| Chain sequence(s) |
R: TMGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTRNLTYIDPDALKELPLLKFLGIFNTGLKMFPDLTKVYSTDIFFILEITDNPYMTSIPVNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVYSGPSLLDVSQTSVTALPSKGLEHLKELIARNTWTLKKLPLSLSFLHLTRADLSYPSHCCAFKNQKKIRGILESLMCNESSAFDSHYDYTICGDSEDMVCTPKSDEFNPCEDIMGYKFLRIVVWFVSLLALLGNVFVLLILLTSHYKLNVPRFLMCNLAFADFCMGMYLLLIASVDLYTHSEYYNHAIDWQTGPGCNTAGFFTVFASELSVYTLTVITLERWYAITFAMRLDRKIRLRHACAIMVGGWVCCFLLALLPLVGISSYAKVSICLPMDTETPLALAYIVFVLTLNIVAFVIVCCCYVKIYITVRNDTKIAKRMAVLIFTDFICMAPISFYALSAILNKPLITVSNSKILLVLFYPLNSCANPFLYAIFTKAFQRDVFILLSKFGI
input PDB |
| Selected Chain(s) | R |
| 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 R 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 (00:08:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6850567a2015d5/tmp/folded.pdb (00:08:25)
[INFO] Main: Simulation completed successfully. (00:11:58)
|
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 |
|---|---|---|---|---|
| 21 | T | R | 0.4552 | |
| 22 | M | R | 0.9876 | |
| 23 | G | R | 0.3790 | |
| 24 | C | R | -0.1047 | |
| 25 | S | R | -0.2347 | |
| 26 | S | R | -0.6595 | |
| 27 | P | R | -1.0832 | |
| 28 | P | R | -1.5717 | |
| 29 | C | R | 0.0000 | |
| 30 | E | R | -2.4479 | |
| 31 | C | R | -1.5935 | |
| 32 | H | R | -2.3317 | |
| 33 | Q | R | -3.0102 | |
| 34 | E | R | -3.7895 | |
| 35 | E | R | -3.5406 | |
| 36 | D | R | -2.9950 | |
| 37 | F | R | -2.0211 | |
| 38 | R | R | -2.3759 | |
| 39 | V | R | 0.0000 | |
| 40 | T | R | -1.3198 | |
| 41 | C | R | 0.0000 | |
| 42 | K | R | -3.2857 | |
| 43 | D | R | -3.5608 | |
| 44 | I | R | 0.0000 | |
| 45 | Q | R | -3.3150 | |
| 46 | R | R | -3.1619 | |
| 47 | I | R | 0.0000 | |
| 48 | P | R | -0.9330 | |
| 49 | S | R | -0.6943 | |
| 50 | L | R | 0.0000 | |
| 51 | P | R | 0.0000 | |
| 52 | P | R | -0.5984 | |
| 53 | S | R | -0.4927 | |
| 54 | T | R | 0.0000 | |
| 55 | Q | R | -1.2668 | |
| 56 | T | R | 0.0000 | |
| 57 | L | R | 0.0000 | |
| 58 | K | R | -1.2217 | |
| 59 | L | R | 0.0000 | |
| 60 | I | R | -1.1320 | |
| 61 | E | R | -1.6681 | |
| 62 | T | R | 0.0000 | |
| 63 | H | R | -2.3362 | |
| 64 | L | R | 0.0000 | |
| 65 | R | R | -2.7118 | |
| 66 | T | R | -1.9317 | |
| 67 | I | R | 0.0000 | |
| 68 | P | R | -1.0132 | |
| 69 | S | R | -0.6907 | |
| 70 | H | R | -1.2744 | |
| 71 | A | R | -0.7561 | |
| 72 | F | R | 0.0000 | |
| 73 | S | R | -1.4237 | |
| 74 | N | R | -1.6782 | |
| 75 | L | R | 0.0000 | |
| 76 | P | R | -1.3454 | |
| 77 | N | R | -1.3026 | |
| 78 | I | R | 0.0000 | |
| 79 | S | R | -1.0349 | |
