| Chain sequence(s) |
A: TWLSDFPQAWAETGGMGLAVRQAPLIIPLKATATPVSIKQYPMSQEARQGIKPHIQRLLDQGILVPCQSPWNTPLLPVKKPGTNDYRPVQDLREVNKRVEDIHPTVPNPYNLLSSLPPSHQWYTVLDLKDAFFCLRLHPKSQPLFAFEWRDPEMGISGQLTWTRLPQGFKNSPTLFDEALRRDLADFRIQHPDLILLQYVDDLLLAATTEEDCQQGTRALLQTLGELGYRASWKKAQICQKQVKYLGYLLKEGQRWLTEARKETIMKQPTPKTPRQLREFLGKAGFCRLWIPGFAEMAAPLYPLTKTGTLFNWGPDQQKAFQEIKQALLTAPALLLPDLTKPFELFVDEKQGYAKGVLTQKLGPWRRPVAYLSKKLDPVAAGWPPCLRMVAAIAVLVKDADKLTMGQPLVILAPHAVEALIKQPPDRWLSNARMTHYQALLLDTDRVQFGPVVALNPATLLPLPEEGLQHNCLDILAEAHGTRPDLTDQPLPDADHTWYTGGSSLLQEGQRKAGAAVTTETEVIWAKALPAGTSAQRAQLIALTQALKMAEGKKLNVYTNSRYAFATAHIHGEIYRRRGLLTSEGKEIKNKEEILALLKALFLPKRLSIIHCPGHQKGDSAEARGNRMARQAARKAAITE
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 globular. Max 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 (00:18:30)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/bc7b7cb60c4424d/tmp/folded.pdb (00:18:30)
[INFO] Main: Simulation completed successfully. (00:23:55)
|
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 |
|---|---|---|---|---|
| 39 | T | A | -0.2010 | |
| 40 | W | A | -0.1283 | |
| 41 | L | A | -0.1264 | |
| 42 | S | A | -0.5797 | |
| 43 | D | A | -1.2062 | |
| 44 | F | A | 0.0000 | |
| 45 | P | A | -0.9576 | |
| 46 | Q | A | -1.4250 | |
| 47 | A | A | 0.0000 | |
| 48 | W | A | 0.0000 | |
| 49 | A | A | -1.2134 | |
| 50 | E | A | -1.3167 | |
| 51 | T | A | -0.7354 | |
| 52 | G | A | -0.8141 | |
| 53 | G | A | -0.6530 | |
| 54 | M | A | -0.5266 | |
| 55 | G | A | 0.0000 | |
| 56 | L | A | 0.8209 | |
| 57 | A | A | 0.0000 | |
| 58 | V | A | 1.0141 | |
| 59 | R | A | -0.5950 | |
| 60 | Q | A | 0.0000 | |
| 61 | A | A | 0.1527 | |
| 62 | P | A | -0.2483 | |
| 63 | L | A | 0.6147 | |
| 64 | I | A | 1.5124 | |
| 65 | I | A | 0.0000 | |
| 66 | P | A | -0.0431 | |
| 67 | L | A | -0.5332 | |
| 68 | K | A | -1.4738 | |
| 69 | A | A | -0.4348 | |
| 70 | T | A | -0.2950 | |
| 71 | A | A | -0.6535 | |
| 72 | T | A | -0.2500 | |
| 73 | P | A | -0.3005 | |
| 74 | V | A | -0.0747 | |
| 75 | S | A | -0.5469 | |
| 76 | I | A | -0.5706 | |
| 77 | K | A | -1.5283 | |
| 78 | Q | A | -0.6528 | |
| 79 | Y | A | 0.4688 | |
| 80 | P | A | -0.2512 | |
| 81 | M | A | 0.0000 | |
| 82 | S | A | -1.4110 | |
| 83 | Q | A | -2.7911 | |
| 84 | E | A | -3.0995 | |
| 85 | A | A | 0.0000 | |
| 86 | R | A | 0.0000 | |
| 87 | Q | A | -2.5078 | |
| 88 | G | A | -2.5702 | |
| 89 | I | A | 0.0000 | |
| 90 | K | A | -1.8334 | |
| 91 | P | A | -1.7724 | |
| 92 | H | A | -1.9231 | |
| 93 | I | A | 0.0000 | |
| 94 | Q | A | -2.4303 | |
| 95 | R | A | -3.1785 | |
| 96 | L | A | -1.7560 | |
| 97 | L | A | -1.4157 | |
| 98 | D | A | -2.7760 | |
| 99 | Q | A | -2.1539 | |
| 100 | G | A | -1.2453 | |
| 101 | I | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | V | A | 0.2998 | |
