| Chain sequence(s) | MGLQTAKWPSHGTFVLKFWLIMSLGLYSHVSKLLACPSVCRCDRNFVYCNERSLTSVPLGIPEGVTVLYLHNNQINNAGFPAELHNVQSVHTVYLYGNQLDEFPMNLPKNVRVLHLQENNIQTISRAALAQLLKLEELHLDDNSISTVGVEDGAFREAISLKLLFLSKNHLSSVPVGLPVDLQELRVDENRIAVISDMAFQNLTSLERLIVDGNLLTNKGIADGTFSHLTKLKEFSIVRNSLSHPPPDLPGTHLIRLYLQDNQINHIPLTAFANLRKLERLDISNNQLRMLTQGVFDHLSNLKQLTARNNPWFCDCSIKWVTEWLKYIPSSLNVRGFMCQGPEQVRGMAVRELNMNLLSCPTTTPGLPVFTPAPSTVSPTTQSPTVSVPSPSRGSVPPAPAPSKLPTIPDWDGRERATPPISERIQLSIHFVNDTSIQVSWLSLFTVMAYKLTWVKMGHSLVGGIVQERIVSGEKQHLSLVNLEPRSTYRICLVPLDAFNYRTVEDTICSEATTHASYLNNGSNTASSHEQTTSHTMGSPFLLAGLIGGAVIFVLVVLLSVFCWHMHKKGRYTSQKWKYNRGRRKDDYCEAGTKKDNSILEMTETSFQIVSLNNDQLLKGDFRLQPIYTPNGGINYTDCHIPNNMRYCNSSVPDLEHCHT input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2b9ee15586b239/tmp/folded.pdb (00:20:25)
[INFO] Main: Simulation completed successfully. (00:33:08)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 1.1102 | |
| 2 | G | A | 0.5832 | |
| 3 | L | A | 0.8617 | |
| 4 | Q | A | -0.6329 | |
| 5 | T | A | -0.5832 | |
| 6 | A | A | -0.6610 | |
| 7 | K | A | -1.3298 | |
| 8 | W | A | 0.0760 | |
| 9 | P | A | -0.5498 | |
| 10 | S | A | -0.5997 | |
| 11 | H | A | -0.3690 | |
| 12 | G | A | -0.0586 | |
| 13 | T | A | 0.8882 | |
| 14 | F | A | 2.4761 | |
| 15 | V | A | 2.8736 | |
| 16 | L | A | 2.9017 | |
| 17 | K | A | 1.7869 | |
| 18 | F | A | 3.4919 | |
| 19 | W | A | 3.4343 | |
| 20 | L | A | 3.3529 | |
| 21 | I | A | 3.7634 | |
| 22 | M | A | 3.0514 | |
| 23 | S | A | 2.5799 | |
| 24 | L | A | 3.3226 | |
| 25 | G | A | 2.1695 | |
| 26 | L | A | 2.3746 | |
| 27 | Y | A | 2.4835 | |
| 28 | S | A | 0.8314 | |
| 29 | H | A | 0.4134 | |
| 30 | V | A | 1.8227 | |
| 31 | S | A | 0.6870 | |
| 32 | K | A | -0.4471 | |
| 33 | L | A | 1.3739 | |
| 34 | L | A | 1.6075 | |
| 35 | A | A | 0.7126 | |
| 36 | C | A | 0.3186 | |
| 37 | P | A | 0.0000 | |
| 38 | S | A | 0.1719 | |
| 39 | V | A | 0.6826 | |
| 40 | C | A | -0.4656 | |
| 41 | R | A | -1.5561 | |
| 42 | C | A | -1.4379 | |
| 43 | D | A | -2.7448 | |
| 44 | R | A | -2.6844 | |
| 45 | N | A | -1.6643 | |
| 46 | F | A | -0.6638 | |
| 47 | V | A | 0.0000 | |
| 48 | Y | A | -0.5456 | |
| 49 | C | A | 0.0000 | |
| 50 | N | A | -1.5753 | |
| 51 | E | A | -2.6217 | |
| 52 | R | A | -1.7015 | |
| 53 | S | A | -1.3856 | |
| 54 | L | A | -0.8268 | |
| 55 | T | A | -0.7421 | |
| 56 | S | A | -0.2208 | |
| 57 | V | A | 0.0000 | |
| 58 | P | A | 0.7750 | |
| 59 | L | A | 1.0817 | |
| 60 | G | A | -0.2316 | |