| 80 | R | R | -1.3502 | |
| 81 | I | R | 0.0000 | |
| 82 | Y | R | -0.3995 | |
| 83 | V | R | 0.0000 | |
| 84 | S | R | -0.0311 | |
| 85 | I | R | 0.2928 | |
| 86 | D | R | 0.0000 | |
| 87 | V | R | 0.4977 | |
| 88 | T | R | -0.8056 | |
| 89 | L | R | 0.0000 | |
| 90 | Q | R | -1.5523 | |
| 91 | Q | R | -1.3655 | |
| 92 | L | R | 0.0000 | |
| 93 | E | R | -1.0614 | |
| 94 | S | R | -0.9876 | |
| 95 | H | R | -1.2233 | |
| 96 | S | R | 0.0000 | |
| 97 | F | R | 0.0000 | |
| 98 | Y | R | -1.1112 | |
| 99 | N | R | -1.9709 | |
| 100 | L | R | 0.0000 | |
| 101 | S | R | -1.2906 | |
| 102 | K | R | -1.5417 | |
| 103 | V | R | 0.0000 | |
| 104 | T | R | -0.6556 | |
| 105 | H | R | -0.6699 | |
| 106 | I | R | 0.0000 | |
| 107 | E | R | -0.5679 | |
| 108 | I | R | 0.0000 | |
| 109 | R | R | -1.1653 | |
| 110 | N | R | -1.2082 | |
| 111 | T | R | 0.0000 | |
| 112 | R | R | -1.9534 | |
| 113 | N | R | -1.4468 | |
| 114 | L | R | 0.0000 | |
| 115 | T | R | -0.8182 | |
| 116 | Y | R | -0.2720 | |
| 117 | I | R | 0.0000 | |
| 118 | D | R | -0.9097 | |
| 119 | P | R | -1.0736 | |
| 120 | D | R | -1.4335 | |
| 121 | A | R | 0.0000 | |
| 122 | L | R | 0.0000 | |
| 123 | K | R | -1.4771 | |
| 124 | E | R | -1.6595 | |
| 125 | L | R | 0.0000 | |
| 126 | P | R | -0.4358 | |
| 127 | L | R | 0.3060 | |
| 128 | L | R | 0.0000 | |
| 129 | K | R | 0.1180 | |
| 130 | F | R | 0.0978 | |
| 131 | L | R | 0.0000 | |
| 132 | G | R | 0.0000 | |
| 133 | I | R | 0.0000 | |
| 134 | F | R | 0.0000 | |
| 135 | N | R | -1.7720 | |
| 136 | T | R | 0.0000 | |
| 137 | G | R | 0.0000 | |
| 138 | L | R | 0.0000 | |
| 139 | K | R | -1.1063 | |
| 140 | M | R | -0.2875 | |
| 141 | F | R | 0.0000 | |
| 142 | P | R | 0.0000 | |
| 143 | D | R | -1.1288 | |
| 144 | L | R | 0.0000 | |
| 145 | T | R | -0.8789 | |
| 146 | K | R | -1.1814 | |
| 147 | V | R | 0.0000 | |
| 148 | Y | R | -0.1761 | |
| 149 | S | R | 0.0000 | |
| 150 | T | R | 0.1136 | |
| 151 | D | R | 0.6025 | |
| 152 | I | R | 1.4073 | |
| 153 | F | R | 2.0980 | |
| 154 | F | R | 0.0000 | |
| 155 | I | R | 0.7100 | |
| 156 | L | R | 0.0000 | |
| 157 | E | R | -0.3299 | |
| 158 | I | R | 0.0000 | |
| 159 | T | R | -0.9659 | |
| 160 | D | R | -1.5066 | |
| 161 | N | R | 0.0000 | |
| 162 | P | R | -0.5320 | |
| 163 | Y | R | 0.1240 | |
| 164 | M | R | 0.0000 | |
| 165 | T | R | -0.0076 | |
| 166 | S | R | -0.1717 | |
| 167 | I | R | 0.0000 | |
| 168 | P | R | 0.0820 | |
| 169 | V | R | 0.5579 | |
| 170 | N | R | -0.4803 | |
| 171 | A | R | 0.0000 | |
| 172 | F | R | 0.0000 | |
