| Chain sequence(s) |
A: GSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNI
B: GSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYN input PDB |
| Selected Chain(s) | A,B |
| 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 all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max 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 (00:08:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/be23cda9861593b/tmp/folded.pdb (00:08:40)
[INFO] Main: Simulation completed successfully. (00:12:11)
|
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 |
|---|---|---|---|---|
| 58 | G | A | -0.3346 | |
| 59 | S | A | 0.0440 | |
| 60 | F | A | 0.8634 | |
| 61 | V | A | 1.1496 | |
| 62 | E | A | -0.5696 | |
| 63 | M | A | 0.0000 | |
| 64 | V | A | -0.0955 | |
| 65 | D | A | -1.1776 | |
| 66 | N | A | -1.0378 | |
| 67 | L | A | 0.0000 | |
| 68 | R | A | -0.4873 | |
| 69 | G | A | 0.0000 | |
| 70 | K | A | -0.6495 | |
| 71 | S | A | 0.0000 | |
| 72 | G | A | -0.6009 | |
| 73 | Q | A | -0.8721 | |
| 74 | G | A | -0.6020 | |
| 75 | Y | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | E | A | -1.2069 | |
| 79 | M | A | 0.0000 | |
| 80 | T | A | -0.3580 | |
| 81 | V | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | S | A | -0.0284 | |
| 84 | P | A | -0.1857 | |
| 85 | P | A | -0.2532 | |
| 86 | Q | A | -0.3254 | |
| 87 | T | A | -0.4907 | |
| 88 | L | A | 0.0000 | |
| 89 | N | A | -0.6586 | |
| 90 | I | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | D | A | 0.0000 | |
| 94 | T | A | 0.0000 | |
| 95 | G | A | -0.0164 | |
| 96 | S | A | -0.2321 | |
| 97 | S | A | 0.0000 | |
| 98 | N | A | 0.0000 | |
| 99 | F | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | A | A | -0.5818 | |
| 104 | A | A | -0.6229 | |
| 105 | P | A | -0.6519 | |
| 106 | H | A | -0.4792 | |
| 107 | P | A | -0.0244 | |
| 108 | F | A | 0.4544 | |
| 109 | L | A | -0.2921 | |
| 110 | H | A | -1.1042 | |
| 111 | R | A | -1.1368 | |
| 112 | Y | A | -0.5046 | |
| 113 | Y | A | 0.0000 | |
| 114 | Q | A | -0.5086 | |
| 115 | R | A | -0.9554 | |
| 116 | Q | A | -0.7921 | |
| 117 | L | A | 0.4984 | |
| 118 | S | A | 0.0000 | |
| 119 | S | A | -0.3277 | |
| 120 | T | A | -0.5258 | |
| 121 | Y | A | -0.9538 | |
| 122 | R | A | -2.3493 | |
| 123 | D | A | -2.5026 | |
| 124 | L | A | -1.7884 | |
| 125 | R | A | -3.0174 | |
| 126 | K | A | -2.7023 | |
| 127 | G | A | -1.8107 | |
| 128 | V | A | 0.0000 | |
| 129 | Y | A | -0.3497 | |
| 130 | V | A | 0.0000 | |
| 131 | P | A | -0.5998 | |
| 132 | Y | A | -0.3302 | |
| 133 | T | A | -0.5351 | |
| 134 | Q | A | -1.8558 | |
| 135 | G | A | -2.1121 | |
| 136 | K | A | -2.1317 | |
| 137 | W | A | 0.0000 | |
| 138 | E | A | -1.9065 | |
| 139 | G | A | 0.0000 | |
| 140 | E | A | -2.0986 | |
