| Chain sequence(s) |
A: RVGFFQLFRFSSSTDIWLMFVGSLCAFLHGIAQPGVLLIFGTMTDVFIDYDVELQELQIPGKACVNNTIVWTNSSLNQNMTNGTRCGLLNIESEMIKFASYYAGIAVAVLITGYIQICFWVIAAARQIQKMRKFYFRRIMRMEIGWFDCNSVGELNTRFSDDINKINDAIADQMALFIQRMTSTICGFLLGFFRGWKLTLVIISVSPLIGIGAATIGLSVSKFTDYELKAYAKAGVVADEVISSMRTVAAFGGEKREVERYEKNLVFAQRWGIRKGIVMGFFTGFVWCLIFLCYALAFWYGSTLVLDEGEYTPGTLVQIFLSVIVGALNLGNASPCLEAFATGRAAATSIFETIDRKPIIDCMSEDGYKLDRIKGEIEFHNVTFHYPSRPEVKILNDLNMVIKPGEMTALVGPSGAGKSTALQLIQRFYDPCEGMVTVDGHDIRSLNIQWLRDQIGIVEQEPVLFSTTIAENIRYGREDATMEDIVQAAKEANAYNFIMDLPQQFDTLVGEGGGQMSGGQKQRVAIARALIRNPKILLLDMATSALDNESEAMVQEVLSKIQHGHTIISVAHRLSTVRAADTIIGFEHGTAVERGTHEELLERKGVYFTLVTLQSQSYQDSLRASIRQRSKSQLSYLVHEPPLAVVDHKSVEPAPVRRILKFSAPEWPYMLVGSVGAAVNGTVTPLYAFLFSQILGTFSIPDKEEQRSQINGVCLLFVAMGCVSLFTQFLQGYAFAKSGELLTKRLRKFGFRAMLGQDIAWFDDLRNSPGALTTRLATDASQVQGAAGSQIGMIVNSFTNVTVAMIIAFSFSWKLSLVILCFFPFLALSGATQTRMLTGFASRDKQALEMVGQITNEALSNIRTVAGIGKERRFIEALETELEKPFKTAIQKANIYGFCFAFAQCIMFIANSASYRYGGYLISNEGLHFSYVFRVISAVVLSATALGRAFSYTPSYAKAKISAARFFQLLDRQPPISVYNTAGEKWDNFQGKIDFVDCKFTYPSRPDSQVLNGLSVSISPGQTLAFVGSSGCGKSTSIQLLERFYDPDQGKVMIDGHDSKKVNVQFLRSNIGIVSQEPVLFACSIMDNIKYGDNTKEIPMERVIAAAKQAQLHDFVMSLPEKYETNVGSQGSQLSRGEKQRIAIARAIVRDPKILLLDEATSALDTESEKTVQVALDKAREGRTCIVIAHRLSTIQNADIIAVMAQGVVIEKGTHEELMAQKGAYYKLVT
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. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/de9333be2cdd817/tmp/folded.pdb (00:19:05)
[INFO] Main: Simulation completed successfully. (00:25:49)
|
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 |
|---|---|---|---|---|
| 44 | R | A | -2.1410 | |
| 45 | V | A | 0.0000 | |
| 46 | G | A | -0.4463 | |
| 47 | F | A | 0.4724 | |
| 48 | F | A | 1.4421 | |
| 49 | Q | A | -0.1195 | |
| 50 | L | A | 0.0000 | |
| 51 | F | A | 0.3636 | |
| 52 | R | A | -0.6347 | |
| 53 | F | A | 0.0000 | |
| 54 | S | A | 0.0600 | |
| 55 | S | A | 0.1469 | |
| 56 | S | A | 0.5992 | |
| 57 | T | A | 0.8932 | |
| 58 | D | A | 0.0000 | |
| 59 | I | A | 2.6135 | |
| 60 | W | A | 2.6737 | |
| 61 | L | A | 2.1405 | |
| 62 | M | A | 2.2916 | |
| 63 | F | A | 3.2129 | |
| 64 | V | A | 2.2712 | |
| 65 | G | A | 0.0000 | |
| 66 | S | A | 1.8633 | |
| 67 | L | A | 2.0278 | |
| 68 | C | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | F | A | 1.9382 | |
| 71 | L | A | 1.6877 | |
| 72 | H | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | I | A | 1.5405 | |
| 75 | A | A | 0.6977 | |
| 76 | Q | A | 0.2399 | |
| 77 | P | A | 0.0000 | |
| 78 | G | A | 0.4226 | |
| 79 | V | A | 0.0000 | |
| 80 | L | A | 0.0000 | |
| 81 | L | A | 0.5078 | |
| 82 | I | A | 0.6050 | |
| 83 | F | A | 0.0000 | |
| 84 | G | A | 0.0000 | |
| 85 | T | A | 0.0895 | |
| 86 | M | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | D | A | -0.8249 | |
| 89 | V | A | -0.6775 | |
| 90 | F | A | 0.0000 | |
| 91 | I | A | 0.0000 | |
| 92 | D | A | -1.6287 | |