| 61 | I | A | 0.0000 | |
| 62 | P | A | -0.4601 | |
| 63 | E | A | -2.3482 | |
| 64 | G | A | -1.4029 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | -0.7629 | |
| 67 | V | A | 0.3463 | |
| 68 | L | A | 0.0000 | |
| 69 | Y | A | 0.1940 | |
| 70 | L | A | 0.0000 | |
| 71 | H | A | -1.1417 | |
| 72 | N | A | -2.1083 | |
| 73 | N | A | 0.0000 | |
| 74 | Q | A | -1.6788 | |
| 75 | I | A | 0.0000 | |
| 76 | N | A | -1.7727 | |
| 77 | N | A | -1.1497 | |
| 78 | A | A | -0.3345 | |
| 79 | G | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | P | A | -0.3555 | |
| 82 | A | A | -0.9959 | |
| 83 | E | A | -2.1199 | |
| 84 | L | A | 0.0000 | |
| 85 | H | A | -2.1419 | |
| 86 | N | A | -2.9249 | |
| 87 | V | A | 0.0000 | |
| 88 | Q | A | -2.5751 | |
| 89 | S | A | -1.7640 | |
| 90 | V | A | 0.0000 | |
| 91 | H | A | -1.3731 | |
| 92 | T | A | -0.2705 | |
| 93 | V | A | 0.0000 | |
| 94 | Y | A | 0.2830 | |
| 95 | L | A | 0.0000 | |
| 96 | Y | A | -0.9799 | |
| 97 | G | A | -1.8750 | |
| 98 | N | A | 0.0000 | |
| 99 | Q | A | -2.5497 | |
| 100 | L | A | 0.0000 | |
| 101 | D | A | -2.6312 | |
| 102 | E | A | -2.1776 | |
| 103 | F | A | 0.0000 | |
| 104 | P | A | 0.0000 | |
| 105 | M | A | -0.0102 | |
| 106 | N | A | -0.9844 | |
| 107 | L | A | 0.0000 | |
| 108 | P | A | 0.0000 | |
| 109 | K | A | -2.5057 | |
| 110 | N | A | -1.9949 | |
| 111 | V | A | 0.0000 | |
| 112 | R | A | -1.9142 | |
| 113 | V | A | -0.7517 | |
| 114 | L | A | 0.0000 | |
| 115 | H | A | -0.3236 | |
| 116 | L | A | 0.0000 | |
| 117 | Q | A | -1.8123 | |
| 118 | E | A | -3.0818 | |
| 119 | N | A | -2.7629 | |
| 120 | N | A | -2.7497 | |
| 121 | I | A | 0.0000 | |
| 122 | Q | A | -1.4549 | |
| 123 | T | A | -1.0493 | |
| 124 | I | A | 0.0000 | |
| 125 | S | A | -1.7840 | |
| 126 | R | A | -2.7760 | |
| 127 | A | A | -1.0593 | |
| 128 | A | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | A | A | -0.5196 | |
| 131 | Q | A | -0.8632 | |
| 132 | L | A | 0.0000 | |
| 133 | L | A | 0.3328 | |
| 134 | K | A | -1.3380 | |
| 135 | L | A | 0.0000 | |
| 136 | E | A | -1.2176 | |
| 137 | E | A | -1.1155 | |
| 138 | L | A | 0.0000 | |
| 139 | H | A | -0.7025 | |
| 140 | L | A | 0.0000 | |
| 141 | D | A | -1.8830 | |
| 142 | D | A | -3.0191 | |
| 143 | N | A | 0.0000 | |
| 144 | S | A | -1.9070 | |
| 145 | I | A | 0.0000 | |
| 146 | S | A | -0.5253 | |
| 147 | T | A | 0.1479 | |
| 148 | V | A | 0.4072 | |
| 149 | G | A | -0.4513 | |