| 173 | Q | R | -1.1304 | |
| 174 | G | R | -0.8166 | |
| 175 | L | R | 0.0000 | |
| 176 | C | R | 0.0000 | |
| 177 | N | R | -1.5822 | |
| 178 | E | R | -0.7672 | |
| 179 | T | R | -0.3722 | |
| 180 | L | R | 0.0000 | |
| 181 | T | R | 0.1710 | |
| 182 | L | R | 0.0000 | |
| 183 | K | R | -0.3451 | |
| 184 | L | R | 0.0000 | |
| 185 | Y | R | -0.6297 | |
| 186 | N | R | -1.3491 | |
| 187 | N | R | 0.0000 | |
| 188 | G | R | -0.3969 | |
| 189 | F | R | 0.0000 | |
| 190 | T | R | 0.3387 | |
| 191 | S | R | 0.2926 | |
| 192 | V | R | 0.0000 | |
| 193 | Q | R | -0.7584 | |
| 194 | G | R | -0.8097 | |
| 195 | Y | R | -0.0374 | |
| 196 | A | R | 0.0000 | |
| 197 | F | R | 0.0000 | |
| 198 | N | R | -0.2078 | |
| 199 | G | R | 0.0000 | |
| 200 | T | R | 0.0000 | |
| 201 | K | R | -0.9678 | |
| 202 | L | R | 0.0000 | |
| 203 | D | R | -1.1339 | |
| 204 | A | R | -0.5020 | |
| 205 | V | R | 0.0000 | |
| 206 | Y | R | 0.1498 | |
| 207 | L | R | 0.0000 | |
| 208 | N | R | -0.9432 | |
| 209 | K | R | -1.6257 | |
| 210 | N | R | 0.0000 | |
| 211 | K | R | -1.4939 | |
| 212 | Y | R | 0.4377 | |
| 213 | L | R | 0.0000 | |
| 214 | T | R | 0.6721 | |
| 215 | V | R | 1.1584 | |
| 216 | I | R | 0.0000 | |
| 217 | D | R | -1.6373 | |
| 218 | K | R | -2.2144 | |
| 219 | D | R | -1.9588 | |
| 220 | A | R | 0.0000 | |
| 221 | F | R | 0.0000 | |
| 222 | G | R | -0.6527 | |
| 223 | G | R | -0.1743 | |
| 224 | V | R | 0.5616 | |
| 225 | Y | R | 1.0809 | |
| 226 | S | R | -0.1463 | |
| 227 | G | R | -0.8616 | |
| 228 | P | R | 0.0000 | |
| 229 | S | R | -1.1618 | |
| 230 | L | R | -0.5834 | |
| 231 | L | R | 0.0000 | |
| 232 | D | R | 0.0000 | |
| 233 | V | R | 0.0000 | |
| 234 | S | R | -1.0645 | |
| 235 | Q | R | -1.6521 | |
| 236 | T | R | 0.0000 | |
| 237 | S | R | -0.0989 | |
| 238 | V | R | 0.0000 | |
| 239 | T | R | 0.0854 | |
| 240 | A | R | -0.3435 | |
| 241 | L | R | 0.0000 | |
| 242 | P | R | 0.0000 | |
| 243 | S | R | -1.2897 | |
| 244 | K | R | -2.2144 | |
| 245 | G | R | -1.5429 | |
| 246 | L | R | 0.0000 | |
| 247 | E | R | -2.2549 | |
| 248 | H | R | -1.8357 | |
| 249 | L | R | 0.0000 | |
| 250 | K | R | -1.4164 | |
| 251 | E | R | -1.2417 | |
| 252 | L | R | 0.0000 | |
| 253 | I | R | -0.2771 | |
| 254 | A | R | 0.0000 | |
| 255 | R | R | -1.2203 | |
| 256 | N | R | -1.4829 | |
| 257 | T | R | 0.0000 | |
| 258 | W | R | 0.3580 | |
| 259 | T | R | -0.1713 | |
| 260 | L | R | 0.0000 | |
| 261 | K | R | -1.3666 | |
| 262 | K | R | -1.1875 | |
| 263 | L | R | -0.1388 | |
| 264 | P | R | 0.5398 | |
| 265 | L | R | 1.2179 | |