| 141 | L | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | T | A | -0.7729 | |
| 144 | D | A | 0.0000 | |
| 145 | L | A | -0.0059 | |
| 146 | V | A | 0.0000 | |
| 147 | S | A | -0.4870 | |
| 148 | I | A | 0.0000 | |
| 149 | P | A | -1.1440 | |
| 150 | H | A | -1.6701 | |
| 151 | G | A | 0.0000 | |
| 152 | P | A | -0.9874 | |
| 153 | N | A | -1.4355 | |
| 154 | V | A | -0.5899 | |
| 155 | T | A | -0.2831 | |
| 156 | V | A | 0.0000 | |
| 157 | R | A | -0.5166 | |
| 158 | A | A | 0.0000 | |
| 159 | N | A | -0.5038 | |
| 160 | I | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | T | A | -1.3945 | |
| 165 | E | A | -2.6803 | |
| 166 | S | A | -2.5850 | |
| 167 | D | A | -3.4902 | |
| 168 | K | A | -2.8797 | |
| 169 | F | A | -1.6181 | |
| 170 | F | A | 0.0000 | |
| 171 | I | A | -0.1807 | |
| 172 | N | A | -0.9613 | |
| 173 | G | A | -0.8488 | |
| 174 | S | A | 0.0000 | |
| 175 | N | A | -0.6832 | |
| 176 | W | A | 0.0000 | |
| 177 | E | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | Y | A | 0.0000 | |
| 185 | A | A | -2.0297 | |
| 186 | E | A | -2.7473 | |
| 187 | I | A | -1.3393 | |
| 188 | A | A | 0.0000 | |
| 189 | R | A | -1.6944 | |
| 190 | P | A | -1.4536 | |
| 191 | D | A | -2.6273 | |
| 192 | D | A | -3.1779 | |
| 193 | S | A | -1.8431 | |
| 194 | L | A | -1.4115 | |
| 195 | E | A | -1.4277 | |
| 196 | P | A | 0.0000 | |
| 197 | F | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | D | A | -1.1393 | |
| 200 | S | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | V | A | -1.2175 | |
| 203 | K | A | -2.2672 | |
| 204 | Q | A | -1.7833 | |
| 205 | T | A | -1.2152 | |
| 206 | H | A | -1.4339 | |
| 207 | V | A | 0.0000 | |
| 208 | P | A | -0.7368 | |
| 209 | N | A | -0.9708 | |
| 210 | L | A | -0.3959 | |
| 211 | F | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | Q | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | C | A | 0.0617 | |
| 217 | G | A | 0.3550 | |
| 218 | A | A | 0.7865 | |
| 219 | G | A | 0.7924 | |
| 220 | F | A | 1.4152 | |
| 221 | P | A | -0.2657 | |
| 222 | L | A | -0.8128 | |
| 223 | N | A | -2.0514 | |
| 224 | Q | A | -2.0359 | |
| 225 | S | A | -1.3148 | |
| 226 | E | A | -1.2437 | |
| 227 | V | A | -0.7163 | |
| 228 | L | A | -0.0640 | |
| 229 | A | A | 0.1494 | |
| 230 | S | A | 0.3668 | |
| 231 | V | A | 0.9452 | |
| 232 | G | A | 0.0000 | |
| 233 | G | A | 0.0000 | |
| 234 | S | A | 0.0000 | |
| 235 | M | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | G | A | -0.1261 | |
| 239 | G | A | 0.0000 | |
| 240 | I | A | 0.1229 | |
| 241 | D | A | 0.0000 | |
| 242 | H | A | -1.1324 | |
| 243 | S | A | -0.4918 | |
| 244 | L | A | 0.0000 | |
| 245 | Y | A | -0.1415 | |
| 246 | T | A | -0.3131 | |
| 247 | G | A | -0.6097 | |
| 248 | S | A | -0.3169 | |