| 150 | V | A | 0.0000 | |
| 151 | E | A | -2.3455 | |
| 152 | D | A | -2.5349 | |
| 153 | G | A | -1.8812 | |
| 154 | A | A | 0.0000 | |
| 155 | F | A | 0.0000 | |
| 156 | R | A | -1.0155 | |
| 157 | E | A | -0.3682 | |
| 158 | A | A | 0.0000 | |
| 159 | I | A | 1.3170 | |
| 160 | S | A | -0.2048 | |
| 161 | L | A | 0.0000 | |
| 162 | K | A | -1.2686 | |
| 163 | L | A | -0.7645 | |
| 164 | L | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | S | A | 0.0000 | |
| 168 | K | A | -2.7129 | |
| 169 | N | A | 0.0000 | |
| 170 | H | A | -1.9963 | |
| 171 | L | A | 0.0000 | |
| 172 | S | A | -0.4167 | |
| 173 | S | A | 0.3572 | |
| 174 | V | A | 0.0000 | |
| 175 | P | A | 0.0000 | |
| 176 | V | A | 0.0371 | |
| 177 | G | A | -0.6134 | |
| 178 | L | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | V | A | -0.6639 | |
| 181 | D | A | -1.6320 | |
| 182 | L | A | 0.0000 | |
| 183 | Q | A | -1.4111 | |
| 184 | E | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | R | A | -0.6570 | |
| 187 | V | A | 0.0000 | |
| 188 | D | A | 0.0000 | |
| 189 | E | A | -1.8762 | |
| 190 | N | A | 0.0000 | |
| 191 | R | A | -1.9113 | |
| 192 | I | A | 0.0000 | |
| 193 | A | A | 0.5027 | |
| 194 | V | A | 1.0465 | |
| 195 | I | A | 0.0000 | |
| 196 | S | A | -0.4499 | |
| 197 | D | A | -1.7882 | |
| 198 | M | A | -0.1837 | |
| 199 | A | A | 0.0000 | |
| 200 | F | A | 0.0000 | |
| 201 | Q | A | -1.5814 | |
| 202 | N | A | -1.5844 | |
| 203 | L | A | 0.0000 | |
| 204 | T | A | -1.2545 | |
| 205 | S | A | -1.3778 | |
| 206 | L | A | 0.0000 | |
| 207 | E | A | -1.7834 | |
| 208 | R | A | -1.5274 | |
| 209 | L | A | 0.0000 | |
| 210 | I | A | -0.1533 | |
| 211 | V | A | 0.0000 | |
| 212 | D | A | -0.6054 | |
| 213 | G | A | -1.1411 | |
| 214 | N | A | 0.0000 | |
| 215 | L | A | 0.5766 | |
| 216 | L | A | 0.0000 | |
| 217 | T | A | -0.2735 | |
| 218 | N | A | -1.0459 | |
| 219 | K | A | -1.6976 | |
| 220 | G | A | -0.1741 | |
| 221 | I | A | -0.7382 | |
| 222 | A | A | -1.4176 | |
| 223 | D | A | -2.8633 | |
| 224 | G | A | -2.2092 | |
| 225 | T | A | 0.0000 | |
| 226 | F | A | 0.0000 | |
| 227 | S | A | -1.6125 | |
| 228 | H | A | -1.5740 | |
| 229 | L | A | 0.0000 | |
| 230 | T | A | -0.9952 | |
| 231 | K | A | -1.7871 | |
| 232 | L | A | 0.0000 | |
| 233 | K | A | -1.8338 | |
| 234 | E | A | -1.4425 | |
| 235 | F | A | 0.0000 | |
| 236 | S | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | V | A | -0.7920 | |
