 | |
| 221 | G | A | -1.6803 | |
| 222 | E | A | -3.2974 | |
| 223 | R | A | -3.4541 | |
| 224 | G | A | -2.8371 | |
| 225 | E | A | -3.0272 | |
| 226 | A | A | -1.9187 | |
| 227 | E | A | -2.3339 | |
| 228 | G | A | -1.0704 | |
| 229 | C | A | -0.0576 | |
| 230 | P | A | -0.1568 | |
| 231 | P | A | -0.7442 | |
| 232 | S | A | -1.6541 | |
| 233 | R | A | -3.2421 | |
| 234 | E | A | -3.3420 | |
| 235 | A | A | -2.2723 | |
| 236 | E | A | -2.7453 | |
| 237 | S | A | -1.4263 | |
| 238 | H | A | -1.3739 | |
| 239 | C | A | -0.4309 | |
| 240 | Q | A | -1.2117 | |
| 241 | S | A | -1.2789 | |
| 242 | P | A | -1.6679 | |
| 243 | Q | A | -2.0557 | |
| 244 | E | A | -2.0832 | |
| 245 | M | A | -0.2911 | |
| 246 | G | A | -0.6837 | |
| 247 | A | A | -0.8266 | |
| 248 | K | A | -1.7292 | |
| 249 | A | A | -0.7541 | |
| 250 | A | A | -0.0745 | |
| 251 | S | A | 0.1705 | |
| 252 | L | A | 0.3291 | |
| 253 | D | A | -1.3081 | |
| 254 | G | A | -1.4044 | |
| 255 | P | A | -1.5824 | |
| 256 | H | A | -2.3983 | |
| 257 | E | A | -3.2574 | |
| 258 | D | A | -3.3780 | |
| 259 | P | A | -2.2042 | |
| 260 | R | A | -1.7062 | |
| 261 | C | A | 0.0634 | |
| 262 | L | A | 0.7824 | |
| 263 | S | A | -0.2100 | |
| 264 | R | A | -1.1340 | |
| 265 | P | A | 0.0308 | |
| 266 | F | A | 1.8306 | |
| 267 | S | A | 1.5924 | |
| 268 | L | A | 2.6803 | |
| 269 | L | A | 2.2172 | |
| 270 | A | A | 0.8178 | |
| 271 | T | A | 0.1371 | |
| 272 | R | A | -0.8337 | |
| 273 | V | A | 0.5532 | |
| 274 | S | A | -0.0148 | |
| 275 | A | A | -0.3598 | |
| 276 | D | A | -0.9799 | |
| 277 | L | A | 0.4330 | |
| 278 | A | A | -0.1205 | |
| 279 | Q | A | -1.2418 | |
| 280 | A | A | -0.6815 | |
| 281 | A | A | -1.3603 | |
| 282 | R | A | -2.6316 | |
| 283 | N | A | -2.3329 | |
| 284 | S | A | -1.6967 | |
| 285 | S | A | -1.7313 | |
| 286 | R | A | -2.8396 | |
| 287 | P | A | -2.9403 | |
| 288 | E | A | -3.7965 | |
| 289 | R | A | -3.6099 | |
| 290 | D | A | -2.8749 | |
| 291 | M | A | -0.6365 | |
| 292 | H | A | -0.6872 | |
| 293 | S | A | -0.0861 | |
| 294 | L | A | 0.7546 | |
| 295 | P | A | -0.1845 | |
| 296 | D | A | -1.4496 | |
| 297 | M | A | -0.8688 | |
| 298 | D | A | -1.9360 | |
| 299 | P | A | -1.2737 | |
| 300 | G | A | -1.0252 | |
| 301 | S | A | -0.6641 | |
| 302 | S | A | -0.5637 | |
| 303 | S | A | -0.3064 | |
| 304 | S | A | -0.1240 | |
| 305 | L | A | 0.4345 | |
| 306 | D | A | -1.0918 | |
| 307 | P | A | -0.3844 | |