| 249 | L | A | 0.1675 | |
| 250 | W | A | -0.1984 | |
| 251 | Y | A | -0.1932 | |
| 252 | T | A | 0.0000 | |
| 253 | P | A | -1.4003 | |
| 254 | I | A | 0.0000 | |
| 255 | R | A | -1.9230 | |
| 256 | R | A | -2.3944 | |
| 257 | E | A | -2.2155 | |
| 258 | W | A | -1.3785 | |
| 259 | Y | A | -0.4871 | |
| 260 | Y | A | 0.0000 | |
| 261 | E | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | R | A | -1.0686 | |
| 267 | V | A | 0.0000 | |
| 268 | E | A | -1.7015 | |
| 269 | I | A | 0.0000 | |
| 270 | N | A | -1.6603 | |
| 271 | G | A | -1.7407 | |
| 272 | Q | A | -2.4299 | |
| 273 | D | A | -2.3726 | |
| 274 | L | A | -1.8189 | |
| 275 | K | A | -2.5614 | |
| 276 | M | A | -1.8467 | |
| 277 | D | A | -2.0809 | |
| 278 | C | A | -1.4054 | |
| 279 | K | A | -1.4349 | |
| 280 | E | A | -0.8265 | |
| 281 | Y | A | 0.0000 | |
| 282 | N | A | 0.0000 | |
| 283 | Y | A | -0.0079 | |
| 284 | D | A | -0.2106 | |
| 285 | K | A | 0.0000 | |
| 286 | S | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | D | A | 0.0000 | |
| 290 | S | A | 0.0000 | |
| 291 | G | A | -0.4204 | |
| 292 | T | A | -0.3763 | |
| 293 | T | A | -0.4862 | |
| 294 | N | A | -0.5338 | |
| 295 | L | A | 0.0000 | |
| 296 | R | A | -1.0171 | |
| 297 | L | A | 0.0000 | |
| 298 | P | A | 0.0000 | |
| 299 | K | A | -1.8441 | |
| 300 | K | A | -1.7039 | |
| 301 | V | A | 0.0000 | |
| 302 | F | A | 0.0000 | |
| 303 | E | A | -1.2961 | |
| 304 | A | A | -1.0359 | |
| 305 | A | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | K | A | -1.2779 | |
| 308 | S | A | -1.1627 | |
| 309 | I | A | 0.0000 | |
| 310 | K | A | -1.5647 | |
| 311 | A | A | -0.9214 | |
| 312 | A | A | -0.6995 | |
| 313 | S | A | 0.0000 | |
| 314 | S | A | -1.1054 | |
| 315 | T | A | -0.9302 | |
| 316 | E | A | -1.6840 | |
| 317 | K | A | -2.4924 | |
| 318 | F | A | 0.0000 | |
| 319 | P | A | -1.4549 | |
| 320 | D | A | -2.1545 | |
| 321 | G | A | -1.4495 | |
| 322 | F | A | 0.0000 | |
| 323 | W | A | 0.0000 | |
| 324 | L | A | 0.0419 | |
| 325 | G | A | -0.9592 | |
| 326 | E | A | -2.1819 | |
| 327 | Q | A | -2.0079 | |
| 328 | L | A | -0.7775 | |
| 329 | V | A | 0.0000 | |
| 330 | C | A | -0.8622 | |
| 331 | W | A | 0.0000 | |
| 332 | Q | A | -1.9907 | |
| 333 | A | A | -1.6227 | |
| 334 | G | A | -1.1905 | |
| 335 | T | A | -0.8045 | |
| 336 | T | A | 0.0000 | |
| 337 | P | A | -0.4231 | |
| 338 | W | A | -0.3159 | |
| 339 | N | A | -0.8311 | |
| 340 | I | A | -0.4293 | |
| 341 | F | A | 0.0000 | |
| 342 | P | A | 0.0000 | |
| 343 | V | A | -0.3601 | |
| 344 | I | A | 0.0000 | |
| 345 | S | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | Y | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | M | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | E | A | -1.1139 | |
| 352 | V | A | 0.6017 | |