| 93 | Y | A | -0.7328 | |
| 94 | D | A | -0.5704 | |
| 95 | V | A | -0.2647 | |
| 96 | E | A | -0.8729 | |
| 97 | L | A | -0.4116 | |
| 98 | Q | A | -1.0103 | |
| 99 | E | A | -0.9458 | |
| 100 | L | A | -0.5436 | |
| 101 | Q | A | -1.3799 | |
| 102 | I | A | -0.8029 | |
| 103 | P | A | -0.7788 | |
| 104 | G | A | -0.6353 | |
| 105 | K | A | -1.2661 | |
| 106 | A | A | -0.1642 | |
| 107 | C | A | 0.5594 | |
| 108 | V | A | 0.9951 | |
| 109 | N | A | -0.5437 | |
| 110 | N | A | -0.7362 | |
| 111 | T | A | -0.0550 | |
| 112 | I | A | 0.3658 | |
| 113 | V | A | -0.1183 | |
| 114 | W | A | -0.1561 | |
| 115 | T | A | -0.1718 | |
| 116 | N | A | -0.6349 | |
| 117 | S | A | 0.0000 | |
| 118 | S | A | -0.0112 | |
| 119 | L | A | 0.2523 | |
| 120 | N | A | -1.2605 | |
| 121 | Q | A | -1.7009 | |
| 122 | N | A | -1.8619 | |
| 123 | M | A | 0.0000 | |
| 124 | T | A | -0.6859 | |
| 125 | N | A | -1.0951 | |
| 126 | G | A | -1.3188 | |
| 127 | T | A | -0.9825 | |
| 128 | R | A | -1.3571 | |
| 129 | C | A | 0.0000 | |
| 130 | G | A | 0.0514 | |
| 131 | L | A | 0.9591 | |
| 132 | L | A | -0.1596 | |
| 133 | N | A | -0.9269 | |
| 134 | I | A | 0.0000 | |
| 135 | E | A | -1.3902 | |
| 136 | S | A | -0.9867 | |
| 137 | E | A | -1.1169 | |
| 138 | M | A | 0.0000 | |
| 139 | I | A | 0.0086 | |
| 140 | K | A | -0.8699 | |
| 141 | F | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | S | A | -0.1045 | |
| 144 | Y | A | 0.4672 | |
| 145 | Y | A | 0.0000 | |
| 146 | A | A | 0.6023 | |
| 147 | G | A | 0.6825 | |
| 148 | I | A | 1.1768 | |
| 149 | A | A | 0.0000 | |
| 150 | V | A | 2.5517 | |
| 151 | A | A | 1.7886 | |
| 152 | V | A | 0.0000 | |
| 153 | L | A | 2.8484 | |
| 154 | I | A | 3.0918 | |
| 155 | T | A | 1.9067 | |
| 156 | G | A | 0.0000 | |
| 157 | Y | A | 2.0903 | |
| 158 | I | A | 1.4602 | |
| 159 | Q | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | C | A | 0.0000 | |
| 162 | F | A | 1.0115 | |
| 163 | W | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | I | A | 0.0957 | |
| 166 | A | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | A | A | 0.0000 | |
| 169 | R | A | -0.4955 | |
| 170 | Q | A | 0.0000 | |
| 171 | I | A | -0.1495 | |
| 172 | Q | A | -0.7458 | |
| 173 | K | A | -0.5255 | |
| 174 | M | A | 0.0000 | |
| 175 | R | A | 0.0000 | |
| 176 | K | A | -0.6362 | |
| 177 | F | A | 0.5238 | |
| 178 | Y | A | 0.0000 | |
| 179 | F | A | 0.0000 | |
| 180 | R | A | -1.2823 | |
| 181 | R | A | -1.2811 | |
| 182 | I | A | 0.0000 | |
| 183 | M | A | 0.0000 | |
| 184 | R | A | -0.9389 | |
| 185 | M | A | 0.0000 | |
| 186 | E | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | W | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | D | A | -0.5017 | |
| 192 | C | A | 0.0960 | |
| 193 | N | A | -0.2437 | |
| 194 | S | A | -0.5342 | |
| 195 | V | A | -0.6285 | |
| 196 | G | A | -1.0141 | |