| 104 | P | A | -0.1497 | |
| 105 | C | A | -0.5833 | |
| 106 | Q | A | -1.3738 | |
| 107 | S | A | -0.8693 | |
| 108 | P | A | -0.5408 | |
| 109 | W | A | 0.0000 | |
| 110 | N | A | 0.0000 | |
| 111 | T | A | 0.0000 | |
| 112 | P | A | -0.0424 | |
| 113 | L | A | 0.0000 | |
| 114 | L | A | 1.4268 | |
| 115 | P | A | 0.3108 | |
| 116 | V | A | -0.7001 | |
| 117 | K | A | -3.0648 | |
| 118 | K | A | -3.1665 | |
| 119 | P | A | -1.9119 | |
| 120 | G | A | -1.6229 | |
| 121 | T | A | -2.0239 | |
| 122 | N | A | -2.9988 | |
| 123 | D | A | -2.9124 | |
| 124 | Y | A | -2.4768 | |
| 125 | R | A | -2.1872 | |
| 126 | P | A | -0.1759 | |
| 127 | V | A | 0.8919 | |
| 128 | Q | A | 0.0000 | |
| 129 | D | A | -0.8636 | |
| 130 | L | A | 0.0000 | |
| 131 | R | A | -2.9592 | |
| 132 | E | A | -2.1683 | |
| 133 | V | A | 0.0000 | |
| 134 | N | A | -2.5849 | |
| 135 | K | A | -3.1509 | |
| 136 | R | A | -2.2540 | |
| 137 | V | A | 0.0000 | |
| 138 | E | A | -2.2330 | |
| 139 | D | A | -2.6785 | |
| 140 | I | A | -1.1130 | |
| 141 | H | A | -1.2152 | |
| 142 | P | A | -0.8678 | |
| 143 | T | A | -0.4982 | |
| 144 | V | A | -0.1728 | |
| 145 | P | A | -0.2795 | |
| 146 | N | A | -0.3269 | |
| 147 | P | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | N | A | -0.7702 | |
| 150 | L | A | -0.1964 | |
| 151 | L | A | 0.0000 | |
| 152 | S | A | -0.5014 | |
| 153 | S | A | -0.2155 | |
| 154 | L | A | 0.0000 | |
| 155 | P | A | -0.2349 | |
| 156 | P | A | -0.8018 | |
| 157 | S | A | -0.6932 | |
| 158 | H | A | -0.8905 | |
| 159 | Q | A | -1.8620 | |
| 160 | W | A | -1.8771 | |
| 161 | Y | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | D | A | -1.4601 | |
| 166 | L | A | 0.0000 | |
| 167 | K | A | -2.0079 | |
| 168 | D | A | -2.2823 | |
| 169 | A | A | 0.0000 | |
| 170 | F | A | -0.6792 | |
| 171 | F | A | 0.0000 | |
| 172 | C | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | R | A | -0.2548 | |
| 175 | L | A | 0.0000 | |
| 176 | H | A | -0.4978 | |
| 177 | P | A | -1.0401 | |
| 178 | K | A | -1.4983 | |
| 179 | S | A | 0.0000 | |
| 180 | Q | A | -0.5531 | |
| 181 | P | A | -0.8288 | |
| 182 | L | A | 0.0000 | |
| 183 | F | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | E | A | -1.2896 | |
| 187 | W | A | 0.0000 | |
| 188 | R | A | -1.1229 | |
| 189 | D | A | -0.9837 | |
| 190 | P | A | -1.0823 | |
| 191 | E | A | -1.5896 | |
| 192 | M | A | 0.1711 | |
| 193 | G | A | -0.0268 | |
| 194 | I | A | 0.8593 | |
| 195 | S | A | -0.1566 | |
| 196 | G | A | -0.6479 | |
| 197 | Q | A | -0.7271 | |
| 198 | L | A | -0.1889 | |
| 199 | T | A | 0.0000 | |
| 200 | W | A | 0.0522 | |
| 201 | T | A | -0.3218 | |
| 202 | R | A | -0.5552 | |
| 203 | L | A | 0.0000 | |
