| Chain sequence(s) |
A: AKFVAAWTLKAAAEAAAKHMREVEADFAAYAQVETAIAVAAYSAEVEALEALAAYVYYADVEGFAAYDVIGFPALAAAYLTAREIAPKAAYLLVGTTLEVAAYVEGTVQFAWAAYVVYEHFGGKAAYRVRVERVALAAAYTSIEEIAQRAAYRLKDEIVAAAAYSPGCVRFVTLAAYAFLYGIAAHKAAYYPAETLPERWAAYAVLWRYALRAAYVLWRYALRLAAYEARRVVAARGSGATNFSLLKQAGDVEENPGPVYRLAYRLSGNQHDAEDLGPGPGRRHHRQLHRLARLTSRTSGPGPGEDLKLLGVHIFGTGPGPGGIGLAIAQRLAADGHKVGPGPGGIGNQANYAASKAGVIGGPGPGAVVAEAVAGDRNALREVGPGPGVVENLNADADVAGTQTGPGPGRRSARFRNVVGSTDQSGTGPGPGGNRHRLVLDDVLAYREARGSGATNFSLLKQAGDVEENPGPMDAMKRGLCCVLLLCGAVFVSPSGGSGGARVSGAAAAEAALMRALYDEHAAVLWRYALRLTGDAAQAEDVVQETLLRAWQHPEVIGDTARPARAWLFTVARNMIIDERRSARFRNVVGSTGSGHHHHHH
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 (00:07:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cfbccb9ba699da7/tmp/folded.pdb (00:07:22)
[INFO] Main: Simulation completed successfully. (00:09:50)
|
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 | A | A | 0.2379 | |
| 2 | K | A | -0.3397 | |
| 3 | F | A | 1.8495 | |
| 4 | V | A | 1.5430 | |
| 5 | A | A | 0.4455 | |
| 6 | A | A | 0.6272 | |
| 7 | W | A | 0.8384 | |
| 8 | T | A | 0.3043 | |
| 9 | L | A | -0.2458 | |
| 10 | K | A | -1.5522 | |
| 11 | A | A | -1.0259 | |
| 12 | A | A | 0.0000 | |
| 13 | A | A | -1.4327 | |
| 14 | E | A | -2.6161 | |
| 15 | A | A | -1.7166 | |
| 16 | A | A | 0.0000 | |
| 17 | A | A | -2.1276 | |
| 18 | K | A | -3.1187 | |
| 19 | H | A | -2.3428 | |
| 20 | M | A | -2.3156 | |
| 21 | R | A | -3.9417 | |
| 22 | E | A | -3.4000 | |
| 23 | V | A | -2.1328 | |
| 24 | E | A | -3.0059 | |
| 25 | A | A | -1.6834 | |
| 26 | D | A | -1.6481 | |
| 27 | F | A | 0.9542 | |
| 28 | A | A | 0.9689 | |
| 29 | A | A | 1.0428 | |
| 30 | Y | A | 1.0129 | |
| 31 | A | A | 0.1169 | |
| 32 | Q | A | -0.9675 | |
| 33 | V | A | -0.7112 | |
| 34 | E | A | -1.8708 | |
| 35 | T | A | -0.6678 | |
| 36 | A | A | -0.3531 | |
| 37 | I | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | A | A | 0.8307 | |
| 41 | A | A | 0.0000 | |
| 42 | Y | A | -0.2907 | |
| 43 | S | A | 0.0000 | |
| 44 | A | A | -1.6096 | |
| 45 | E | A | -2.4745 | |
| 46 | V | A | -1.0977 | |
| 47 | E | A | -1.9468 | |
| 48 | A | A | -0.6676 | |
| 49 | L | A | 0.5463 | |
| 50 | E | A | -1.1051 | |
| 51 | A | A | 0.0301 | |
| 52 | L | A | 0.0606 | |
| 53 | A | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | Y | A | 0.7076 | |
| 56 | V | A | 0.0000 | |
| 57 | Y | A | 0.8421 | |
| 58 | Y | A | 0.1178 | |
| 59 | A | A | -0.3003 | |
| 60 | D | A | -0.9576 | |
| 61 | V | A | 0.3386 | |
| 62 | E | A | -1.1676 | |
| 63 | G | A | -0.4578 | |
| 64 | F | A | 1.1564 | |