| 197 | E | A | -1.1582 | |
| 198 | L | A | 0.0000 | |
| 199 | N | A | -1.3962 | |
| 200 | T | A | -1.3906 | |
| 201 | R | A | -1.3811 | |
| 202 | F | A | 0.0000 | |
| 203 | S | A | -1.9823 | |
| 204 | D | A | -2.6792 | |
| 205 | D | A | -1.9704 | |
| 206 | I | A | 0.0000 | |
| 207 | N | A | -2.1655 | |
| 208 | K | A | -2.3443 | |
| 209 | I | A | 0.0000 | |
| 210 | N | A | -1.5577 | |
| 211 | D | A | -1.9266 | |
| 212 | A | A | 0.0000 | |
| 213 | I | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | D | A | -0.3620 | |
| 216 | Q | A | -0.3084 | |
| 217 | M | A | 0.1649 | |
| 218 | A | A | 0.0000 | |
| 219 | L | A | 0.3860 | |
| 220 | F | A | 0.9130 | |
| 221 | I | A | 0.9206 | |
| 222 | Q | A | 0.0000 | |
| 223 | R | A | 0.0000 | |
| 224 | M | A | 1.3320 | |
| 225 | T | A | 1.5962 | |
| 226 | S | A | 0.0000 | |
| 227 | T | A | 0.0000 | |
| 228 | I | A | 2.5996 | |
| 229 | C | A | 1.8336 | |
| 230 | G | A | 0.0000 | |
| 231 | F | A | 2.1912 | |
| 232 | L | A | 2.4944 | |
| 233 | L | A | 1.8491 | |
| 234 | G | A | 0.0000 | |
| 235 | F | A | 2.2508 | |
| 236 | F | A | 2.1787 | |
| 237 | R | A | -0.1455 | |
| 238 | G | A | 0.0000 | |
| 239 | W | A | 1.6058 | |
| 240 | K | A | 0.0367 | |
| 241 | L | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | L | A | 1.5522 | |
| 244 | V | A | 0.9533 | |
| 245 | I | A | 0.0000 | |
| 246 | I | A | 0.8242 | |
| 247 | S | A | 0.5512 | |
| 248 | V | A | 0.7981 | |
| 249 | S | A | 0.6616 | |
| 250 | P | A | 0.7979 | |
| 251 | L | A | 1.7380 | |
| 252 | I | A | 1.4799 | |
| 253 | G | A | 1.1061 | |
| 254 | I | A | 2.2716 | |
| 255 | G | A | 0.0000 | |
| 256 | A | A | 1.0722 | |
| 257 | A | A | 1.1257 | |
| 258 | T | A | 0.9952 | |
| 259 | I | A | 0.0000 | |
| 260 | G | A | 0.3398 | |
| 261 | L | A | 1.0445 | |
| 262 | S | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | -0.6301 | |
| 265 | K | A | -0.8305 | |
| 266 | F | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | D | A | -1.4026 | |
| 269 | Y | A | -0.4397 | |
| 270 | E | A | -1.0487 | |
| 271 | L | A | 0.0000 | |
| 272 | K | A | -1.7058 | |
| 273 | A | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | A | A | -0.7561 | |
| 276 | K | A | -1.2149 | |
| 277 | A | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | V | A | 1.0476 | |
| 280 | V | A | 0.0000 | |
| 281 | A | A | 0.0000 | |
| 282 | D | A | -0.4140 | |
| 283 | E | A | -0.2238 | |
| 284 | V | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | S | A | -0.6300 | |
| 287 | S | A | -0.3413 | |
| 288 | M | A | 0.0000 | |
| 289 | R | A | -0.6836 | |
| 290 | T | A | -0.1917 | |
| 291 | V | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | G | A | -0.8306 | |
| 296 | G | A | 0.0000 | |
| 297 | E | A | 0.0000 | |
| 298 | K | A | -3.0498 | |
| 299 | R | A | -3.0833 | |
| 300 | E | A | 0.0000 | |
| 301 | V | A | 0.0000 | |
| 302 | E | A | -3.5791 | |