| 204 | P | A | 0.0000 | |
| 205 | Q | A | -1.4203 | |
| 206 | G | A | -1.3005 | |
| 207 | F | A | 0.0000 | |
| 208 | K | A | -1.4068 | |
| 209 | N | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | P | A | -0.3480 | |
| 212 | T | A | -0.2975 | |
| 213 | L | A | -0.0733 | |
| 214 | F | A | 0.0000 | |
| 215 | D | A | 0.0000 | |
| 216 | E | A | -1.8061 | |
| 217 | A | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | R | A | -2.3202 | |
| 220 | R | A | -2.9114 | |
| 221 | D | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | A | A | -1.5171 | |
| 224 | D | A | -2.0144 | |
| 225 | F | A | 0.0000 | |
| 226 | R | A | -1.0009 | |
| 227 | I | A | 0.4418 | |
| 228 | Q | A | -1.1946 | |
| 229 | H | A | -1.0450 | |
| 230 | P | A | -0.9942 | |
| 231 | D | A | -2.0532 | |
| 232 | L | A | -0.7708 | |
| 233 | I | A | 0.0203 | |
| 234 | L | A | 0.0849 | |
| 235 | L | A | 0.0000 | |
| 236 | Q | A | 0.0000 | |
| 237 | Y | A | 0.0180 | |
| 238 | V | A | -0.1753 | |
| 239 | D | A | -0.7728 | |
| 240 | D | A | -0.4743 | |
| 241 | L | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | A | A | 0.0000 | |
| 245 | A | A | 0.0000 | |
| 246 | T | A | -1.2175 | |
| 247 | T | A | -1.7538 | |
| 248 | E | A | -3.0644 | |
| 249 | E | A | -3.4317 | |
| 250 | D | A | -2.9268 | |
| 251 | C | A | 0.0000 | |
| 252 | Q | A | -2.7843 | |
| 253 | Q | A | -2.7991 | |
| 254 | G | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | R | A | -1.7342 | |
| 257 | A | A | -1.1302 | |
| 258 | L | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | Q | A | -1.7778 | |
| 261 | T | A | -1.4100 | |
| 262 | L | A | 0.0000 | |
| 263 | G | A | -1.2652 | |
| 264 | E | A | -2.0076 | |
| 265 | L | A | 0.0000 | |
| 266 | G | A | 0.0000 | |
| 267 | Y | A | 0.0000 | |
| 268 | R | A | -0.8710 | |
| 269 | A | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | W | A | -1.2412 | |
| 272 | K | A | -2.5515 | |
| 273 | K | A | -2.5966 | |
| 274 | A | A | -1.3085 | |
| 275 | Q | A | -1.2560 | |
| 276 | I | A | -0.3264 | |
| 277 | C | A | -1.2576 | |
| 278 | Q | A | -1.7025 | |
| 279 | K | A | -2.4070 | |
| 280 | Q | A | -2.3032 | |
| 281 | V | A | 0.0000 | |
| 282 | K | A | -1.3332 | |
| 283 | Y | A | 0.0000 | |
| 284 | L | A | -0.0776 | |
| 285 | G | A | -0.6072 | |
| 286 | Y | A | 0.0000 | |
| 287 | L | A | -0.6857 | |
| 288 | L | A | 0.0000 | |
| 289 | K | A | -2.3580 | |
| 290 | E | A | -2.6832 | |
| 291 | G | A | 0.0000 | |
| 292 | Q | A | -1.1002 | |
| 293 | R | A | 0.0000 | |
| 294 | W | A | -0.1185 | |
| 295 | L | A | -0.2511 | |
| 296 | T | A | 0.0000 | |
| 297 | E | A | -2.0889 | |
| 298 | A | A | -1.7315 | |
| 299 | R | A | -1.2816 | |
| 300 | K | A | -1.7355 | |
| 301 | E | A | -2.4561 | |
| 302 | T | A | -1.7147 | |