| 266 | S | R | 0.2400 | |
| 267 | L | R | 0.1371 | |
| 268 | S | R | 0.1997 | |
| 269 | F | R | 0.0000 | |
| 270 | L | R | 0.4036 | |
| 271 | H | R | -0.9773 | |
| 272 | L | R | 0.0000 | |
| 273 | T | R | -1.5637 | |
| 274 | R | R | -1.3531 | |
| 275 | A | R | 0.0000 | |
| 276 | D | R | 0.0000 | |
| 277 | L | R | 0.0000 | |
| 278 | S | R | 0.0000 | |
| 279 | Y | R | -0.4854 | |
| 280 | P | R | -0.7898 | |
| 281 | S | R | -0.4552 | |
| 282 | H | R | 0.0000 | |
| 283 | C | R | 0.0000 | |
| 284 | C | R | -0.6804 | |
| 285 | A | R | -0.4094 | |
| 286 | F | R | 0.0000 | |
| 287 | K | R | -2.1868 | |
| 288 | N | R | -3.1818 | |
| 289 | Q | R | -3.1725 | |
| 290 | K | R | -3.5330 | |
| 291 | K | R | -2.9391 | |
| 292 | I | R | -1.0161 | |
| 293 | R | R | -0.4760 | |
| 294 | G | R | 0.8453 | |
| 295 | I | R | 2.6874 | |
| 296 | L | R | 2.3991 | |
| 297 | E | R | 0.6302 | |
| 298 | S | R | 0.7429 | |
| 299 | L | R | 1.4200 | |
| 300 | M | R | 0.3045 | |
| 301 | C | R | -0.7700 | |
| 302 | N | R | -1.5931 | |
| 303 | E | R | -2.1609 | |
| 304 | S | R | -1.4013 | |
| 305 | S | R | -1.2397 | |
| 380 | A | R | 0.2466 | |
| 381 | F | R | 1.0796 | |
| 382 | D | R | -0.7388 | |
| 383 | S | R | -0.2623 | |
| 384 | H | R | -0.0329 | |
| 385 | Y | R | 0.8015 | |
| 386 | D | R | -0.0606 | |
| 387 | Y | R | 0.5449 | |
| 388 | T | R | 0.2399 | |
| 389 | I | R | 0.5386 | |
| 390 | C | R | -0.4851 | |
| 391 | G | R | -0.8669 | |
| 392 | D | R | -2.4205 | |
| 393 | S | R | -2.7159 | |
| 394 | E | R | -3.8805 | |
| 395 | D | R | -4.1305 | |
| 396 | M | R | 0.0000 | |
| 397 | V | R | -1.4723 | |
| 398 | C | R | 0.0000 | |
| 399 | T | R | -0.7490 | |
| 400 | P | R | -1.1218 | |
| 401 | K | R | -2.2970 | |
| 402 | S | R | -2.0316 | |
| 403 | D | R | -2.6589 | |
| 404 | E | R | -2.4490 | |
| 405 | F | R | -0.8460 | |
| 406 | N | R | -1.3187 | |
| 407 | P | R | -0.7554 | |
| 408 | C | R | -0.1216 | |
| 409 | E | R | -0.5350 | |
| 410 | D | R | -0.5780 | |
| 411 | I | R | 0.0000 | |
| 412 | M | R | 0.0000 | |
| 413 | G | R | -0.4588 | |
| 414 | Y | R | 0.4016 | |
| 415 | K | R | -0.1976 | |
| 416 | F | R | 1.6971 | |
| 417 | L | R | 0.0000 | |
| 418 | R | R | 1.1546 | |
| 419 | I | R | 2.8164 | |
| 420 | V | R | 2.3819 | |
| 421 | V | R | 0.0000 | |
| 422 | W | R | 2.2437 | |
| 423 | F | R | 3.0822 | |
| 424 | V | R | 0.0000 | |
| 425 | S | R | 0.0000 | |
| 426 | L | R | 2.4152 | |
| 427 | L | R | 1.9794 | |
| 428 | A | R | 0.0000 | |
| 429 | L | R | 2.1125 | |
| 430 | L | R | 2.4015 | |
| 431 | G | R | 1.6837 | |