| 353 | T | A | -0.0072 | |
| 354 | N | A | -0.1704 | |
| 355 | Q | A | 0.4280 | |
| 356 | S | A | 0.0000 | |
| 357 | F | A | 0.0000 | |
| 358 | R | A | -0.7262 | |
| 359 | I | A | 0.0000 | |
| 360 | T | A | -0.3027 | |
| 361 | I | A | 0.0000 | |
| 362 | L | A | 0.0000 | |
| 363 | P | A | 0.0000 | |
| 364 | Q | A | 0.0000 | |
| 365 | Q | A | 0.0000 | |
| 366 | Y | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | R | A | -0.1689 | |
| 369 | P | A | 0.0464 | |
| 370 | V | A | -0.3515 | |
| 371 | E | A | -1.5844 | |
| 372 | D | A | -0.5790 | |
| 373 | V | A | 1.3099 | |
| 374 | A | A | 0.2306 | |
| 375 | T | A | -0.5582 | |
| 376 | S | A | -1.1870 | |
| 377 | Q | A | -2.3038 | |
| 378 | D | A | -2.4965 | |
| 379 | D | A | -1.5893 | |
| 380 | C | A | 0.0000 | |
| 381 | Y | A | 0.0000 | |
| 382 | K | A | -0.9051 | |
| 383 | F | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | S | A | -0.6625 | |
| 387 | Q | A | -1.2377 | |
| 388 | S | A | 0.0000 | |
| 389 | S | A | -0.7997 | |
| 390 | T | A | -0.4914 | |
| 391 | G | A | 0.0000 | |
| 392 | T | A | 0.0000 | |
| 393 | V | A | 0.0000 | |
| 394 | M | A | 0.0000 | |
| 395 | G | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | V | A | 0.0000 | |
| 398 | I | A | 0.0000 | |
| 399 | M | A | 0.0000 | |
| 400 | E | A | 0.0000 | |
| 401 | G | A | 0.0000 | |
| 402 | F | A | 0.0000 | |
| 403 | Y | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | V | A | 0.0000 | |
| 406 | F | A | 0.0000 | |
| 407 | D | A | 0.0000 | |
| 408 | R | A | 0.0000 | |
| 409 | A | A | -1.3548 | |
| 410 | R | A | -2.4872 | |
| 411 | K | A | -2.5920 | |
| 412 | R | A | -1.9328 | |
| 413 | I | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | F | A | 0.0000 | |
| 416 | A | A | 0.0000 | |
| 417 | V | A | 0.1211 | |
| 418 | S | A | 0.0000 | |
| 419 | A | A | 0.0751 | |
| 420 | C | A | 0.2128 | |
| 421 | H | A | 0.0243 | |
| 422 | V | A | 0.0973 | |
| 423 | H | A | -0.9279 | |
| 424 | D | A | -1.1368 | |
| 425 | E | A | -1.3000 | |
| 426 | F | A | 0.4791 | |
| 427 | R | A | -0.3224 | |
| 428 | T | A | -0.3500 | |
| 429 | A | A | 0.0000 | |
| 430 | A | A | -0.3143 | |
| 431 | V | A | -0.4041 | |
| 432 | E | A | -0.9964 | |
| 433 | G | A | -0.5026 | |
| 434 | P | A | 0.0758 | |
| 435 | F | A | 0.8610 | |
| 436 | V | A | 1.9295 | |
| 437 | T | A | 0.8920 | |
| 438 | L | A | 0.3213 | |
| 439 | D | A | -2.3617 | |
| 440 | M | A | 0.0000 | |
| 441 | E | A | -3.1851 | |
| 442 | D | A | -3.3067 | |
| 443 | C | A | 0.0000 | |
| 444 | G | A | 0.0000 | |
| 445 | Y | A | -0.4898 | |
| 446 | N | A | -0.4107 | |
| 447 | I | A | 1.4377 | |
| 58 | G | B | -0.5201 | |
| 59 | S | B | -0.1292 | |
| 60 | F | B | 0.5386 | |
| 61 | V | B | 0.7313 | |
| 62 | E | B | -1.4814 | |
| 63 | M | B | 0.0000 | |