| 303 | I | A | 0.0000 | |
| 304 | M | A | -1.4915 | |
| 305 | K | A | -2.2677 | |
| 306 | Q | A | -1.3639 | |
| 307 | P | A | -1.0270 | |
| 308 | T | A | -0.9965 | |
| 309 | P | A | 0.0000 | |
| 310 | K | A | -2.2140 | |
| 311 | T | A | -1.7399 | |
| 312 | P | A | -2.2849 | |
| 313 | R | A | -3.4035 | |
| 314 | Q | A | -2.8810 | |
| 315 | L | A | 0.0000 | |
| 316 | R | A | -2.9525 | |
| 317 | E | A | -3.2661 | |
| 318 | F | A | 0.0000 | |
| 319 | L | A | -1.3755 | |
| 320 | G | A | -1.5708 | |
| 321 | K | A | -1.2103 | |
| 322 | A | A | 0.0000 | |
| 323 | G | A | -0.6033 | |
| 324 | F | A | 0.0701 | |
| 325 | C | A | 0.0000 | |
| 326 | R | A | -0.9985 | |
| 327 | L | A | 0.0000 | |
| 328 | W | A | 0.0000 | |
| 329 | I | A | 0.0000 | |
| 330 | P | A | -0.4000 | |
| 331 | G | A | 0.0000 | |
| 332 | F | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | E | A | -1.6336 | |
| 335 | M | A | -0.7237 | |
| 336 | A | A | 0.0000 | |
| 337 | A | A | -0.4631 | |
| 338 | P | A | -0.7613 | |
| 339 | L | A | 0.0000 | |
| 340 | Y | A | 0.1988 | |
| 341 | P | A | -0.0439 | |
| 342 | L | A | 0.0000 | |
| 343 | T | A | -1.1252 | |
| 344 | K | A | -1.8908 | |
| 345 | T | A | -0.9442 | |
| 346 | G | A | -0.5449 | |
| 347 | T | A | -0.1719 | |
| 348 | L | A | 0.9916 | |
| 349 | F | A | -0.0893 | |
| 350 | N | A | -0.8534 | |
| 351 | W | A | -1.0961 | |
| 352 | G | A | -1.5433 | |
| 353 | P | A | -2.1084 | |
| 354 | D | A | -2.9687 | |
| 355 | Q | A | -2.4061 | |
| 356 | Q | A | -2.8005 | |
| 357 | K | A | -3.5225 | |
| 358 | A | A | 0.0000 | |
| 359 | F | A | 0.0000 | |
| 360 | Q | A | -2.9645 | |
| 361 | E | A | -2.2445 | |
| 362 | I | A | 0.0000 | |
| 363 | K | A | -1.2698 | |
| 364 | Q | A | -1.3197 | |
| 365 | A | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | L | A | 0.4879 | |
| 368 | T | A | 0.2808 | |
| 369 | A | A | 0.2250 | |
| 370 | P | A | 0.0480 | |
| 371 | A | A | -0.1697 | |
| 372 | L | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | P | A | 0.0000 | |
| 376 | D | A | -0.3653 | |
| 377 | L | A | 0.0482 | |
| 378 | T | A | -0.4396 | |
| 379 | K | A | -1.0496 | |
| 380 | P | A | -0.9061 | |
| 381 | F | A | 0.0000 | |
| 382 | E | A | -0.5884 | |
| 383 | L | A | 0.0000 | |
| 384 | F | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | D | A | -0.8722 | |
| 387 | E | A | 0.0000 | |
| 388 | K | A | -2.7129 | |
| 389 | Q | A | -2.3749 | |
| 390 | G | A | -2.0663 | |
| 391 | Y | A | -2.1859 | |
| 392 | A | A | 0.0000 | |
| 393 | K | A | -1.1531 | |
| 394 | G | A | 0.0000 | |
| 395 | V | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | T | A | 0.0000 | |
| 398 | Q | A | 0.0000 | |
| 399 | K | A | -1.2222 | |
| 400 | L | A | -0.4189 | |
| 401 | G | A | -0.4591 | |
| 402 | P | A | -0.2485 | |