| 303 | R | A | -2.7507 | |
| 304 | Y | A | 0.0000 | |
| 305 | E | A | -2.5961 | |
| 306 | K | A | -2.7249 | |
| 307 | N | A | -1.4438 | |
| 308 | L | A | 0.0000 | |
| 309 | V | A | -0.5406 | |
| 310 | F | A | -0.3618 | |
| 311 | A | A | -0.7262 | |
| 312 | Q | A | -0.9601 | |
| 313 | R | A | -1.8213 | |
| 314 | W | A | -1.0027 | |
| 315 | G | A | 0.0000 | |
| 316 | I | A | -0.8950 | |
| 317 | R | A | -1.5180 | |
| 318 | K | A | 0.0000 | |
| 319 | G | A | 0.0954 | |
| 320 | I | A | 0.9290 | |
| 321 | V | A | 0.9071 | |
| 322 | M | A | 0.8084 | |
| 323 | G | A | 0.0000 | |
| 324 | F | A | 2.3739 | |
| 325 | F | A | 1.6810 | |
| 326 | T | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | F | A | 1.8234 | |
| 329 | V | A | 0.0000 | |
| 330 | W | A | 1.4458 | |
| 331 | C | A | 1.6316 | |
| 332 | L | A | 0.0000 | |
| 333 | I | A | 0.9712 | |
| 334 | F | A | 0.0000 | |
| 335 | L | A | 1.5106 | |
| 336 | C | A | 1.0052 | |
| 337 | Y | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | L | A | 1.3059 | |
| 340 | A | A | 0.0000 | |
| 341 | F | A | 0.0000 | |
| 342 | W | A | 1.0051 | |
| 343 | Y | A | 0.8977 | |
| 344 | G | A | 0.0000 | |
| 345 | S | A | 0.0000 | |
| 346 | T | A | 0.3090 | |
| 347 | L | A | 0.5035 | |
| 348 | V | A | 0.0000 | |
| 349 | L | A | -0.7376 | |
| 350 | D | A | -1.4885 | |
| 351 | E | A | -1.9441 | |
| 352 | G | A | -1.9272 | |
| 353 | E | A | -2.2015 | |
| 354 | Y | A | -1.2404 | |
| 355 | T | A | -0.7444 | |
| 356 | P | A | -0.2975 | |
| 357 | G | A | 0.0000 | |
| 358 | T | A | -0.5590 | |
| 359 | L | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | Q | A | 0.0000 | |
| 362 | I | A | 0.0000 | |
| 363 | F | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | S | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | I | A | 0.4914 | |
| 368 | V | A | 0.0000 | |
| 369 | G | A | 0.0000 | |
| 370 | A | A | 0.7616 | |
| 371 | L | A | 0.5584 | |
| 372 | N | A | 0.0000 | |
| 373 | L | A | 1.1402 | |
| 374 | G | A | 0.0517 | |
| 375 | N | A | -0.1088 | |
| 376 | A | A | 0.0000 | |
| 377 | S | A | -0.1535 | |
| 378 | P | A | -0.5286 | |
| 379 | C | A | 0.0000 | |
| 380 | L | A | 0.4766 | |
| 381 | E | A | -1.2997 | |
| 382 | A | A | -1.1506 | |
| 383 | F | A | 0.0000 | |
| 384 | A | A | -0.6072 | |
| 385 | T | A | -1.0015 | |
| 386 | G | A | 0.0000 | |
| 387 | R | A | -1.3087 | |
| 388 | A | A | -0.8616 | |
| 389 | A | A | -0.8931 | |
| 390 | A | A | 0.0000 | |
| 391 | T | A | -1.0396 | |
| 392 | S | A | -0.6958 | |
| 393 | I | A | 0.0000 | |
| 394 | F | A | 0.0000 | |
| 395 | E | A | -2.2596 | |
| 396 | T | A | 0.0000 | |
| 397 | I | A | 0.0000 | |
| 398 | D | A | -2.8940 | |
| 399 | R | A | -2.2998 | |
| 400 | K | A | -2.1115 | |
| 401 | P | A | 0.0000 | |
| 402 | I | A | 1.4592 | |
| 403 | I | A | 0.6130 | |
| 404 | D | A | -0.1157 | |
| 405 | C | A | -0.7141 | |