| 239 | R | A | -1.7902 | |
| 240 | N | A | 0.0000 | |
| 241 | S | A | -0.6375 | |
| 242 | L | A | 0.0000 | |
| 243 | S | A | -1.5342 | |
| 244 | H | A | -1.1746 | |
| 245 | P | A | 0.0000 | |
| 246 | P | A | 0.0000 | |
| 247 | P | A | -1.5692 | |
| 248 | D | A | -2.5615 | |
| 249 | L | A | 0.0000 | |
| 250 | P | A | 0.0000 | |
| 251 | G | A | -1.7818 | |
| 252 | T | A | -1.3380 | |
| 253 | H | A | -1.6789 | |
| 254 | L | A | 0.0000 | |
| 255 | I | A | -1.5520 | |
| 256 | R | A | -1.5100 | |
| 257 | L | A | 0.0000 | |
| 258 | Y | A | -0.4019 | |
| 259 | L | A | 0.0000 | |
| 260 | Q | A | -1.3169 | |
| 261 | D | A | -2.2159 | |
| 262 | N | A | 0.0000 | |
| 263 | Q | A | -2.4235 | |
| 264 | I | A | 0.0000 | |
| 265 | N | A | -2.6181 | |
| 266 | H | A | -1.7020 | |
| 267 | I | A | 0.0000 | |
| 268 | P | A | 0.3948 | |
| 269 | L | A | 0.8853 | |
| 270 | T | A | 0.0059 | |
| 271 | A | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | A | A | -1.4672 | |
| 274 | N | A | -2.6983 | |
| 275 | L | A | 0.0000 | |
| 276 | R | A | -3.5552 | |
| 277 | K | A | -2.8924 | |
| 278 | L | A | 0.0000 | |
| 279 | E | A | -2.3100 | |
| 280 | R | A | -2.2724 | |
| 281 | L | A | 0.0000 | |
| 282 | D | A | -1.0067 | |
| 283 | I | A | 0.0000 | |
| 284 | S | A | 0.0000 | |
| 285 | N | A | -2.4224 | |
| 286 | N | A | 0.0000 | |
| 287 | Q | A | -2.6120 | |
| 288 | L | A | 0.0000 | |
| 289 | R | A | -1.9203 | |
| 290 | M | A | -0.8155 | |
| 291 | L | A | 0.0000 | |
| 292 | T | A | -0.3333 | |
| 293 | Q | A | -1.3377 | |
| 294 | G | A | -1.2076 | |
| 295 | V | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | D | A | -2.6170 | |
| 298 | H | A | -2.8125 | |
| 299 | L | A | 0.0000 | |
| 300 | S | A | -2.3679 | |
| 301 | N | A | -2.4900 | |
| 302 | L | A | 0.0000 | |
| 303 | K | A | -2.4157 | |
| 304 | Q | A | -2.3078 | |
| 305 | L | A | 0.0000 | |
| 306 | T | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | R | A | -2.4755 | |
| 309 | N | A | -2.3219 | |
| 310 | N | A | 0.0000 | |
| 311 | P | A | -1.4737 | |
| 312 | W | A | 0.0000 | |
| 313 | F | A | -0.7121 | |
| 314 | C | A | 0.0000 | |
| 315 | D | A | -0.2832 | |
| 316 | C | A | -0.0865 | |
| 317 | S | A | -0.4609 | |
| 318 | I | A | 0.0000 | |
| 319 | K | A | -1.3692 | |
| 320 | W | A | -0.9662 | |
| 321 | V | A | 0.0000 | |
| 322 | T | A | 0.0000 | |
| 323 | E | A | -1.5820 | |
| 324 | W | A | -0.7263 | |
| 325 | L | A | 0.0000 | |
| 326 | K | A | -1.9076 | |
| 327 | Y | A | 0.4223 | |