| 403 | W | A | 0.2303 | |
| 404 | R | A | -0.9507 | |
| 405 | R | A | -1.1352 | |
| 406 | P | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | A | A | 0.0000 | |
| 409 | Y | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | S | A | -1.2780 | |
| 412 | K | A | -2.0460 | |
| 413 | K | A | -2.7505 | |
| 414 | L | A | 0.0000 | |
| 415 | D | A | -1.3692 | |
| 416 | P | A | -0.5354 | |
| 417 | V | A | 0.4100 | |
| 418 | A | A | 0.0000 | |
| 419 | A | A | -0.9311 | |
| 420 | G | A | -0.3372 | |
| 421 | W | A | 0.0000 | |
| 422 | P | A | -0.2374 | |
| 423 | P | A | -0.8244 | |
| 424 | C | A | -0.3622 | |
| 425 | L | A | 0.0000 | |
| 426 | R | A | -0.8168 | |
| 427 | M | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | A | A | 0.0000 | |
| 430 | A | A | 0.0000 | |
| 431 | I | A | 0.0000 | |
| 432 | A | A | 0.0000 | |
| 433 | V | A | -0.6033 | |
| 434 | L | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | K | A | -1.9416 | |
| 437 | D | A | -1.9900 | |
| 438 | A | A | 0.0000 | |
| 439 | D | A | -2.6506 | |
| 440 | K | A | -2.5381 | |
| 441 | L | A | 0.0000 | |
| 442 | T | A | 0.0000 | |
| 443 | M | A | -0.1297 | |
| 444 | G | A | -1.0002 | |
| 445 | Q | A | -1.0195 | |
| 446 | P | A | -1.1561 | |
| 447 | L | A | 0.0000 | |
| 448 | V | A | -0.0772 | |
| 449 | I | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | P | A | -0.4809 | |
| 453 | H | A | -0.6415 | |
| 454 | A | A | -0.6663 | |
| 455 | V | A | 0.0000 | |
| 456 | E | A | -1.9997 | |
| 457 | A | A | -1.3903 | |
| 458 | L | A | -1.1810 | |
| 459 | I | A | -1.4400 | |
| 460 | K | A | -2.4878 | |
| 461 | Q | A | -2.0103 | |
| 462 | P | A | -1.6806 | |
| 463 | P | A | -2.0824 | |
| 464 | D | A | -3.1620 | |
| 465 | R | A | -2.9663 | |
| 466 | W | A | -1.3087 | |
| 467 | L | A | 0.0000 | |
| 468 | S | A | -1.4298 | |
| 469 | N | A | -2.2742 | |
| 470 | A | A | -1.5699 | |
| 471 | R | A | -1.3235 | |
| 472 | M | A | -1.1436 | |
| 473 | T | A | -0.8921 | |
| 474 | H | A | -1.3001 | |
| 475 | Y | A | 0.0000 | |
| 476 | Q | A | -1.4284 | |
| 477 | A | A | -0.8200 | |
| 478 | L | A | -0.9466 | |
| 479 | L | A | 0.0000 | |
| 480 | L | A | -1.4705 | |
| 481 | D | A | -2.3453 | |
| 482 | T | A | -2.0660 | |
| 483 | D | A | -2.9619 | |
| 484 | R | A | -2.5720 | |
| 485 | V | A | 0.0000 | |
| 486 | Q | A | -1.5128 | |
| 487 | F | A | -0.3590 | |
| 488 | G | A | -0.3820 | |
| 489 | P | A | -0.4310 | |
| 490 | V | A | 0.0000 | |
| 491 | V | A | 0.0000 | |
| 492 | A | A | -0.3358 | |
| 493 | L | A | -0.0785 | |
| 494 | N | A | -0.2392 | |
| 495 | P | A | -0.3763 | |
| 496 | A | A | -0.1593 | |
| 497 | T | A | -0.1183 | |
| 498 | L | A | 0.0000 | |
| 499 | L | A | 0.0479 | |
| 500 | P | A | -0.0091 | |
| 501 | L | A | 0.0524 | |