| 308 | S | A | 0.0445 | |
| 309 | L | A | 1.1383 | |
| 310 | A | A | 0.6471 | |
| 311 | G | A | 0.0953 | |
| 312 | C | A | 0.3645 | |
| 313 | G | A | -0.8247 | |
| 314 | G | A | -1.6013 | |
| 315 | D | A | -2.4098 | |
| 316 | G | A | -1.6440 | |
| 317 | S | A | -1.1249 | |
| 318 | S | A | -1.2419 | |
| 319 | G | A | -1.3256 | |
| 320 | S | A | -1.4038 | |
| 321 | G | A | -1.8016 | |
| 322 | D | A | -2.4501 | |
| 323 | A | A | -1.4711 | |
| 324 | H | A | -1.5635 | |
| 325 | S | A | -0.8556 | |
| 326 | W | A | -0.1723 | |
| 327 | D | A | -1.0812 | |
| 328 | T | A | -0.8279 | |
| 329 | L | A | -0.2614 | |
| 330 | L | A | -0.7017 | |
| 331 | R | A | -2.4848 | |
| 332 | K | A | -2.3071 | |
| 333 | W | A | 0.0000 | |
| 334 | E | A | -2.4565 | |
| 335 | P | A | -2.0203 | |
| 336 | V | A | -1.0284 | |
| 337 | L | A | -0.7204 | |
| 338 | R | A | -2.0829 | |
| 339 | D | A | -2.1744 | |
| 340 | C | A | 0.0000 | |
| 341 | L | A | -0.0661 | |
| 342 | L | A | -0.5581 | |
| 343 | R | A | -1.9070 | |
| 344 | N | A | 0.0000 | |
| 345 | R | A | -2.3614 | |
| 346 | R | A | -2.7814 | |
| 347 | Q | A | 0.0000 | |
| 348 | M | A | -0.9180 | |
| 349 | E | A | -2.2435 | |
| 350 | V | A | 0.0000 | |
| 351 | I | A | -0.1561 | |
| 352 | S | A | -0.0958 | |
| 353 | L | A | -0.1057 | |
| 354 | R | A | -0.8922 | |
| 355 | L | A | 0.2760 | |
| 356 | K | A | -1.4557 | |
| 357 | L | A | 0.0000 | |
| 358 | Q | A | -2.2399 | |
| 359 | K | A | -2.8700 | |
| 360 | L | A | -2.1102 | |
| 361 | Q | A | -3.0186 | |
| 362 | E | A | -3.8364 | |
| 363 | D | A | -4.1614 | |
| 364 | A | A | 0.0000 | |
| 365 | V | A | -2.9461 | |
| 366 | E | A | -3.6606 | |
| 367 | N | A | -3.7372 | |
| 368 | D | A | -3.4098 | |
| 369 | D | A | -3.2674 | |
| 370 | Y | A | -1.6904 | |
| 371 | D | A | -2.7343 | |
| 372 | K | A | -2.9252 | |
| 373 | A | A | 0.0000 | |
| 374 | E | A | -3.3973 | |
| 375 | T | A | -2.6444 | |
| 376 | L | A | 0.0000 | |
| 377 | Q | A | -3.6184 | |
| 378 | Q | A | -3.8759 | |
| 379 | R | A | -3.8977 | |
| 380 | L | A | -3.3045 | |
| 381 | E | A | -4.0639 | |
| 382 | D | A | -4.3241 | |
| 383 | L | A | 0.0000 | |
| 384 | E | A | -3.0067 | |
| 385 | Q | A | -2.6200 | |
| 386 | E | A | -2.0483 | |
| 387 | K | A | -1.2653 | |
| 388 | I | A | 0.4978 | |
| 389 | S | A | -0.3808 | |
| 390 | L | A | 0.0000 | |
| 391 | H | A | -0.2171 | |
| 392 | F | A | 0.6677 | |
| 393 | Q | A | 0.1881 | |
| 394 | L | A | 0.9707 | |