| 64 | V | B | -0.3073 | |
| 65 | D | B | -1.3800 | |
| 66 | N | B | -1.2014 | |
| 67 | L | B | 0.0000 | |
| 68 | R | B | -0.3909 | |
| 69 | G | B | 0.0000 | |
| 70 | K | B | -0.5709 | |
| 71 | S | B | 0.0000 | |
| 72 | G | B | -0.7621 | |
| 73 | Q | B | -0.5812 | |
| 74 | G | B | -0.4443 | |
| 75 | Y | B | 0.0000 | |
| 76 | Y | B | 0.0000 | |
| 77 | V | B | 0.0000 | |
| 78 | E | B | -1.1994 | |
| 79 | M | B | 0.0000 | |
| 80 | T | B | -0.3749 | |
| 81 | V | B | 0.0000 | |
| 82 | G | B | 0.0000 | |
| 83 | S | B | -0.0567 | |
| 84 | P | B | -0.2109 | |
| 85 | P | B | -0.2739 | |
| 86 | Q | B | -0.3817 | |
| 87 | T | B | -0.5404 | |
| 88 | L | B | 0.0000 | |
| 89 | N | B | -0.6683 | |
| 90 | I | B | 0.0000 | |
| 91 | L | B | 0.0000 | |
| 92 | V | B | 0.0000 | |
| 93 | D | B | 0.0000 | |
| 94 | T | B | 0.0000 | |
| 95 | G | B | -0.0666 | |
| 96 | S | B | -0.1357 | |
| 97 | S | B | 0.0000 | |
| 98 | N | B | 0.0000 | |
| 99 | F | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | G | B | 0.0000 | |
| 103 | A | B | -0.4850 | |
| 104 | A | B | -0.4469 | |
| 105 | P | B | -0.6146 | |
| 106 | H | B | -0.4709 | |
| 107 | P | B | -0.1461 | |
| 108 | F | B | 0.2308 | |
| 109 | L | B | -0.4655 | |
| 110 | H | B | -1.3310 | |
| 111 | R | B | -1.4939 | |
| 112 | Y | B | -0.6597 | |
| 113 | Y | B | 0.0000 | |
| 114 | Q | B | -0.5662 | |
| 115 | R | B | -0.9743 | |
| 116 | Q | B | -0.8258 | |
| 117 | L | B | 0.4112 | |
| 118 | S | B | 0.0000 | |
| 119 | S | B | -0.3535 | |
| 120 | T | B | -0.5409 | |
| 121 | Y | B | -0.9889 | |
| 122 | R | B | -2.3991 | |
| 123 | D | B | -2.6827 | |
| 124 | L | B | -2.1472 | |
| 125 | R | B | -3.3169 | |
| 126 | K | B | -3.1609 | |
| 127 | G | B | -1.9617 | |
| 128 | V | B | 0.0000 | |
| 129 | Y | B | 0.3076 | |
| 130 | V | B | 0.0000 | |
| 131 | P | B | 0.2884 | |
| 132 | Y | B | 0.5028 | |
| 133 | T | B | -0.3295 | |
| 134 | Q | B | -1.4922 | |
| 135 | G | B | -1.1989 | |
| 136 | K | B | -0.4965 | |
| 137 | W | B | 0.0000 | |
| 138 | E | B | -0.4231 | |
| 139 | G | B | 0.0000 | |
| 140 | E | B | -2.0809 | |
| 141 | L | B | 0.0000 | |
| 142 | G | B | 0.0000 | |
| 143 | T | B | -0.8214 | |
| 144 | D | B | 0.0000 | |
| 145 | L | B | -0.0139 | |
| 146 | V | B | 0.0000 | |
| 147 | S | B | -0.5041 | |
| 148 | I | B | 0.0000 | |
| 149 | P | B | -1.3366 | |
| 150 | H | B | -1.9806 | |
| 151 | G | B | 0.0000 | |
| 152 | P | B | -1.1433 | |
| 153 | N | B | -1.5470 | |
| 154 | V | B | -0.6090 | |
| 155 | T | B | -0.3099 | |
| 156 | V | B | 0.0000 | |
| 157 | R | B | -0.5415 | |
| 158 | A | B | 0.0000 | |
| 159 | N | B | -0.5323 | |
| 160 | I | B | 0.0000 | |
| 161 | A | B | 0.0000 | |
| 162 | A | B | 0.0000 | |
| 163 | I | B | 0.0000 | |
| 164 | T | B | -0.6765 | |
| 165 | E | B | -1.0326 | |
| 166 | S | B | -1.0414 | |