| 502 | P | A | -0.4072 | |
| 503 | E | A | -0.8875 | |
| 504 | E | A | -1.0274 | |
| 505 | G | A | -0.8566 | |
| 506 | L | A | 0.0604 | |
| 507 | Q | A | -0.6952 | |
| 508 | H | A | -1.2947 | |
| 509 | N | A | -1.2211 | |
| 510 | C | A | 0.0117 | |
| 511 | L | A | 0.0360 | |
| 512 | D | A | -0.6647 | |
| 513 | I | A | 1.3318 | |
| 514 | L | A | 0.7016 | |
| 515 | A | A | -0.0697 | |
| 516 | E | A | -0.6305 | |
| 517 | A | A | -0.5626 | |
| 518 | H | A | -1.0462 | |
| 519 | G | A | -1.0535 | |
| 520 | T | A | -1.3438 | |
| 521 | R | A | -1.7792 | |
| 522 | P | A | -1.5658 | |
| 523 | D | A | -2.5252 | |
| 524 | L | A | 0.0000 | |
| 525 | T | A | -1.9885 | |
| 526 | D | A | -2.4687 | |
| 527 | Q | A | -2.1840 | |
| 528 | P | A | -1.5552 | |
| 529 | L | A | -1.7285 | |
| 530 | P | A | -1.3945 | |
| 531 | D | A | -2.3162 | |
| 532 | A | A | -1.5902 | |
| 533 | D | A | -1.9337 | |
| 534 | H | A | -1.1944 | |
| 535 | T | A | -0.9183 | |
| 536 | W | A | 0.0000 | |
| 537 | Y | A | 0.0000 | |
| 538 | T | A | 0.0000 | |
| 539 | G | A | 0.0000 | |
| 540 | G | A | -0.9988 | |
| 541 | S | A | -0.6287 | |
| 542 | S | A | 0.0000 | |
| 543 | L | A | 0.9854 | |
| 544 | L | A | -0.1063 | |
| 545 | Q | A | -1.8143 | |
| 546 | E | A | -2.7814 | |
| 547 | G | A | -2.2100 | |
| 548 | Q | A | -2.1703 | |
| 549 | R | A | -1.5328 | |
| 550 | K | A | -1.1354 | |
| 551 | A | A | 0.0000 | |
| 552 | G | A | 0.0000 | |
| 553 | A | A | 0.0000 | |
| 554 | A | A | 0.0000 | |
| 555 | V | A | 0.0000 | |
| 556 | T | A | 0.0000 | |
| 557 | T | A | -1.2468 | |
| 558 | E | A | -2.6695 | |
| 559 | T | A | -1.4972 | |
| 560 | E | A | -1.1868 | |
| 561 | V | A | 1.0375 | |
| 562 | I | A | 1.1653 | |
| 563 | W | A | 0.5078 | |
| 564 | A | A | -0.2492 | |
| 565 | K | A | -1.6497 | |
| 566 | A | A | -1.1589 | |
| 567 | L | A | 0.0000 | |
| 568 | P | A | -0.9019 | |
| 569 | A | A | -1.1296 | |
| 570 | G | A | -0.8314 | |
| 571 | T | A | -0.5579 | |
| 572 | S | A | -0.5797 | |
| 573 | A | A | -0.2685 | |
| 574 | Q | A | -1.0061 | |
| 575 | R | A | -0.9321 | |
| 576 | A | A | 0.0000 | |
| 577 | Q | A | 0.0000 | |
| 578 | L | A | 0.0000 | |
| 579 | I | A | 0.0716 | |
| 580 | A | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | T | A | -0.5275 | |
| 583 | Q | A | -0.6010 | |
| 584 | A | A | 0.0000 | |
| 585 | L | A | 0.0000 | |
| 586 | K | A | -1.4887 | |
| 587 | M | A | -0.9657 | |
| 588 | A | A | 0.0000 | |
| 589 | E | A | -2.7438 | |
| 590 | G | A | -2.3849 | |
| 591 | K | A | -2.6184 | |
| 592 | K | A | -2.8780 | |
| 593 | L | A | 0.0000 | |
| 594 | N | A | 0.0000 | |
| 595 | V | A | 0.0000 | |
| 596 | Y | A | 0.0000 | |
| 597 | T | A | 0.0000 | |
| 598 | N | A | -1.0686 | |
| 599 | S | A | -1.0144 | |
| 600 | R | A | -1.6449 | |