| 328 | I | A | 0.0510 | |
| 329 | P | A | -0.4568 | |
| 330 | S | A | -0.5589 | |
| 331 | S | A | -1.0683 | |
| 332 | L | A | -1.7006 | |
| 333 | N | A | -2.1948 | |
| 334 | V | A | -1.7074 | |
| 335 | R | A | -2.3652 | |
| 336 | G | A | -1.8593 | |
| 337 | F | A | 0.0000 | |
| 338 | M | A | -1.2935 | |
| 339 | C | A | 0.0000 | |
| 340 | Q | A | -2.2163 | |
| 341 | G | A | -2.0539 | |
| 342 | P | A | -2.0163 | |
| 343 | E | A | -3.2649 | |
| 344 | Q | A | -2.5192 | |
| 345 | V | A | 0.0000 | |
| 346 | R | A | -3.2069 | |
| 347 | G | A | -1.5729 | |
| 348 | M | A | -1.5714 | |
| 349 | A | A | -1.5456 | |
| 350 | V | A | 0.0000 | |
| 351 | R | A | -3.4056 | |
| 352 | E | A | -3.1944 | |
| 353 | L | A | 0.0000 | |
| 354 | N | A | -1.8033 | |
| 355 | M | A | -0.9574 | |
| 356 | N | A | -0.8433 | |
| 357 | L | A | 0.4057 | |
| 358 | L | A | 0.0000 | |
| 359 | S | A | -0.1054 | |
| 360 | C | A | -0.1791 | |
| 361 | P | A | -0.2475 | |
| 362 | T | A | -0.2706 | |
| 363 | T | A | -0.3460 | |
| 364 | T | A | -0.2309 | |
| 365 | P | A | -0.1700 | |
| 366 | G | A | 0.3228 | |
| 367 | L | A | 1.9535 | |
| 368 | P | A | 1.8229 | |
| 369 | V | A | 2.9621 | |
| 370 | F | A | 2.8590 | |
| 371 | T | A | 1.2351 | |
| 372 | P | A | 0.3859 | |
| 373 | A | A | 0.0035 | |
| 374 | P | A | -0.4233 | |
| 375 | S | A | -0.0061 | |
| 376 | T | A | 0.6336 | |
| 377 | V | A | 1.5308 | |
| 378 | S | A | 0.4681 | |
| 379 | P | A | -0.0355 | |
| 380 | T | A | -0.5343 | |
| 381 | T | A | -0.8015 | |
| 382 | Q | A | -1.4131 | |
| 383 | S | A | -0.9442 | |
| 384 | P | A | -0.2445 | |
| 385 | T | A | 0.4506 | |
| 386 | V | A | 1.9728 | |
| 387 | S | A | 1.4311 | |
| 388 | V | A | 1.8631 | |
| 389 | P | A | 0.4040 | |
| 390 | S | A | -0.0920 | |
| 391 | P | A | -0.8109 | |
| 392 | S | A | -1.4276 | |
| 393 | R | A | -2.0828 | |
| 394 | G | A | -1.1651 | |
| 395 | S | A | -0.0739 | |
| 396 | V | A | 1.1910 | |
| 397 | P | A | 0.4077 | |
| 398 | P | A | 0.0103 | |
| 399 | A | A | -0.0360 | |
| 400 | P | A | -0.3679 | |
| 401 | A | A | -0.4451 | |
| 402 | P | A | -0.6243 | |
| 403 | S | A | -0.8607 | |
| 404 | K | A | -1.1832 | |
| 405 | L | A | 0.7536 | |
| 406 | P | A | 0.4609 | |
| 407 | T | A | 0.6955 | |
| 408 | I | A | 1.7011 | |
| 409 | P | A | -0.0930 | |
| 410 | D | A | -1.3493 | |
| 411 | W | A | -0.6982 | |
| 412 | D | A | -2.3091 | |
| 413 | G | A | -2.8206 | |
| 414 | R | A | -3.6634 | |
| 415 | E | A | -3.7209 | |