| 395 | P | A | -0.1480 | |
| 396 | S | A | -0.6323 | |
| 397 | R | A | -1.6297 | |
| 398 | Q | A | -0.9225 | |
| 399 | P | A | -0.7986 | |
| 400 | A | A | -0.2801 | |
| 401 | L | A | 0.0000 | |
| 402 | S | A | -0.6889 | |
| 403 | S | A | -0.4110 | |
| 404 | F | A | 0.2779 | |
| 405 | L | A | 0.5413 | |
| 406 | G | A | -0.1558 | |
| 407 | H | A | -0.6460 | |
| 408 | L | A | 0.4408 | |
| 409 | A | A | 0.2094 | |
| 410 | A | A | -0.1773 | |
| 411 | Q | A | -0.5587 | |
| 412 | V | A | 0.7134 | |
| 413 | Q | A | -0.6292 | |
| 414 | A | A | -0.8620 | |
| 415 | A | A | -0.5306 | |
| 416 | L | A | -0.0243 | |
| 417 | R | A | -2.3481 | |
| 418 | R | A | -2.8097 | |
| 419 | G | A | -2.0516 | |
| 420 | A | A | -1.7141 | |
| 421 | T | A | -2.0711 | |
| 422 | Q | A | -3.0091 | |
| 423 | Q | A | -2.6280 | |
| 424 | A | A | -1.7097 | |
| 425 | S | A | -2.0131 | |
| 426 | G | A | -2.5801 | |
| 427 | D | A | -3.3756 | |
| 428 | D | A | -3.1034 | |
| 429 | T | A | -1.9120 | |
| 430 | H | A | -1.5810 | |
| 431 | T | A | -0.7845 | |
| 432 | P | A | -0.1310 | |
| 433 | L | A | 0.4412 | |
| 434 | R | A | -1.1862 | |
| 435 | M | A | -0.7944 | |
| 436 | E | A | -2.0844 | |
| 437 | P | A | -1.3043 | |
| 438 | R | A | -1.3827 | |
| 439 | L | A | 0.4375 | |
| 440 | L | A | 0.6844 | |
| 441 | E | A | -1.1713 | |
| 442 | P | A | -0.9487 | |
| 443 | T | A | -1.2531 | |
| 444 | A | A | -1.2086 | |
| 445 | Q | A | -1.5456 | |
| 446 | D | A | -1.7854 | |
| 447 | S | A | -0.5751 | |
| 448 | L | A | 0.1786 | |
| 449 | H | A | -0.6518 | |
| 450 | V | A | 0.4282 | |
| 451 | S | A | -0.2692 | |
| 452 | I | A | -0.0886 | |
| 453 | T | A | -0.4476 | |
| 454 | R | A | -1.6065 | |
| 455 | R | A | -1.6661 | |
| 456 | D | A | -1.5340 | |
| 457 | W | A | -1.0734 | |
| 458 | L | A | -1.2688 | |
| 459 | L | A | -0.9745 | |
| 460 | Q | A | -2.5113 | |
| 461 | E | A | -2.8024 | |
| 462 | K | A | -3.1618 | |
| 463 | Q | A | -3.1158 | |
| 464 | Q | A | -3.2178 | |
| 465 | L | A | -1.7185 | |
| 466 | Q | A | -2.7763 | |
| 467 | K | A | -3.0309 | |
| 468 | E | A | -2.3659 | |
| 469 | I | A | -0.6855 | |
| 470 | E | A | -1.7456 | |
| 471 | A | A | -1.1612 | |
| 472 | L | A | 0.0679 | |
| 473 | Q | A | 0.0686 | |
| 474 | A | A | 0.2448 | |
| 475 | R | A | 0.0121 | |
| 476 | M | A | 0.9959 | |
| 477 | F | A | 1.9687 | |
| 478 | V | A | 1.8781 | |
| 479 | L | A | 0.7023 | |
| 480 | E | A | -1.1520 | |
| 481 | A | A | -1.0241 | |