| 167 | D | B | -1.5764 | |
| 168 | K | B | -1.7666 | |
| 169 | F | B | -0.4834 | |
| 170 | F | B | 0.0000 | |
| 171 | I | B | 0.2888 | |
| 172 | N | B | -0.7121 | |
| 173 | G | B | -0.5640 | |
| 174 | S | B | 0.0000 | |
| 175 | N | B | -0.5443 | |
| 176 | W | B | 0.0000 | |
| 177 | E | B | 0.0000 | |
| 178 | G | B | 0.0000 | |
| 179 | I | B | 0.0000 | |
| 180 | L | B | 0.0000 | |
| 181 | G | B | 0.0000 | |
| 182 | L | B | 0.0000 | |
| 183 | A | B | 0.0000 | |
| 184 | Y | B | 0.0000 | |
| 185 | A | B | -1.8741 | |
| 186 | E | B | -2.4049 | |
| 187 | I | B | -1.3965 | |
| 188 | A | B | 0.0000 | |
| 189 | R | B | -1.9687 | |
| 190 | P | B | -1.8055 | |
| 191 | D | B | -2.9859 | |
| 192 | D | B | -3.2449 | |
| 193 | S | B | -1.9092 | |
| 194 | L | B | -1.4940 | |
| 195 | E | B | -1.3554 | |
| 196 | P | B | 0.0000 | |
| 197 | F | B | 0.0000 | |
| 198 | F | B | 0.0000 | |
| 199 | D | B | -0.9924 | |
| 200 | S | B | 0.0000 | |
| 201 | L | B | 0.0000 | |
| 202 | V | B | -1.2850 | |
| 203 | K | B | -2.3428 | |
| 204 | Q | B | -1.9536 | |
| 205 | T | B | -1.4577 | |
| 206 | H | B | -1.5008 | |
| 207 | V | B | 0.0000 | |
| 208 | P | B | -0.7759 | |
| 209 | N | B | -1.0106 | |
| 210 | L | B | -0.4240 | |
| 211 | F | B | 0.0000 | |
| 212 | S | B | 0.0000 | |
| 213 | L | B | 0.0000 | |
| 214 | Q | B | 0.0000 | |
| 215 | L | B | 0.0000 | |
| 216 | C | B | 0.0937 | |
| 217 | G | B | 0.3577 | |
| 218 | A | B | 0.7987 | |
| 219 | G | B | 0.7259 | |
| 220 | F | B | 1.4307 | |
| 221 | P | B | -0.2571 | |
| 222 | L | B | -0.8246 | |
| 223 | N | B | -2.0766 | |
| 224 | Q | B | -2.0284 | |
| 225 | S | B | -1.3185 | |
| 226 | E | B | -1.2439 | |
| 227 | V | B | 0.0000 | |
| 228 | L | B | -0.0432 | |
| 229 | A | B | 0.1695 | |
| 230 | S | B | 0.3948 | |
| 231 | V | B | 1.0129 | |
| 232 | G | B | 0.0000 | |
| 233 | G | B | 0.0000 | |
| 234 | S | B | 0.0000 | |
| 235 | M | B | 0.0000 | |
| 236 | I | B | 0.0000 | |
| 237 | I | B | 0.0000 | |
| 238 | G | B | 0.0000 | |
| 239 | G | B | -0.0943 | |
| 240 | I | B | -0.0008 | |
| 241 | D | B | 0.0000 | |
| 242 | H | B | -1.1427 | |
| 243 | S | B | -0.4069 | |
| 244 | L | B | 0.0000 | |
| 245 | Y | B | -0.1453 | |
| 246 | T | B | -0.3106 | |
| 247 | G | B | -0.5985 | |
| 248 | S | B | -0.3086 | |
| 249 | L | B | 0.1657 | |
| 250 | W | B | -0.1836 | |
| 251 | Y | B | -0.1394 | |
| 252 | T | B | 0.0000 | |
| 253 | P | B | -1.2738 | |
| 254 | I | B | 0.0000 | |
| 255 | R | B | -1.7262 | |
| 256 | R | B | -1.9676 | |
| 257 | E | B | -1.8843 | |
| 258 | W | B | -1.1359 | |
| 259 | Y | B | -0.4312 | |
| 260 | Y | B | 0.0000 | |
| 261 | E | B | 0.0000 | |
| 262 | V | B | 0.0000 | |
| 263 | I | B | 0.0000 | |
| 264 | I | B | 0.0000 | |
| 265 | V | B | 0.0000 | |
| 266 | R | B | -1.1391 | |