| 65 | A | A | 0.4373 | |
| 66 | A | A | 0.0984 | |
| 67 | Y | A | 0.1691 | |
| 68 | D | A | -0.8182 | |
| 69 | V | A | 0.1783 | |
| 70 | I | A | 0.5349 | |
| 71 | G | A | 0.1722 | |
| 72 | F | A | 0.2137 | |
| 73 | P | A | -0.3730 | |
| 74 | A | A | 0.0000 | |
| 75 | L | A | 0.0943 | |
| 76 | A | A | 0.4726 | |
| 77 | A | A | 0.6741 | |
| 78 | A | A | 1.1001 | |
| 79 | Y | A | 1.4316 | |
| 80 | L | A | 0.0000 | |
| 81 | T | A | -0.7985 | |
| 82 | A | A | -1.4936 | |
| 83 | R | A | -2.6603 | |
| 84 | E | A | -1.8447 | |
| 85 | I | A | -0.8117 | |
| 86 | A | A | -0.5024 | |
| 87 | P | A | -0.7542 | |
| 88 | K | A | -0.6031 | |
| 89 | A | A | 0.0039 | |
| 90 | A | A | 0.2314 | |
| 91 | Y | A | 0.6187 | |
| 92 | L | A | 0.5932 | |
| 93 | L | A | 0.3350 | |
| 94 | V | A | 1.0740 | |
| 95 | G | A | -0.0578 | |
| 96 | T | A | 0.2968 | |
| 97 | T | A | 0.5551 | |
| 98 | L | A | 0.0000 | |
| 99 | E | A | -0.2826 | |
| 100 | V | A | 0.0000 | |
| 101 | A | A | 0.1813 | |
| 102 | A | A | 0.0000 | |
| 103 | Y | A | 0.1733 | |
| 104 | V | A | -0.5146 | |
| 105 | E | A | -1.6369 | |
| 106 | G | A | -0.8697 | |
| 107 | T | A | -0.0195 | |
| 108 | V | A | 1.2473 | |
| 109 | Q | A | 0.1288 | |
| 110 | F | A | -0.0626 | |
| 111 | A | A | 0.0000 | |
| 112 | W | A | 0.1130 | |
| 113 | A | A | -0.3409 | |
| 114 | A | A | 0.0000 | |
| 115 | Y | A | 0.1409 | |
| 116 | V | A | 0.0000 | |
| 117 | V | A | 0.1871 | |
| 118 | Y | A | 0.8757 | |
| 119 | E | A | -1.0987 | |
| 120 | H | A | -1.5212 | |
| 121 | F | A | -0.4705 | |
| 122 | G | A | -1.2757 | |
| 123 | G | A | -1.5813 | |
| 124 | K | A | -2.1208 | |
| 125 | A | A | -0.9853 | |
| 126 | A | A | -0.4687 | |
| 127 | Y | A | 0.2269 | |
| 128 | R | A | -0.5909 | |
| 129 | V | A | -0.1824 | |
| 130 | R | A | -1.1501 | |
| 131 | V | A | -0.2018 | |
| 132 | E | A | -0.8020 | |
| 133 | R | A | -1.0748 | |
| 134 | V | A | 0.0000 | |
| 135 | A | A | 0.2499 | |
| 136 | L | A | 0.4003 | |
| 137 | A | A | 0.4082 | |
| 138 | A | A | 0.1697 | |
| 139 | A | A | 0.3832 | |
| 140 | Y | A | 0.6472 | |
| 141 | T | A | 0.4084 | |
| 142 | S | A | 0.3214 | |
| 143 | I | A | 0.6298 | |
| 144 | E | A | -1.5448 | |
| 145 | E | A | -1.1302 | |
| 146 | I | A | -0.2761 | |
| 147 | A | A | -0.7433 | |
| 148 | Q | A | -1.5442 | |
| 149 | R | A | -1.3997 | |
| 150 | A | A | -0.6996 | |
| 151 | A | A | -0.2560 | |
| 152 | Y | A | -0.2605 | |
| 153 | R | A | -2.0848 | |
| 154 | L | A | -0.6468 | |
| 155 | K | A | -2.1299 | |
| 156 | D | A | -1.8894 | |
| 157 | E | A | -1.5613 | |
| 158 | I | A | 1.1223 | |
| 159 | V | A | 0.7925 | |