| 406 | M | A | -0.5755 | |
| 407 | S | A | -1.0752 | |
| 408 | E | A | -2.0308 | |
| 409 | D | A | -1.6675 | |
| 410 | G | A | -1.0165 | |
| 411 | Y | A | -0.1571 | |
| 412 | K | A | -1.5506 | |
| 413 | L | A | -1.6535 | |
| 414 | D | A | -3.1052 | |
| 415 | R | A | -3.0929 | |
| 416 | I | A | -2.5414 | |
| 417 | K | A | -3.1965 | |
| 418 | G | A | 0.0000 | |
| 419 | E | A | -2.3281 | |
| 420 | I | A | 0.0000 | |
| 421 | E | A | -1.3235 | |
| 422 | F | A | 0.0000 | |
| 423 | H | A | -1.6310 | |
| 424 | N | A | -2.6710 | |
| 425 | V | A | 0.0000 | |
| 426 | T | A | -1.9849 | |
| 427 | F | A | 0.0000 | |
| 428 | H | A | -1.5024 | |
| 429 | Y | A | -1.0665 | |
| 430 | P | A | -0.8454 | |
| 431 | S | A | -1.1029 | |
| 432 | R | A | -2.4332 | |
| 433 | P | A | -2.0293 | |
| 434 | E | A | -2.4520 | |
| 435 | V | A | -1.2539 | |
| 436 | K | A | -2.0496 | |
| 437 | I | A | -0.9639 | |
| 438 | L | A | 0.0000 | |
| 439 | N | A | -2.4594 | |
| 440 | D | A | -2.9424 | |
| 441 | L | A | 0.0000 | |
| 442 | N | A | -1.6574 | |
| 443 | M | A | 0.0000 | |
| 444 | V | A | -0.8415 | |
| 445 | I | A | 0.0000 | |
| 446 | K | A | -2.4774 | |
| 447 | P | A | -1.9732 | |
| 448 | G | A | -1.9116 | |
| 449 | E | A | 0.0000 | |
| 450 | M | A | -1.0182 | |
| 451 | T | A | 0.0000 | |
| 452 | A | A | 0.0000 | |
| 453 | L | A | 0.0000 | |
| 454 | V | A | 0.0000 | |
| 455 | G | A | -0.5268 | |
| 456 | P | A | -0.8621 | |
| 457 | S | A | -0.7883 | |
| 458 | G | A | -0.9696 | |
| 459 | A | A | 0.0000 | |
| 460 | G | A | -0.9275 | |
| 461 | K | A | -0.6777 | |
| 462 | S | A | -0.3766 | |
| 463 | T | A | 0.0000 | |
| 464 | A | A | 0.0000 | |
| 465 | L | A | 0.0000 | |
| 466 | Q | A | -0.3316 | |
| 467 | L | A | 0.0000 | |
| 468 | I | A | 0.0000 | |
| 469 | Q | A | 0.0000 | |
| 470 | R | A | 0.0000 | |
| 471 | F | A | 0.0000 | |
| 472 | Y | A | 0.0000 | |
| 473 | D | A | -0.5298 | |
| 474 | P | A | -0.7136 | |
| 475 | C | A | -0.6997 | |
| 476 | E | A | -2.1886 | |
| 477 | G | A | -1.7159 | |
| 478 | M | A | -0.8586 | |
| 479 | V | A | 0.0000 | |
| 480 | T | A | 0.0000 | |
| 481 | V | A | 0.0000 | |
| 482 | D | A | -1.8848 | |
| 483 | G | A | -1.4121 | |
| 484 | H | A | -1.0341 | |
| 485 | D | A | -1.0233 | |
| 486 | I | A | 0.0000 | |
| 487 | R | A | -0.8538 | |
| 488 | S | A | -0.9406 | |
| 489 | L | A | 0.0000 | |
| 490 | N | A | 0.0000 | |
| 491 | I | A | 0.0000 | |
| 492 | Q | A | -1.5471 | |
| 493 | W | A | -1.2225 | |
| 494 | L | A | 0.0000 | |
| 495 | R | A | -1.1820 | |
| 496 | D | A | -2.4340 | |
| 497 | Q | A | 0.0000 | |
| 498 | I | A | 0.0000 | |
| 499 | G | A | 0.0000 | |
| 500 | I | A | -0.0929 | |
| 501 | V | A | 0.0000 | |
| 502 | E | A | -1.3568 | |
| 503 | Q | A | -1.8096 | |
| 504 | E | A | -2.3134 | |
| 505 | P | A | -1.2139 | |
| 506 | V | A | -0.8905 | |
| 507 | L | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | S | A | -0.6111 | |