| 416 | R | A | -3.2504 | |
| 417 | A | A | -1.6116 | |
| 418 | T | A | -0.8081 | |
| 419 | P | A | -0.8437 | |
| 420 | P | A | -0.6653 | |
| 421 | I | A | -0.8226 | |
| 422 | S | A | -1.4951 | |
| 423 | E | A | -2.2050 | |
| 424 | R | A | -0.9812 | |
| 425 | I | A | 0.0000 | |
| 426 | Q | A | -1.0723 | |
| 427 | L | A | -0.1976 | |
| 428 | S | A | -0.3218 | |
| 429 | I | A | 0.0256 | |
| 430 | H | A | 0.1057 | |
| 431 | F | A | 1.1928 | |
| 432 | V | A | 1.5478 | |
| 433 | N | A | -0.3691 | |
| 434 | D | A | -1.3781 | |
| 435 | T | A | -1.0594 | |
| 436 | S | A | 0.0000 | |
| 437 | I | A | 0.0000 | |
| 438 | Q | A | -0.0783 | |
| 439 | V | A | 0.0000 | |
| 440 | S | A | -0.9429 | |
| 441 | W | A | 0.0000 | |
| 442 | L | A | 0.6224 | |
| 443 | S | A | 0.7583 | |
| 444 | L | A | 1.6642 | |
| 445 | F | A | 1.7431 | |
| 446 | T | A | 0.4724 | |
| 447 | V | A | 0.0000 | |
| 448 | M | A | 0.1830 | |
| 449 | A | A | 0.0000 | |
| 450 | Y | A | 0.0000 | |
| 451 | K | A | -0.3024 | |
| 452 | L | A | 0.0000 | |
| 453 | T | A | -0.7169 | |
| 454 | W | A | 0.0000 | |
| 455 | V | A | -0.1368 | |
| 456 | K | A | -1.2942 | |
| 457 | M | A | -1.0759 | |
| 458 | G | A | -0.7588 | |
| 459 | H | A | -0.7804 | |
| 460 | S | A | 0.3717 | |
| 461 | L | A | 1.6965 | |
| 462 | V | A | 2.2117 | |
| 463 | G | A | 0.9945 | |
| 464 | G | A | 1.1534 | |
| 465 | I | A | 2.2375 | |
| 466 | V | A | 1.4835 | |
| 467 | Q | A | -0.5659 | |
| 468 | E | A | -1.6644 | |
| 469 | R | A | -1.6942 | |
| 470 | I | A | 0.7062 | |
| 471 | V | A | 0.0000 | |
| 472 | S | A | -0.5200 | |
| 473 | G | A | -0.9884 | |
| 474 | E | A | -2.5089 | |
| 475 | K | A | -2.4293 | |
| 476 | Q | A | -1.9755 | |
| 477 | H | A | -1.7511 | |
| 478 | L | A | -0.7891 | |
| 479 | S | A | 0.2941 | |
| 480 | L | A | 0.0000 | |
| 481 | V | A | 0.6436 | |
| 482 | N | A | -1.2296 | |
| 483 | L | A | 0.0000 | |
| 484 | E | A | -2.8073 | |
| 485 | P | A | -2.6246 | |
| 486 | R | A | -2.7586 | |
| 487 | S | A | 0.0000 | |
| 488 | T | A | -1.8077 | |
| 489 | Y | A | 0.0000 | |
| 490 | R | A | -1.8625 | |
| 491 | I | A | 0.0000 | |
| 492 | C | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | V | A | 0.2996 | |
| 495 | P | A | 0.1256 | |
| 496 | L | A | -0.0146 | |
| 497 | D | A | -0.7608 | |
| 498 | A | A | 0.4368 | |
| 499 | F | A | 0.9363 | |
| 500 | N | A | -0.6319 | |
| 501 | Y | A | 0.2037 | |
| 502 | R | A | -1.5522 | |
| 503 | T | A | -0.5608 | |
| 504 | V | A | 0.6510 | |