| 601 | Y | A | -0.4876 | |
| 602 | A | A | 0.0000 | |
| 603 | F | A | 0.0383 | |
| 604 | A | A | 0.3594 | |
| 605 | T | A | 0.3302 | |
| 606 | A | A | 0.0000 | |
| 607 | H | A | 0.2925 | |
| 608 | I | A | 1.3527 | |
| 609 | H | A | 0.0000 | |
| 610 | G | A | -0.6308 | |
| 611 | E | A | -1.3673 | |
| 612 | I | A | -1.1254 | |
| 613 | Y | A | -1.9507 | |
| 614 | R | A | -3.2467 | |
| 615 | R | A | -3.2742 | |
| 616 | R | A | -3.0219 | |
| 617 | G | A | -1.7295 | |
| 618 | L | A | -1.2892 | |
| 619 | L | A | -0.1177 | |
| 620 | T | A | -1.3847 | |
| 621 | S | A | -1.6827 | |
| 622 | E | A | -2.5832 | |
| 623 | G | A | -2.5737 | |
| 624 | K | A | -3.3175 | |
| 625 | E | A | -3.3696 | |
| 626 | I | A | -2.0759 | |
| 627 | K | A | -2.8469 | |
| 628 | N | A | -2.3770 | |
| 629 | K | A | -2.2840 | |
| 630 | E | A | -2.5399 | |
| 631 | E | A | -1.2508 | |
| 632 | I | A | 0.0000 | |
| 633 | L | A | -0.6372 | |
| 634 | A | A | -0.7271 | |
| 635 | L | A | 0.0000 | |
| 636 | L | A | -0.2416 | |
| 637 | K | A | -0.8945 | |
| 638 | A | A | 0.0000 | |
| 639 | L | A | 0.0000 | |
| 640 | F | A | 0.5295 | |
| 641 | L | A | -0.3442 | |
| 642 | P | A | 0.0000 | |
| 643 | K | A | -3.1618 | |
| 644 | R | A | -3.2290 | |
| 645 | L | A | 0.0000 | |
| 646 | S | A | 0.0000 | |
| 647 | I | A | 0.0000 | |
| 648 | I | A | 0.0000 | |
| 649 | H | A | -0.7906 | |
| 650 | C | A | -0.7448 | |
| 651 | P | A | -1.4866 | |
| 652 | G | A | -1.7096 | |
| 653 | H | A | -2.5918 | |
| 654 | Q | A | -3.0594 | |
| 655 | K | A | -3.2690 | |
| 656 | G | A | -3.4365 | |
| 657 | D | A | -3.6363 | |
| 658 | S | A | -2.1479 | |
| 659 | A | A | -1.4954 | |
| 660 | E | A | -2.4135 | |
| 661 | A | A | 0.0000 | |
| 662 | R | A | -3.5802 | |
| 663 | G | A | 0.0000 | |
| 664 | N | A | 0.0000 | |
| 665 | R | A | -3.5718 | |
| 666 | M | A | -1.9111 | |
| 667 | A | A | 0.0000 | |
| 668 | R | A | -2.8384 | |
| 669 | Q | A | -2.7346 | |
| 670 | A | A | 0.0000 | |
| 671 | A | A | 0.0000 | |
| 672 | R | A | -2.6103 | |
| 673 | K | A | -2.3691 | |
| 674 | A | A | -1.1943 | |
| 675 | A | A | 0.0000 | |
| 676 | I | A | 0.3820 | |
| 677 | T | A | -0.4867 | |
| 678 | E | A | -1.6308 |
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 | -0.6179 | 3.2852 | View | CSV | PDB |
| 4.5 | -0.679 | 3.1027 | View | CSV | PDB |
| 5.0 | -0.7518 | 2.9027 | View | CSV | PDB |
| 5.5 | -0.821 | 2.7788 | View | CSV | PDB |
| 6.0 | -0.8709 | 2.8266 | View | CSV | PDB |
| 6.5 | -0.8915 | 2.897 | View | CSV | PDB |
| 7.0 | -0.8849 | 2.9917 | View | CSV | PDB |
| 7.5 | -0.8612 | 3.1003 | View | CSV | PDB |
| 8.0 | -0.8282 | 3.2147 | View | CSV | PDB |
| 8.5 | -0.7879 | 3.3307 | View | CSV | PDB |
| 9.0 | -0.7392 | 3.4466 | 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