| 510 | T | A | -0.2314 | |
| 511 | T | A | -0.3356 | |
| 512 | I | A | 0.0000 | |
| 513 | A | A | -0.5251 | |
| 514 | E | A | -0.7648 | |
| 515 | N | A | 0.0000 | |
| 516 | I | A | 0.0000 | |
| 517 | R | A | -1.1358 | |
| 518 | Y | A | -0.9293 | |
| 519 | G | A | 0.0000 | |
| 520 | R | A | -2.0978 | |
| 521 | E | A | -2.1133 | |
| 522 | D | A | -2.3836 | |
| 523 | A | A | 0.0000 | |
| 524 | T | A | -1.3052 | |
| 525 | M | A | -0.9092 | |
| 526 | E | A | -2.0417 | |
| 527 | D | A | -2.1251 | |
| 528 | I | A | 0.0000 | |
| 529 | V | A | -1.3146 | |
| 530 | Q | A | -2.2441 | |
| 531 | A | A | 0.0000 | |
| 532 | A | A | 0.0000 | |
| 533 | K | A | -2.6451 | |
| 534 | E | A | -2.0786 | |
| 535 | A | A | 0.0000 | |
| 536 | N | A | -2.3825 | |
| 537 | A | A | 0.0000 | |
| 538 | Y | A | -1.3747 | |
| 539 | N | A | -1.6491 | |
| 540 | F | A | -0.6155 | |
| 541 | I | A | 0.0000 | |
| 542 | M | A | -1.3872 | |
| 543 | D | A | -1.9686 | |
| 544 | L | A | -1.5124 | |
| 545 | P | A | -1.5931 | |
| 546 | Q | A | -2.2774 | |
| 547 | Q | A | -2.2640 | |
| 548 | F | A | -1.3448 | |
| 549 | D | A | -2.0560 | |
| 550 | T | A | -0.9422 | |
| 551 | L | A | 0.0790 | |
| 552 | V | A | 0.0000 | |
| 553 | G | A | 0.0000 | |
| 554 | E | A | -2.4320 | |
| 555 | G | A | -1.7448 | |
| 556 | G | A | -1.4945 | |
| 557 | G | A | -1.3729 | |
| 558 | Q | A | -1.9191 | |
| 559 | M | A | -1.0476 | |
| 560 | S | A | -0.7254 | |
| 561 | G | A | -1.0406 | |
| 562 | G | A | 0.0000 | |
| 563 | Q | A | 0.0000 | |
| 564 | K | A | -0.7069 | |
| 565 | Q | A | 0.0000 | |
| 566 | R | A | 0.0000 | |
| 567 | V | A | 0.0000 | |
| 568 | A | A | 0.0000 | |
| 569 | I | A | 0.0000 | |
| 570 | A | A | 0.0000 | |
| 571 | R | A | 0.0000 | |
| 572 | A | A | 0.0000 | |
| 573 | L | A | 0.0000 | |
| 574 | I | A | 0.0000 | |
| 575 | R | A | -1.7977 | |
| 576 | N | A | -1.9177 | |
| 577 | P | A | 0.0000 | |
| 578 | K | A | -2.4366 | |
| 579 | I | A | 0.0000 | |
| 580 | L | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | L | A | 0.0000 | |
| 583 | D | A | -0.8132 | |
| 584 | M | A | -0.9065 | |
| 585 | A | A | 0.0000 | |
| 586 | T | A | -1.2386 | |
| 587 | S | A | -1.2059 | |
| 588 | A | A | -1.1763 | |
| 589 | L | A | -1.7619 | |
| 590 | D | A | -2.9338 | |
| 591 | N | A | -2.9553 | |
| 592 | E | A | -2.9042 | |
| 593 | S | A | 0.0000 | |
| 594 | E | A | 0.0000 | |
| 595 | A | A | -1.5880 | |
| 596 | M | A | -1.4560 | |
| 597 | V | A | 0.0000 | |
| 598 | Q | A | -1.4291 | |
| 599 | E | A | -2.3964 | |
| 600 | V | A | 0.0000 | |
| 601 | L | A | 0.0000 | |
| 602 | S | A | -1.4324 | |
| 603 | K | A | -2.0769 | |
| 604 | I | A | -0.6074 | |
| 605 | Q | A | -0.9165 | |
| 606 | H | A | -1.5127 | |
| 607 | G | A | -1.3977 | |
| 608 | H | A | -1.7189 | |
| 609 | T | A | 0.0000 | |
| 610 | I | A | 0.0000 | |
| 611 | I | A | 0.0000 | |