| 432 | N | R | 0.0000 | |
| 433 | V | R | 2.0636 | |
| 434 | F | R | 1.8386 | |
| 435 | V | R | 0.0000 | |
| 436 | L | R | 0.0000 | |
| 437 | L | R | 1.9921 | |
| 438 | I | R | 0.0000 | |
| 439 | L | R | 0.0000 | |
| 440 | L | R | 1.7102 | |
| 441 | T | R | 0.8593 | |
| 442 | S | R | 0.1076 | |
| 443 | H | R | -0.7763 | |
| 444 | Y | R | -0.6903 | |
| 445 | K | R | -1.4840 | |
| 446 | L | R | -0.3310 | |
| 447 | N | R | -1.2683 | |
| 448 | V | R | 0.0000 | |
| 449 | P | R | -0.3766 | |
| 450 | R | R | -0.2548 | |
| 451 | F | R | 0.1796 | |
| 452 | L | R | 0.0000 | |
| 453 | M | R | 0.3060 | |
| 454 | C | R | 0.0000 | |
| 455 | N | R | 0.0000 | |
| 456 | L | R | 0.0000 | |
| 457 | A | R | 0.0000 | |
| 458 | F | R | 1.6381 | |
| 459 | A | R | 0.0000 | |
| 460 | D | R | 0.0000 | |
| 461 | F | R | 1.4953 | |
| 462 | C | R | 1.1631 | |
| 463 | M | R | 0.0000 | |
| 464 | G | R | 0.0000 | |
| 465 | M | R | 1.1412 | |
| 466 | Y | R | 0.0000 | |
| 467 | L | R | 0.0000 | |
| 468 | L | R | 1.1748 | |
| 469 | L | R | 0.7988 | |
| 470 | I | R | 0.0000 | |
| 471 | A | R | 0.0000 | |
| 472 | S | R | 0.8283 | |
| 473 | V | R | 0.9594 | |
| 474 | D | R | 0.0000 | |
| 475 | L | R | 1.0377 | |
| 476 | Y | R | 1.3651 | |
| 477 | T | R | 0.0000 | |
| 478 | H | R | -0.5664 | |
| 479 | S | R | -0.7987 | |
| 480 | E | R | -0.9014 | |
| 481 | Y | R | 0.0000 | |
| 482 | Y | R | -0.4372 | |
| 483 | N | R | -0.8077 | |
| 484 | H | R | -0.9468 | |
| 485 | A | R | 0.0000 | |
| 486 | I | R | -0.7087 | |
| 487 | D | R | -1.8348 | |
| 488 | W | R | -0.8117 | |
| 489 | Q | R | 0.0000 | |
| 490 | T | R | -0.7235 | |
| 491 | G | R | -0.8282 | |
| 492 | P | R | -0.7282 | |
| 493 | G | R | -0.5494 | |
| 494 | C | R | 0.0000 | |
| 495 | N | R | -0.0555 | |
| 496 | T | R | 0.0959 | |
| 497 | A | R | 0.0000 | |
| 498 | G | R | 0.0000 | |
| 499 | F | R | 1.2465 | |
| 500 | F | R | 1.3182 | |
| 501 | T | R | 0.0000 | |
| 502 | V | R | 0.0000 | |
| 503 | F | R | 1.2678 | |
| 504 | A | R | 0.0000 | |
| 505 | S | R | 0.3364 | |
| 506 | E | R | 0.0000 | |
| 507 | L | R | 0.0000 | |
| 508 | S | R | 0.6074 | |
| 509 | V | R | 0.7732 | |
| 510 | Y | R | 0.8814 | |
| 511 | T | R | 0.0000 | |
| 512 | L | R | 0.0000 | |
| 513 | T | R | 0.9252 | |
| 514 | V | R | 0.6746 | |
| 515 | I | R | 0.0000 | |
| 516 | T | R | 0.0000 | |
| 517 | L | R | 0.6287 | |
| 518 | E | R | 0.0000 | |
| 519 | R | R | -0.2289 | |
| 520 | W | R | 0.4966 | |
| 521 | Y | R | 0.2836 | |
| 522 | A | R | 0.2011 | |
| 523 | I | R | 0.9208 | |
| 524 | T | R | 0.5571 | |