| 267 | V | B | 0.0000 | |
| 268 | E | B | -1.7212 | |
| 269 | I | B | 0.0000 | |
| 270 | N | B | -1.7725 | |
| 271 | G | B | -1.7922 | |
| 272 | Q | B | -2.4480 | |
| 273 | D | B | -2.3444 | |
| 274 | L | B | -1.8576 | |
| 275 | K | B | -2.4959 | |
| 276 | M | B | -2.0275 | |
| 277 | D | B | -2.5380 | |
| 278 | C | B | -1.9195 | |
| 279 | K | B | -1.7348 | |
| 280 | E | B | -1.4029 | |
| 281 | Y | B | 0.0000 | |
| 282 | N | B | 0.0000 | |
| 283 | Y | B | -0.4191 | |
| 284 | D | B | -0.7136 | |
| 285 | K | B | -0.5154 | |
| 286 | S | B | 0.0000 | |
| 287 | I | B | 0.0000 | |
| 288 | V | B | 0.0000 | |
| 289 | D | B | 0.0000 | |
| 290 | S | B | 0.0000 | |
| 291 | G | B | -0.4116 | |
| 292 | T | B | -0.3817 | |
| 293 | T | B | -0.5180 | |
| 294 | N | B | -0.5693 | |
| 295 | L | B | 0.0000 | |
| 296 | R | B | -1.0332 | |
| 297 | L | B | 0.0000 | |
| 298 | P | B | 0.0000 | |
| 299 | K | B | -3.0990 | |
| 300 | K | B | -2.9738 | |
| 301 | V | B | 0.0000 | |
| 302 | F | B | 0.0000 | |
| 303 | E | B | -2.7476 | |
| 304 | A | B | -2.0525 | |
| 305 | A | B | 0.0000 | |
| 306 | V | B | 0.0000 | |
| 307 | K | B | -2.3120 | |
| 308 | S | B | -1.6887 | |
| 309 | I | B | 0.0000 | |
| 310 | K | B | -1.8540 | |
| 311 | A | B | -0.9603 | |
| 312 | A | B | -0.6975 | |
| 313 | S | B | 0.0000 | |
| 314 | S | B | -1.0010 | |
| 315 | T | B | -0.8532 | |
| 316 | E | B | -1.5807 | |
| 317 | K | B | -2.3651 | |
| 318 | F | B | -1.4006 | |
| 319 | P | B | -1.3478 | |
| 320 | D | B | -2.1449 | |
| 321 | G | B | -1.4276 | |
| 322 | F | B | 0.0000 | |
| 323 | W | B | 0.0000 | |
| 324 | L | B | -0.1033 | |
| 325 | G | B | -1.0150 | |
| 326 | E | B | -2.2248 | |
| 327 | Q | B | -2.0037 | |
| 328 | L | B | -0.6569 | |
| 329 | V | B | -0.0337 | |
| 330 | C | B | -0.6706 | |
| 331 | W | B | 0.0000 | |
| 332 | Q | B | -1.9921 | |
| 333 | A | B | -1.6325 | |
| 334 | G | B | -1.1967 | |
| 335 | T | B | -0.8032 | |
| 336 | T | B | 0.0000 | |
| 337 | P | B | -0.4223 | |
| 338 | W | B | -0.3231 | |
| 339 | N | B | -0.8299 | |
| 340 | I | B | -0.4204 | |
| 341 | F | B | 0.0000 | |
| 342 | P | B | 0.0000 | |
| 343 | V | B | -0.4050 | |
| 344 | I | B | 0.0000 | |
| 345 | S | B | 0.0000 | |
| 346 | L | B | 0.0000 | |
| 347 | Y | B | 0.0000 | |
| 348 | L | B | 0.0000 | |
| 349 | M | B | -0.4200 | |
| 350 | G | B | 0.0000 | |
| 351 | E | B | -1.0613 | |
| 352 | V | B | 0.6251 | |
| 353 | T | B | 0.0371 | |
| 354 | N | B | -0.0805 | |
| 355 | Q | B | 0.6147 | |
| 356 | S | B | 0.0000 | |
| 357 | F | B | 0.0000 | |
| 358 | R | B | -0.6911 | |
| 359 | I | B | 0.0000 | |
| 360 | T | B | 0.0000 | |
| 361 | I | B | 0.0000 | |
| 362 | L | B | 0.0000 | |
| 363 | P | B | 0.0000 | |
| 364 | Q | B | 0.0000 | |
| 365 | Q | B | 0.0000 | |
| 366 | Y | B | 0.0000 | |