| 612 | S | A | -0.0559 | |
| 613 | V | A | 0.0000 | |
| 614 | A | A | -0.6680 | |
| 615 | H | A | -1.2278 | |
| 616 | R | A | -1.3915 | |
| 617 | L | A | -0.7185 | |
| 618 | S | A | -0.7487 | |
| 619 | T | A | -0.8632 | |
| 620 | V | A | 0.0000 | |
| 621 | R | A | -1.7450 | |
| 622 | A | A | -1.0029 | |
| 623 | A | A | -1.2412 | |
| 624 | D | A | -2.1888 | |
| 625 | T | A | -1.7586 | |
| 626 | I | A | 0.0000 | |
| 627 | I | A | 0.0000 | |
| 628 | G | A | 0.0000 | |
| 629 | F | A | 0.0000 | |
| 630 | E | A | -1.5403 | |
| 631 | H | A | -1.7838 | |
| 632 | G | A | 0.0000 | |
| 633 | T | A | -1.1584 | |
| 634 | A | A | -0.4706 | |
| 635 | V | A | 0.6929 | |
| 636 | E | A | -0.4833 | |
| 637 | R | A | -1.0662 | |
| 638 | G | A | -1.7604 | |
| 639 | T | A | -2.3303 | |
| 640 | H | A | -2.4627 | |
| 641 | E | A | -3.1981 | |
| 642 | E | A | -3.5366 | |
| 643 | L | A | 0.0000 | |
| 644 | L | A | -1.9526 | |
| 645 | E | A | -3.4591 | |
| 646 | R | A | -2.7890 | |
| 647 | K | A | -1.6014 | |
| 648 | G | A | 0.0000 | |
| 649 | V | A | 1.8124 | |
| 650 | Y | A | 1.7468 | |
| 651 | F | A | 0.0000 | |
| 652 | T | A | 1.4701 | |
| 653 | L | A | 2.3538 | |
| 654 | V | A | 1.5250 | |
| 655 | T | A | 0.8866 | |
| 656 | L | A | 1.2569 | |
| 657 | Q | A | -0.2410 | |
| 658 | S | A | -0.5283 | |
| 659 | Q | A | -0.8259 | |
| 686 | S | A | -0.9755 | |
| 687 | Y | A | 0.0000 | |
| 688 | Q | A | -2.0502 | |
| 689 | D | A | -2.5156 | |
| 690 | S | A | -1.6167 | |
| 691 | L | A | 0.0000 | |
| 692 | R | A | -2.3845 | |
| 693 | A | A | -1.6606 | |
| 694 | S | A | -1.4658 | |
| 695 | I | A | 0.0000 | |
| 696 | R | A | -2.2634 | |
| 697 | Q | A | -2.1179 | |
| 698 | R | A | -1.5898 | |
| 699 | S | A | 0.0000 | |
| 700 | K | A | -1.9631 | |
| 701 | S | A | -1.1707 | |
| 702 | Q | A | -0.7740 | |
| 703 | L | A | -0.2704 | |
| 704 | S | A | -0.0264 | |
| 705 | Y | A | 0.7606 | |
| 706 | L | A | 0.8880 | |
| 707 | V | A | 0.8245 | |
| 708 | H | A | 0.5316 | |
| 709 | E | A | 0.0000 | |
| 710 | P | A | 0.0000 | |
| 711 | P | A | 0.0000 | |
| 712 | L | A | 0.0000 | |
| 713 | A | A | 0.0000 | |
| 714 | V | A | 0.0000 | |
| 715 | V | A | 0.0900 | |
| 716 | D | A | 0.0000 | |
| 717 | H | A | -0.5361 | |
| 718 | K | A | -0.7873 | |
| 719 | S | A | -0.5774 | |
| 736 | V | A | 0.4644 | |
| 737 | E | A | -1.1718 | |
| 738 | P | A | -0.8729 | |
| 739 | A | A | 0.0000 | |
| 740 | P | A | -0.8730 | |
| 741 | V | A | -0.7708 | |
| 742 | R | A | -2.2353 | |
| 743 | R | A | -1.9072 | |
| 744 | I | A | 0.0000 | |
| 745 | L | A | -0.9057 | |
| 746 | K | A | -1.9382 | |
| 747 | F | A | -0.8227 | |
| 748 | S | A | 0.0000 | |
| 749 | A | A | -0.2368 | |
| 750 | P | A | -0.0691 | |
| 751 | E | A | 0.0000 | |
| 752 | W | A | 1.1623 | |
| 753 | P | A | 0.9766 | |
| 754 | Y | A | 1.5345 | |
| 755 | M | A | 0.0000 | |
| 756 | L | A | 2.2349 | |