| 160 | A | A | 0.2706 | |
| 161 | A | A | 0.7690 | |
| 162 | A | A | 0.9928 | |
| 163 | A | A | 1.1848 | |
| 164 | Y | A | 1.4707 | |
| 165 | S | A | 0.6010 | |
| 166 | P | A | 0.3140 | |
| 167 | G | A | 0.8168 | |
| 168 | C | A | 1.3266 | |
| 169 | V | A | 0.7901 | |
| 170 | R | A | 0.8010 | |
| 171 | F | A | 2.4629 | |
| 172 | V | A | 1.9305 | |
| 173 | T | A | 1.1715 | |
| 174 | L | A | 1.7940 | |
| 175 | A | A | 1.7986 | |
| 176 | A | A | 1.7438 | |
| 177 | Y | A | 1.6382 | |
| 178 | A | A | 1.6907 | |
| 179 | F | A | 2.7574 | |
| 180 | L | A | 2.2668 | |
| 181 | Y | A | 1.5083 | |
| 182 | G | A | 0.9933 | |
| 183 | I | A | 0.8529 | |
| 184 | A | A | 0.8207 | |
| 185 | A | A | 0.2989 | |
| 186 | H | A | -0.5890 | |
| 187 | K | A | -0.5686 | |
| 188 | A | A | 0.0137 | |
| 189 | A | A | 0.3960 | |
| 190 | Y | A | 1.2676 | |
| 191 | Y | A | 1.0560 | |
| 192 | P | A | -0.2653 | |
| 193 | A | A | -0.8649 | |
| 194 | E | A | -1.9191 | |
| 195 | T | A | -0.8754 | |
| 196 | L | A | 0.4804 | |
| 197 | P | A | -0.3147 | |
| 198 | E | A | -1.6137 | |
| 199 | R | A | -0.5645 | |
| 200 | W | A | 1.0942 | |
| 201 | A | A | 0.5695 | |
| 202 | A | A | 0.5870 | |
| 203 | Y | A | 1.3960 | |
| 204 | A | A | 0.9247 | |
| 205 | V | A | 1.4003 | |
| 206 | L | A | 1.4603 | |
| 207 | W | A | 0.7771 | |
| 208 | R | A | -0.5576 | |
| 209 | Y | A | 0.6240 | |
| 210 | A | A | 0.5754 | |
| 211 | L | A | 0.6342 | |
| 212 | R | A | -0.3799 | |
| 213 | A | A | 0.4419 | |
| 214 | A | A | 0.9711 | |
| 215 | Y | A | 1.0070 | |
| 216 | V | A | 0.0000 | |
| 217 | L | A | 1.0572 | |
| 218 | W | A | 0.4285 | |
| 219 | R | A | -1.0622 | |
| 220 | Y | A | 0.0500 | |
| 221 | A | A | 0.2709 | |
| 222 | L | A | -0.2856 | |
| 223 | R | A | -1.2485 | |
| 224 | L | A | -0.2942 | |
| 225 | A | A | -0.7838 | |
| 226 | A | A | -0.8382 | |
| 227 | Y | A | -0.5431 | |
| 228 | E | A | -1.8938 | |
| 229 | A | A | -1.2423 | |
| 230 | R | A | -2.1028 | |
| 231 | R | A | -2.4069 | |
| 232 | V | A | -0.8062 | |
| 233 | V | A | -0.0638 | |
| 234 | A | A | -1.1325 | |
| 235 | A | A | -1.1080 | |
| 236 | R | A | -1.8778 | |
| 237 | G | A | -1.3510 | |
| 238 | S | A | -0.8427 | |
| 239 | G | A | -1.3434 | |
| 240 | A | A | -0.7792 | |
| 241 | T | A | -0.1673 | |
| 242 | N | A | 0.0298 | |
| 243 | F | A | 1.5286 | |
| 244 | S | A | 0.6052 | |
| 245 | L | A | 1.3843 | |
| 246 | L | A | 1.0525 | |
| 247 | K | A | -1.0228 | |
| 248 | Q | A | -1.2928 | |
| 249 | A | A | -0.7938 | |
| 250 | G | A | -1.6527 | |
| 251 | D | A | -2.0138 | |
| 252 | V | A | -0.8218 | |