| 367 | L | B | 0.0000 | |
| 368 | R | B | -0.1452 | |
| 369 | P | B | 0.0604 | |
| 370 | V | B | -0.3623 | |
| 371 | E | B | -1.6079 | |
| 372 | D | B | -0.5500 | |
| 373 | V | B | 1.2951 | |
| 374 | A | B | 0.2227 | |
| 375 | T | B | -0.5465 | |
| 376 | S | B | -1.1957 | |
| 377 | Q | B | -2.2974 | |
| 378 | D | B | -2.4723 | |
| 379 | D | B | -1.5592 | |
| 380 | C | B | 0.0000 | |
| 381 | Y | B | 0.0000 | |
| 382 | K | B | -0.8606 | |
| 383 | F | B | 0.0000 | |
| 384 | A | B | 0.0000 | |
| 385 | I | B | 0.0000 | |
| 386 | S | B | -0.8372 | |
| 387 | Q | B | -1.6502 | |
| 388 | S | B | 0.0000 | |
| 389 | S | B | -1.0450 | |
| 390 | T | B | -0.6149 | |
| 391 | G | B | 0.0000 | |
| 392 | T | B | 0.0000 | |
| 393 | V | B | 0.0000 | |
| 394 | M | B | 0.0000 | |
| 395 | G | B | 0.0000 | |
| 396 | A | B | 0.0000 | |
| 397 | V | B | 0.0000 | |
| 398 | I | B | 0.0000 | |
| 399 | M | B | 0.0000 | |
| 400 | E | B | 0.0000 | |
| 401 | G | B | 0.0000 | |
| 402 | F | B | 0.0000 | |
| 403 | Y | B | 0.0000 | |
| 404 | V | B | 0.0000 | |
| 405 | V | B | 0.0000 | |
| 406 | F | B | 0.0000 | |
| 407 | D | B | 0.0000 | |
| 408 | R | B | 0.0000 | |
| 409 | A | B | -1.3680 | |
| 410 | R | B | -2.4772 | |
| 411 | K | B | -2.5256 | |
| 412 | R | B | -1.7438 | |
| 413 | I | B | 0.0000 | |
| 414 | G | B | 0.0000 | |
| 415 | F | B | 0.0000 | |
| 416 | A | B | 0.0000 | |
| 417 | V | B | 0.1402 | |
| 418 | S | B | 0.0000 | |
| 419 | A | B | 0.0801 | |
| 420 | C | B | 0.2041 | |
| 421 | H | B | -0.0046 | |
| 422 | V | B | 0.0392 | |
| 423 | H | B | -1.0418 | |
| 424 | D | B | -1.1413 | |
| 425 | E | B | -1.3031 | |
| 426 | F | B | 0.4764 | |
| 427 | R | B | -0.3395 | |
| 428 | T | B | -0.3808 | |
| 429 | A | B | 0.0000 | |
| 430 | A | B | -0.2600 | |
| 431 | V | B | -0.3539 | |
| 432 | E | B | -0.9017 | |
| 433 | G | B | -0.4804 | |
| 434 | P | B | 0.0779 | |
| 435 | F | B | 0.8779 | |
| 436 | V | B | 1.9373 | |
| 437 | T | B | 0.9387 | |
| 438 | L | B | 0.3623 | |
| 439 | D | B | -2.3221 | |
| 440 | M | B | 0.0000 | |
| 441 | E | B | -3.1452 | |
| 442 | D | B | -3.3882 | |
| 443 | C | B | 0.0000 | |
| 444 | G | B | 0.0000 | |
| 445 | Y | B | -1.0078 | |
| 446 | N | B | -1.4008 |
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 | -0.338 | 4.5234 | View | CSV | PDB |
| 4.5 | -0.394 | 4.4573 | View | CSV | PDB |
| 5.0 | -0.4596 | 4.3717 | View | CSV | PDB |
| 5.5 | -0.5238 | 4.2797 | View | CSV | PDB |
| 6.0 | -0.5755 | 4.1927 | View | CSV | PDB |
| 6.5 | -0.6074 | 4.1217 | View | CSV | PDB |
| 7.0 | -0.6207 | 4.0713 | View | CSV | PDB |
| 7.5 | -0.6228 | 4.0357 | View | CSV | PDB |
| 8.0 | -0.6184 | 4.0075 | View | CSV | PDB |
| 8.5 | -0.6072 | 3.9836 | View | CSV | PDB |
| 9.0 | -0.5875 | 3.9648 | 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