| 482 | K | A | -2.2243 | |
| 483 | D | A | -3.0364 | |
| 484 | Q | A | -3.4472 | |
| 485 | Q | A | -3.1350 | |
| 486 | L | A | -2.8565 | |
| 487 | R | A | -4.1309 | |
| 488 | R | A | -4.7705 | |
| 489 | E | A | -4.1031 | |
| 490 | I | A | -2.9209 | |
| 491 | E | A | -4.7422 | |
| 492 | E | A | -5.0169 | |
| 493 | Q | A | -4.0343 | |
| 494 | E | A | -4.1464 | |
| 495 | Q | A | -3.8151 | |
| 496 | Q | A | -2.9029 | |
| 497 | L | A | -1.3973 | |
| 498 | Q | A | -1.8229 | |
| 499 | W | A | -0.4233 | |
| 500 | Q | A | -1.3801 | |
| 501 | G | A | -0.7246 | |
| 502 | C | A | 0.0482 | |
| 503 | D | A | -0.7592 | |
| 504 | L | A | 1.1265 | |
| 505 | T | A | 0.4128 | |
| 506 | P | A | 0.2094 | |
| 507 | L | A | 1.2160 | |
| 508 | V | A | 1.4581 | |
| 509 | G | A | 0.2344 | |
| 510 | Q | A | -0.4700 | |
| 511 | L | A | 0.5174 | |
| 512 | S | A | -0.0781 | |
| 513 | L | A | 0.8061 | |
| 514 | G | A | -0.6191 | |
| 515 | Q | A | -1.1671 | |
| 516 | L | A | -0.2827 | |
| 517 | Q | A | -1.4859 | |
| 518 | E | A | -2.1653 | |
| 519 | V | A | 0.0897 | |
| 520 | S | A | -1.3094 | |
| 521 | K | A | -2.5053 | |
| 522 | A | A | -1.0135 | |
| 523 | L | A | 0.0217 | |
| 524 | Q | A | -1.5199 | |
| 525 | D | A | -1.8323 | |
| 526 | T | A | -0.5850 | |
| 527 | L | A | 0.4201 | |
| 528 | A | A | -0.2723 | |
| 529 | S | A | -0.2869 | |
| 530 | A | A | 0.1062 | |
| 531 | G | A | -0.1292 | |
| 532 | Q | A | -0.1256 | |
| 533 | I | A | 1.5466 | |
| 534 | P | A | 0.9638 | |
| 535 | F | A | 1.4990 | |
| 536 | H | A | -0.4200 | |
| 537 | A | A | -0.8201 | |
| 538 | E | A | -2.2224 | |
| 539 | P | A | -1.6140 | |
| 540 | P | A | -1.4906 | |
| 541 | E | A | -2.4830 | |
| 542 | T | A | -0.9564 | |
| 543 | I | A | 0.2122 | |
| 544 | R | A | -1.6020 | |
| 545 | R | A | -1.4819 | |
| 546 | C | A | 0.7331 | |
| 547 | V | A | 1.5680 |
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 | -0.341 | 5.5215 | View | CSV | PDB |
| 4.5 | -0.4365 | 5.5215 | View | CSV | PDB |
| 5.0 | -0.5596 | 5.5215 | View | CSV | PDB |
| 5.5 | -0.6907 | 5.5215 | View | CSV | PDB |
| 6.0 | -0.8108 | 5.5215 | View | CSV | PDB |
| 6.5 | -0.9071 | 5.5215 | View | CSV | PDB |
| 7.0 | -0.9757 | 5.5215 | View | CSV | PDB |
| 7.5 | -1.0218 | 5.5215 | View | CSV | PDB |
| 8.0 | -1.0535 | 5.5215 | View | CSV | PDB |
| 8.5 | -1.0734 | 5.5215 | View | CSV | PDB |
| 9.0 | -1.0796 | 5.5215 | 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