| 253 | E | A | -2.6606 | |
| 254 | E | A | -3.0885 | |
| 255 | N | A | -2.5639 | |
| 256 | P | A | -1.7151 | |
| 257 | G | A | -0.5466 | |
| 258 | P | A | 0.2308 | |
| 259 | V | A | 1.4273 | |
| 260 | Y | A | -0.1448 | |
| 261 | R | A | -0.4251 | |
| 262 | L | A | 1.2046 | |
| 263 | A | A | 0.0196 | |
| 264 | Y | A | -0.4933 | |
| 265 | R | A | -0.8351 | |
| 266 | L | A | 0.6948 | |
| 267 | S | A | -0.2906 | |
| 268 | G | A | -0.9677 | |
| 269 | N | A | -1.7350 | |
| 270 | Q | A | -2.5818 | |
| 271 | H | A | -2.7815 | |
| 272 | D | A | -2.2153 | |
| 273 | A | A | 0.0000 | |
| 274 | E | A | -3.3898 | |
| 275 | D | A | -3.2649 | |
| 276 | L | A | -1.2935 | |
| 277 | G | A | -1.2010 | |
| 278 | P | A | -0.8394 | |
| 279 | G | A | -1.2757 | |
| 280 | P | A | -1.3612 | |
| 281 | G | A | -2.0414 | |
| 282 | R | A | -3.1618 | |
| 283 | R | A | -2.8078 | |
| 284 | H | A | -2.7882 | |
| 285 | H | A | -3.0058 | |
| 286 | R | A | -3.3746 | |
| 287 | Q | A | 0.0000 | |
| 288 | L | A | -1.1953 | |
| 289 | H | A | -2.5092 | |
| 290 | R | A | -2.7146 | |
| 291 | L | A | -1.1228 | |
| 292 | A | A | -1.3521 | |
| 293 | R | A | -2.5646 | |
| 294 | L | A | -1.1635 | |
| 295 | T | A | -0.9633 | |
| 296 | S | A | -1.5840 | |
| 297 | R | A | -2.3298 | |
| 298 | T | A | -1.3389 | |
| 299 | S | A | -1.1295 | |
| 300 | G | A | -1.2341 | |
| 301 | P | A | -1.1068 | |
| 302 | G | A | -1.2187 | |
| 303 | P | A | -1.4034 | |
| 304 | G | A | -1.8529 | |
| 305 | E | A | -2.8460 | |
| 306 | D | A | -2.2993 | |
| 307 | L | A | -0.0245 | |
| 308 | K | A | -0.5444 | |
| 309 | L | A | 1.8102 | |
| 310 | L | A | 2.2019 | |
| 311 | G | A | 1.0388 | |
| 312 | V | A | 2.1409 | |
| 313 | H | A | 1.0160 | |
| 314 | I | A | 2.7810 | |
| 315 | F | A | 2.3333 | |
| 316 | G | A | 0.5517 | |
| 317 | T | A | -0.1286 | |
| 318 | G | A | -0.7345 | |
| 319 | P | A | -0.9453 | |
| 320 | G | A | -0.7074 | |
| 321 | P | A | -0.5166 | |
| 322 | G | A | -0.1798 | |
| 323 | G | A | 0.4500 | |
| 324 | I | A | 1.9797 | |
| 325 | G | A | 1.1777 | |
| 326 | L | A | 0.6790 | |
| 327 | A | A | 0.7498 | |
| 328 | I | A | 1.3873 | |
| 329 | A | A | -0.1624 | |
| 330 | Q | A | -1.2177 | |
| 331 | R | A | -1.9267 | |
| 332 | L | A | -1.2171 | |
| 333 | A | A | -1.5562 | |
| 334 | A | A | -1.5383 | |
| 335 | D | A | -2.7007 | |
| 336 | G | A | -2.0110 | |
| 337 | H | A | -1.9104 | |
| 338 | K | A | -1.6990 | |
| 339 | V | A | -0.3781 | |
| 340 | G | A | -0.5500 | |
| 341 | P | A | -0.3860 | |
| 342 | G | A | -0.1982 | |
| 343 | P | A | -0.6336 | |
| 344 | G | A | -0.7696 | |
| 345 | G | A | -0.5168 | |