| 525 | F | R | 0.3240 | |
| 526 | A | R | 0.3814 | |
| 527 | M | R | 0.3975 | |
| 528 | R | R | -1.5326 | |
| 529 | L | R | -0.7034 | |
| 530 | D | R | -2.8263 | |
| 531 | R | R | -3.2709 | |
| 532 | K | R | -2.8914 | |
| 533 | I | R | -2.2106 | |
| 534 | R | R | -3.2246 | |
| 535 | L | R | -1.4732 | |
| 536 | R | R | -2.1860 | |
| 537 | H | R | -1.4434 | |
| 538 | A | R | 0.0000 | |
| 539 | C | R | 0.1756 | |
| 540 | A | R | 0.6546 | |
| 541 | I | R | 1.5023 | |
| 542 | M | R | 0.0000 | |
| 543 | V | R | 2.6474 | |
| 544 | G | R | 1.8815 | |
| 545 | G | R | 0.0000 | |
| 546 | W | R | 2.6022 | |
| 547 | V | R | 3.2672 | |
| 548 | C | R | 2.4478 | |
| 549 | C | R | 0.0000 | |
| 550 | F | R | 2.8995 | |
| 551 | L | R | 3.0321 | |
| 552 | L | R | 0.0000 | |
| 553 | A | R | 0.0000 | |
| 554 | L | R | 2.8657 | |
| 555 | L | R | 2.2987 | |
| 556 | P | R | 0.0000 | |
| 557 | L | R | 2.0617 | |
| 558 | V | R | 2.4348 | |
| 559 | G | R | 1.2397 | |
| 560 | I | R | 1.5240 | |
| 561 | S | R | 0.0000 | |
| 562 | S | R | 0.2425 | |
| 563 | Y | R | 0.0000 | |
| 564 | A | R | -0.2567 | |
| 565 | K | R | -0.2320 | |
| 566 | V | R | 0.0000 | |
| 567 | S | R | 0.0000 | |
| 568 | I | R | 0.0000 | |
| 569 | C | R | 0.0000 | |
| 570 | L | R | 0.1767 | |
| 571 | P | R | 0.1362 | |
| 572 | M | R | 0.0888 | |
| 573 | D | R | -0.4973 | |
| 574 | T | R | -0.3723 | |
| 575 | E | R | -1.5959 | |
| 576 | T | R | -0.4141 | |
| 577 | P | R | 0.2421 | |
| 578 | L | R | 1.3902 | |
| 579 | A | R | 0.0000 | |
| 580 | L | R | 1.0686 | |
| 581 | A | R | 1.4949 | |
| 582 | Y | R | 0.0000 | |
| 583 | I | R | 1.6542 | |
| 584 | V | R | 1.7877 | |
| 585 | F | R | 2.1312 | |
| 586 | V | R | 1.6150 | |
| 587 | L | R | 1.7521 | |
| 588 | T | R | 1.6165 | |
| 589 | L | R | 1.8525 | |
| 590 | N | R | 1.5335 | |
| 591 | I | R | 2.4153 | |
| 592 | V | R | 2.4308 | |
| 593 | A | R | 0.0000 | |
| 594 | F | R | 2.2451 | |
| 595 | V | R | 2.5183 | |
| 596 | I | R | 2.1403 | |
| 597 | V | R | 0.0000 | |
| 598 | C | R | 1.6652 | |
| 599 | C | R | 1.3636 | |
| 600 | C | R | 0.0000 | |
| 601 | Y | R | 0.0000 | |
| 602 | V | R | 1.8583 | |
| 603 | K | R | 0.5951 | |
| 604 | I | R | 0.0000 | |
| 605 | Y | R | 1.0393 | |
| 606 | I | R | 1.6115 | |
| 607 | T | R | 0.8052 | |
| 608 | V | R | 0.2959 | |
| 609 | R | R | -1.6059 | |
| 610 | N | R | -1.8527 | |
| 619 | D | R | -2.7973 | |
| 620 | T | R | -2.1541 | |
| 621 | K | R | -2.8836 | |
| 622 | I | R | -1.7111 | |
| 623 | A | R | -1.3945 | |
| 624 | K | R | -2.5593 | |
| 625 | R | R | -1.7062 | |
| 626 | M | R | -0.1431 | |