| 505 | E | A | -1.3317 | |
| 506 | D | A | -0.6512 | |
| 507 | T | A | -0.0585 | |
| 508 | I | A | 0.2853 | |
| 509 | C | A | -0.2003 | |
| 510 | S | A | -0.9811 | |
| 511 | E | A | -2.3061 | |
| 512 | A | A | 0.0000 | |
| 513 | T | A | -1.5240 | |
| 514 | T | A | 0.0000 | |
| 515 | H | A | -1.7322 | |
| 516 | A | A | -1.1342 | |
| 517 | S | A | -0.2819 | |
| 518 | Y | A | 1.2544 | |
| 519 | L | A | 1.1321 | |
| 520 | N | A | -0.9198 | |
| 521 | N | A | -1.5625 | |
| 522 | G | A | -1.6202 | |
| 523 | S | A | -1.5008 | |
| 524 | N | A | -1.4988 | |
| 525 | T | A | -0.7853 | |
| 526 | A | A | -0.3970 | |
| 527 | S | A | -0.5254 | |
| 528 | S | A | -1.1675 | |
| 529 | H | A | -2.3615 | |
| 530 | E | A | -3.0181 | |
| 531 | Q | A | -2.4388 | |
| 532 | T | A | -1.1303 | |
| 533 | T | A | -0.6972 | |
| 534 | S | A | -0.7681 | |
| 535 | H | A | -0.9124 | |
| 536 | T | A | -0.1935 | |
| 537 | M | A | 0.5340 | |
| 538 | G | A | 0.2869 | |
| 539 | S | A | 0.8023 | |
| 540 | P | A | 1.2575 | |
| 541 | F | A | 2.9777 | |
| 542 | L | A | 3.4451 | |
| 543 | L | A | 3.4926 | |
| 544 | A | A | 2.4517 | |
| 545 | G | A | 1.9792 | |
| 546 | L | A | 3.2250 | |
| 547 | I | A | 3.3859 | |
| 548 | G | A | 2.2891 | |
| 549 | G | A | 2.3374 | |
| 550 | A | A | 3.4745 | |
| 551 | V | A | 4.6805 | |
| 552 | I | A | 5.2798 | |
| 553 | F | A | 5.3627 | |
| 554 | V | A | 5.0866 | |
| 555 | L | A | 5.5217 | |
| 556 | V | A | 5.8203 | |
| 557 | V | A | 5.1250 | |
| 558 | L | A | 5.6245 | |
| 559 | L | A | 5.2198 | |
| 560 | S | A | 4.0397 | |
| 561 | V | A | 4.6920 | |
| 562 | F | A | 4.5068 | |
| 563 | C | A | 2.9923 | |
| 564 | W | A | 2.3568 | |
| 565 | H | A | 0.7466 | |
| 566 | M | A | 0.5339 | |
| 567 | H | A | -0.8474 | |
| 568 | K | A | -1.4785 | |
| 569 | K | A | -2.2197 | |
| 570 | G | A | -2.0591 | |
| 571 | R | A | -2.5666 | |
| 572 | Y | A | -1.0167 | |
| 573 | T | A | -1.1935 | |
| 574 | S | A | -1.4642 | |
| 575 | Q | A | -2.0465 | |
| 576 | K | A | -1.9119 | |
| 577 | W | A | -0.6486 | |
| 578 | K | A | -1.6058 | |
| 579 | Y | A | -0.5752 | |
| 580 | N | A | -2.1254 | |
| 581 | R | A | -3.1862 | |
| 582 | G | A | -3.0109 | |
| 583 | R | A | -4.1863 | |
| 584 | R | A | -4.6848 | |
| 585 | K | A | -4.2024 | |
| 586 | D | A | -3.9086 | |
| 587 | D | A | -2.7746 | |
| 588 | Y | A | -0.6009 | |
| 589 | C | A | -0.1170 | |
| 590 | E | A | -1.0278 | |
| 591 | A | A | -0.5133 | |
| 592 | G | A | -1.6731 | |