| 346 | I | A | 0.0577 | |
| 347 | G | A | -0.9770 | |
| 348 | N | A | -1.7551 | |
| 349 | Q | A | -1.4595 | |
| 350 | A | A | -0.8674 | |
| 351 | N | A | -0.9346 | |
| 352 | Y | A | -0.4391 | |
| 353 | A | A | -0.8818 | |
| 354 | A | A | 0.0000 | |
| 355 | S | A | -0.4941 | |
| 356 | K | A | -1.4238 | |
| 357 | A | A | -0.7874 | |
| 358 | G | A | -0.7009 | |
| 359 | V | A | -0.1166 | |
| 360 | I | A | 0.6130 | |
| 361 | G | A | -0.1538 | |
| 362 | G | A | -0.4357 | |
| 363 | P | A | -0.1749 | |
| 364 | G | A | -0.8400 | |
| 365 | P | A | -0.4689 | |
| 366 | G | A | -0.1062 | |
| 367 | A | A | 0.9652 | |
| 368 | V | A | 2.2322 | |
| 369 | V | A | 2.0687 | |
| 370 | A | A | 0.7333 | |
| 371 | E | A | -0.4914 | |
| 372 | A | A | 0.2295 | |
| 373 | V | A | 0.8513 | |
| 374 | A | A | -0.1104 | |
| 375 | G | A | -1.4578 | |
| 376 | D | A | -2.9273 | |
| 377 | R | A | -3.2218 | |
| 378 | N | A | -2.4956 | |
| 379 | A | A | -1.1585 | |
| 380 | L | A | -0.1076 | |
| 381 | R | A | -1.6915 | |
| 382 | E | A | -1.6239 | |
| 383 | V | A | 0.3059 | |
| 384 | G | A | -0.2906 | |
| 385 | P | A | -0.6240 | |
| 386 | G | A | -0.5368 | |
| 387 | P | A | -0.2223 | |
| 388 | G | A | 0.4236 | |
| 389 | V | A | 1.7219 | |
| 390 | V | A | 1.4420 | |
| 391 | E | A | -0.9472 | |
| 392 | N | A | -1.0909 | |
| 393 | L | A | -0.1170 | |
| 394 | N | A | -1.4417 | |
| 395 | A | A | -1.1686 | |
| 396 | D | A | -2.1230 | |
| 397 | A | A | -1.3799 | |
| 398 | D | A | -1.3553 | |
| 399 | V | A | 0.6607 | |
| 400 | A | A | 0.2544 | |
| 401 | G | A | -0.5594 | |
| 402 | T | A | -0.8907 | |
| 403 | Q | A | -1.4749 | |
| 404 | T | A | -0.9610 | |
| 405 | G | A | -0.9879 | |
| 406 | P | A | -0.7733 | |
| 407 | G | A | -0.9066 | |
| 408 | P | A | -1.1384 | |
| 409 | G | A | -2.0827 | |
| 410 | R | A | -3.0720 | |
| 411 | R | A | -3.1356 | |
| 412 | S | A | -1.8093 | |
| 413 | A | A | -1.0887 | |
| 414 | R | A | -1.5283 | |
| 415 | F | A | 0.0689 | |
| 416 | R | A | -1.3296 | |
| 417 | N | A | -0.4784 | |
| 418 | V | A | 1.6676 | |
| 419 | V | A | 1.8763 | |
| 420 | G | A | 0.6951 | |
| 421 | S | A | -0.4744 | |
| 422 | T | A | -1.3929 | |
| 423 | D | A | -2.5121 | |
| 424 | Q | A | -2.3119 | |
| 425 | S | A | -1.4002 | |
| 426 | G | A | -0.9456 | |
| 427 | T | A | -0.6684 | |
| 428 | G | A | -0.8367 | |
| 429 | P | A | -0.9112 | |
| 430 | G | A | -1.0416 | |
| 431 | P | A | -1.2936 | |
| 432 | G | A | -1.7976 | |
| 433 | G | A | -2.5096 | |
| 434 | N | A | -2.8610 | |
| 435 | R | A | -2.8031 | |
| 436 | H | A | -2.2857 | |
| 437 | R | A | -2.3177 | |