| 627 | A | R | 0.0482 | |
| 628 | V | R | 0.7466 | |
| 629 | L | R | 0.0000 | |
| 630 | I | R | 1.6853 | |
| 631 | F | R | 2.9398 | |
| 632 | T | R | 0.0000 | |
| 633 | D | R | 1.6394 | |
| 634 | F | R | 2.6722 | |
| 635 | I | R | 2.0219 | |
| 636 | C | R | 0.0000 | |
| 637 | M | R | 1.6872 | |
| 638 | A | R | 1.6085 | |
| 639 | P | R | 1.5647 | |
| 640 | I | R | 1.5802 | |
| 641 | S | R | 1.6473 | |
| 642 | F | R | 2.5478 | |
| 643 | Y | R | 2.0547 | |
| 644 | A | R | 1.6894 | |
| 645 | L | R | 1.6654 | |
| 646 | S | R | 1.1990 | |
| 647 | A | R | 0.5921 | |
| 648 | I | R | 0.9874 | |
| 649 | L | R | 0.7426 | |
| 650 | N | R | -1.0582 | |
| 651 | K | R | -1.2953 | |
| 652 | P | R | 0.0074 | |
| 653 | L | R | 1.1698 | |
| 654 | I | R | 0.8545 | |
| 655 | T | R | 0.0755 | |
| 656 | V | R | -0.0698 | |
| 657 | S | R | -0.3955 | |
| 658 | N | R | -0.4424 | |
| 659 | S | R | 0.2103 | |
| 660 | K | R | 0.0000 | |
| 661 | I | R | 0.6724 | |
| 662 | L | R | 0.9120 | |
| 663 | L | R | 0.0000 | |
| 664 | V | R | 0.0000 | |
| 665 | L | R | 1.3265 | |
| 666 | F | R | 1.5465 | |
| 667 | Y | R | 1.0843 | |
| 668 | P | R | 0.0000 | |
| 669 | L | R | 0.7992 | |
| 670 | N | R | 0.4419 | |
| 671 | S | R | 0.0000 | |
| 672 | C | R | 0.7566 | |
| 673 | A | R | 0.4095 | |
| 674 | N | R | 0.0000 | |
| 675 | P | R | 0.0000 | |
| 676 | F | R | 1.4935 | |
| 677 | L | R | 1.1295 | |
| 678 | Y | R | 0.9000 | |
| 679 | A | R | 0.0000 | |
| 680 | I | R | 1.3243 | |
| 681 | F | R | 1.5848 | |
| 682 | T | R | -0.0221 | |
| 683 | K | R | -1.6465 | |
| 684 | A | R | -0.7965 | |
| 685 | F | R | 0.0000 | |
| 686 | Q | R | -0.3746 | |
| 687 | R | R | -0.7315 | |
| 688 | D | R | 0.0000 | |
| 689 | V | R | 0.8767 | |
| 690 | F | R | 2.4174 | |
| 691 | I | R | 1.4227 | |
| 692 | L | R | 1.3802 | |
| 693 | L | R | 2.2715 | |
| 694 | S | R | 1.2600 | |
| 695 | K | R | 0.1911 | |
| 696 | F | R | 2.0761 | |
| 697 | G | R | 1.1292 | |
| 698 | I | R | 2.5120 |
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 | 0.0837 | 6.1577 | View | CSV | PDB |
| 4.5 | 0.0457 | 6.1459 | View | CSV | PDB |
| 5.0 | 0.0022 | 6.132 | View | CSV | PDB |
| 5.5 | -0.0364 | 6.1174 | View | CSV | PDB |
| 6.0 | -0.0587 | 6.1025 | View | CSV | PDB |
| 6.5 | -0.0596 | 6.0876 | View | CSV | PDB |
| 7.0 | -0.0433 | 6.0726 | View | CSV | PDB |
| 7.5 | -0.0169 | 6.0579 | View | CSV | PDB |
| 8.0 | 0.0152 | 6.0437 | View | CSV | PDB |
| 8.5 | 0.0526 | 6.0309 | View | CSV | PDB |
| 9.0 | 0.095 | 6.0212 | 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