| 593 | T | A | -2.1399 | |
| 594 | K | A | -3.0703 | |
| 595 | K | A | -3.7013 | |
| 596 | D | A | -3.5348 | |
| 597 | N | A | -2.3067 | |
| 598 | S | A | -0.9778 | |
| 599 | I | A | 0.0279 | |
| 600 | L | A | 0.4747 | |
| 601 | E | A | 0.3510 | |
| 602 | M | A | 0.5505 | |
| 603 | T | A | -0.5419 | |
| 604 | E | A | -1.5204 | |
| 605 | T | A | -0.5743 | |
| 606 | S | A | 0.0086 | |
| 607 | F | A | 1.4779 | |
| 608 | Q | A | 0.3139 | |
| 609 | I | A | 1.2323 | |
| 610 | V | A | 0.9066 | |
| 611 | S | A | 0.0879 | |
| 612 | L | A | 0.1264 | |
| 613 | N | A | -1.6122 | |
| 614 | N | A | -2.2799 | |
| 615 | D | A | -2.6173 | |
| 616 | Q | A | -1.6490 | |
| 617 | L | A | 0.3280 | |
| 618 | L | A | 0.5289 | |
| 619 | K | A | -1.0761 | |
| 620 | G | A | -1.3712 | |
| 621 | D | A | -1.9536 | |
| 622 | F | A | -0.5707 | |
| 623 | R | A | -1.4516 | |
| 624 | L | A | 0.4806 | |
| 625 | Q | A | -0.2445 | |
| 626 | P | A | 0.7676 | |
| 627 | I | A | 2.3747 | |
| 628 | Y | A | 1.7021 | |
| 629 | T | A | 0.1407 | |
| 630 | P | A | -0.5418 | |
| 631 | N | A | -1.3452 | |
| 632 | G | A | -0.8392 | |
| 633 | G | A | -0.3018 | |
| 634 | I | A | 1.1616 | |
| 635 | N | A | -0.0340 | |
| 636 | Y | A | 0.6954 | |
| 637 | T | A | -0.3524 | |
| 638 | D | A | -1.3535 | |
| 639 | C | A | -0.0514 | |
| 640 | H | A | -0.1587 | |
| 641 | I | A | 1.1282 | |
| 642 | P | A | -0.3893 | |
| 643 | N | A | -1.6591 | |
| 644 | N | A | -1.8758 | |
| 645 | M | A | -0.3257 | |
| 646 | R | A | -1.0443 | |
| 647 | Y | A | 0.6826 | |
| 648 | C | A | 0.2906 | |
| 649 | N | A | -0.7460 | |
| 650 | S | A | -0.3256 | |
| 651 | S | A | 0.3446 | |
| 652 | V | A | 0.8988 | |
| 653 | P | A | 0.1739 | |
| 654 | D | A | -1.2813 | |
| 655 | L | A | -0.5302 | |
| 656 | E | A | -1.8729 | |
| 657 | H | A | -1.6587 | |
| 658 | C | A | -0.6930 | |
| 659 | H | A | -1.1034 | |
| 660 | T | A | -0.4839 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.2004 | 8.2455 | View | CSV | PDB |
| 4.5 | -0.2535 | 8.2455 | View | CSV | PDB |
| 5.0 | -0.3157 | 8.2455 | View | CSV | PDB |
| 5.5 | -0.3739 | 8.2455 | View | CSV | PDB |
| 6.0 | -0.4168 | 8.2455 | View | CSV | PDB |
| 6.5 | -0.4388 | 8.2455 | View | CSV | PDB |
| 7.0 | -0.4428 | 8.2455 | View | CSV | PDB |
| 7.5 | -0.4359 | 8.2455 | View | CSV | PDB |
| 8.0 | -0.4229 | 8.2455 | View | CSV | PDB |
| 8.5 | -0.4037 | 8.2455 | View | CSV | PDB |
| 9.0 | -0.3763 | 8.2455 | 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