| 438 | L | A | -0.1623 | |
| 439 | V | A | 0.6024 | |
| 440 | L | A | 0.6133 | |
| 441 | D | A | -0.8024 | |
| 442 | D | A | -0.2517 | |
| 443 | V | A | 1.1167 | |
| 444 | L | A | 0.2525 | |
| 445 | A | A | -0.6818 | |
| 446 | Y | A | -0.4527 | |
| 447 | R | A | -2.5177 | |
| 448 | E | A | -2.7308 | |
| 449 | A | A | -1.9839 | |
| 450 | R | A | -3.0903 | |
| 451 | G | A | -2.4150 | |
| 452 | S | A | -1.8817 | |
| 453 | G | A | -1.3679 | |
| 454 | A | A | -0.5745 | |
| 455 | T | A | -0.2410 | |
| 456 | N | A | -0.2968 | |
| 457 | F | A | 1.2181 | |
| 458 | S | A | 0.3059 | |
| 459 | L | A | 0.6212 | |
| 460 | L | A | 0.4373 | |
| 461 | K | A | -1.3880 | |
| 462 | Q | A | -1.4767 | |
| 463 | A | A | -1.0218 | |
| 464 | G | A | -1.6721 | |
| 465 | D | A | -2.0878 | |
| 466 | V | A | -1.0748 | |
| 467 | E | A | -2.7032 | |
| 468 | E | A | -3.0729 | |
| 469 | N | A | -2.6218 | |
| 470 | P | A | -2.2295 | |
| 471 | G | A | -1.1789 | |
| 472 | P | A | -0.6319 | |
| 473 | M | A | -0.7366 | |
| 474 | D | A | -1.9357 | |
| 475 | A | A | -1.4399 | |
| 476 | M | A | -1.0526 | |
| 477 | K | A | -2.3263 | |
| 478 | R | A | -2.1136 | |
| 479 | G | A | -0.2374 | |
| 480 | L | A | 0.6483 | |
| 481 | C | A | 1.1737 | |
| 482 | C | A | 1.7214 | |
| 483 | V | A | 2.6476 | |
| 484 | L | A | 2.5841 | |
| 485 | L | A | 3.4607 | |
| 486 | L | A | 3.6631 | |
| 487 | C | A | 2.9281 | |
| 488 | G | A | 2.6988 | |
| 489 | A | A | 2.9865 | |
| 490 | V | A | 3.7224 | |
| 491 | F | A | 3.6573 | |
| 492 | V | A | 2.9682 | |
| 493 | S | A | 1.2885 | |
| 494 | P | A | 0.0702 | |
| 495 | S | A | -0.5935 | |
| 496 | G | A | -1.0656 | |
| 497 | G | A | -1.1430 | |
| 498 | S | A | -1.1011 | |
| 499 | G | A | -1.2543 | |
| 500 | G | A | -1.2066 | |
| 501 | A | A | -1.1478 | |
| 502 | R | A | -1.6758 | |
| 503 | V | A | -0.0200 | |
| 504 | S | A | -0.3263 | |
| 505 | G | A | -0.8503 | |
| 506 | A | A | -0.4788 | |
| 507 | A | A | -0.3281 | |
| 508 | A | A | -0.3515 | |
| 509 | A | A | -0.4335 | |
| 510 | E | A | -1.1040 | |
| 511 | A | A | -0.5620 | |
| 512 | A | A | -0.5086 | |
| 513 | L | A | -0.0990 | |
| 514 | M | A | -0.7450 | |
| 515 | R | A | -2.2969 | |
| 516 | A | A | -1.6858 | |
| 517 | L | A | 0.0000 | |
| 518 | Y | A | -1.6042 | |
| 519 | D | A | -2.8786 | |
| 520 | E | A | -2.8895 | |
| 521 | H | A | -1.3006 | |
| 522 | A | A | 0.0000 | |
| 523 | A | A | -0.4449 | |
| 524 | V | A | 0.1439 | |
| 525 | L | A | 0.0000 | |
| 526 | W | A | -0.8605 | |
| 527 | R | A | -1.3496 | |
| 528 | Y | A | -0.5548 | |
| 529 | A | A | 0.0000 | |
| 530 | L | A | -1.4092 | |
| 531 | R | A | -1.9805 | |
| 532 | L | A | -0.8059 | |
| 533 | T | A | -1.2272 | |
| 534 | G | A | -1.5816 | |
| 535 | D | A | -1.9331 | |
| 536 | A | A | -1.6752 | |
| 537 | A | A | -1.4326 | |
| 538 | Q | A | -1.8316 | |
| 539 | A | A | 0.0000 | |
| 540 | E | A | -3.1376 | |
| 541 | D | A | -3.3549 | |
| 542 | V | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | Q | A | -2.6744 | |
| 545 | E | A | -2.8996 | |
| 546 | T | A | 0.0000 | |
| 547 | L | A | 0.0000 | |
| 548 | L | A | -0.8452 | |
| 549 | R | A | -2.0645 | |
| 550 | A | A | 0.0000 | |
| 551 | W | A | -0.6732 | |
| 552 | Q | A | -1.6240 | |
| 553 | H | A | -1.6181 | |
| 554 | P | A | -1.7613 | |
| 555 | E | A | -2.3730 | |
| 556 | V | A | 0.0000 | |
| 557 | I | A | -1.0448 | |
| 558 | G | A | -1.4350 | |
| 559 | D | A | -1.6230 | |
| 560 | T | A | -0.8789 | |
| 561 | A | A | -0.5864 | |
| 562 | R | A | -1.0730 | |
| 563 | P | A | -1.1157 | |
| 564 | A | A | -1.2042 | |
| 565 | R | A | -1.6361 | |
| 566 | A | A | -0.6794 | |
| 567 | W | A | -0.4014 | |
| 568 | L | A | 0.0000 | |
| 569 | F | A | -0.3083 | |
| 570 | T | A | -0.5934 | |
| 571 | V | A | -0.7396 | |
| 572 | A | A | 0.0000 | |
| 573 | R | A | -1.4193 | |
| 574 | N | A | -1.6956 | |
| 575 | M | A | -1.7514 | |
| 576 | I | A | 0.0000 | |
| 577 | I | A | -1.7617 | |
| 578 | D | A | -3.3833 | |
| 579 | E | A | -2.7325 | |
| 580 | R | A | -2.8223 | |
| 581 | R | A | -3.3471 | |
| 582 | S | A | -2.2439 | |
| 583 | A | A | -2.2440 | |
| 584 | R | A | -2.3746 | |
| 585 | F | A | 0.0882 | |
| 586 | R | A | -1.4270 | |
| 587 | N | A | -1.2008 | |
| 588 | V | A | 1.3295 | |
| 589 | V | A | 1.4413 | |
| 590 | G | A | -0.1571 | |
| 591 | S | A | 0.1364 | |
| 592 | T | A | 0.0632 | |
| 593 | G | A | -0.3949 | |
| 594 | S | A | -0.9423 | |
| 595 | G | A | -1.5760 | |
| 596 | H | A | -2.2576 | |
| 597 | H | A | -2.4808 | |
| 598 | H | A | -2.6750 | |
| 599 | H | A | -2.5942 | |
| 600 | H | A | -2.3326 | |
| 601 | H | A | -1.8200 |
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 | -0.1404 | 5.9835 | View | CSV | PDB |
| 4.5 | -0.2162 | 5.9835 | View | CSV | PDB |
| 5.0 | -0.3138 | 5.9835 | View | CSV | PDB |
| 5.5 | -0.4152 | 5.9835 | View | CSV | PDB |
| 6.0 | -0.5033 | 5.9835 | View | CSV | PDB |
| 6.5 | -0.5677 | 5.9835 | View | CSV | PDB |
| 7.0 | -0.6074 | 5.9835 | View | CSV | PDB |
| 7.5 | -0.6293 | 5.9835 | View | CSV | PDB |
| 8.0 | -0.6414 | 5.9835 | View | CSV | PDB |
| 8.5 | -0.6463 | 5.9835 | View | CSV | PDB |
| 9.0 | -0.6424 | 5.9835 | 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