| 757 | V | A | 2.3531 | |
| 758 | G | A | 0.0000 | |
| 759 | S | A | 1.8850 | |
| 760 | V | A | 2.5410 | |
| 761 | G | A | 0.0000 | |
| 762 | A | A | 0.0000 | |
| 763 | A | A | 1.3303 | |
| 764 | V | A | 1.0233 | |
| 765 | N | A | 0.7363 | |
| 766 | G | A | 0.0000 | |
| 767 | T | A | 0.6138 | |
| 768 | V | A | 0.0000 | |
| 769 | T | A | 0.4050 | |
| 770 | P | A | 0.0000 | |
| 771 | L | A | 1.0243 | |
| 772 | Y | A | 0.0000 | |
| 773 | A | A | 0.0000 | |
| 774 | F | A | 0.6397 | |
| 775 | L | A | 0.0000 | |
| 776 | F | A | 0.0000 | |
| 777 | S | A | 0.0000 | |
| 778 | Q | A | -0.2932 | |
| 779 | I | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | G | A | -0.1903 | |
| 782 | T | A | 0.0000 | |
| 783 | F | A | 0.0000 | |
| 784 | S | A | 0.0000 | |
| 785 | I | A | -1.2994 | |
| 786 | P | A | -1.8746 | |
| 787 | D | A | -3.7263 | |
| 788 | K | A | -4.3255 | |
| 789 | E | A | -4.4809 | |
| 790 | E | A | -4.3441 | |
| 791 | Q | A | -3.4118 | |
| 792 | R | A | -3.2385 | |
| 793 | S | A | -2.5766 | |
| 794 | Q | A | -1.9533 | |
| 795 | I | A | 0.0000 | |
| 796 | N | A | -0.7671 | |
| 797 | G | A | 0.1159 | |
| 798 | V | A | 0.0000 | |
| 799 | C | A | 0.0000 | |
| 800 | L | A | 2.3442 | |
| 801 | L | A | 2.1706 | |
| 802 | F | A | 0.0000 | |
| 803 | V | A | 2.4317 | |
| 804 | A | A | 1.9642 | |
| 805 | M | A | 0.0000 | |
| 806 | G | A | 0.0000 | |
| 807 | C | A | 2.4436 | |
| 808 | V | A | 2.5191 | |
| 809 | S | A | 0.0000 | |
| 810 | L | A | 2.6486 | |
| 811 | F | A | 3.2490 | |
| 812 | T | A | 0.0000 | |
| 813 | Q | A | 0.0000 | |
| 814 | F | A | 2.5400 | |
| 815 | L | A | 2.0652 | |
| 816 | Q | A | 0.0000 | |
| 817 | G | A | 0.8690 | |
| 818 | Y | A | 1.0753 | |
| 819 | A | A | 0.0000 | |
| 820 | F | A | 0.6989 | |
| 821 | A | A | 0.0570 | |
| 822 | K | A | -0.3527 | |
| 823 | S | A | 0.0000 | |
| 824 | G | A | 0.0000 | |
| 825 | E | A | -0.5697 | |
| 826 | L | A | -0.2790 | |
| 827 | L | A | 0.0000 | |
| 828 | T | A | 0.0000 | |
| 829 | K | A | -0.6762 | |
| 830 | R | A | -0.5512 | |
| 831 | L | A | 0.0000 | |
| 832 | R | A | 0.0000 | |
| 833 | K | A | -1.1248 | |
| 834 | F | A | -0.0091 | |
| 835 | G | A | 0.0000 | |
| 836 | F | A | 0.0000 | |
| 837 | R | A | -1.0911 | |
| 838 | A | A | -0.4599 | |
| 839 | M | A | 0.0000 | |
| 840 | L | A | 0.0000 | |
| 841 | G | A | 0.0000 | |
| 842 | Q | A | 0.0000 | |
| 843 | D | A | 0.0000 | |
| 844 | I | A | 0.0000 | |
| 845 | A | A | -0.3329 | |
| 846 | W | A | -0.2835 | |
| 847 | F | A | 0.0000 | |
| 848 | D | A | -0.8876 | |
| 849 | D | A | -0.7640 | |
| 850 | L | A | 0.1022 | |
| 851 | R | A | -1.3045 | |
| 852 | N | A | 0.0000 | |
| 853 | S | A | -0.3810 | |
| 854 | P | A | -0.6579 | |
| 855 | G | A | -0.5279 | |
| 856 | A | A | -0.3895 | |
| 857 | L | A | 0.0000 | |
| 858 | T | A | 0.0000 | |
| 859 | T | A | -0.6639 | |
| 860 | R | A | -0.4829 | |
| 861 | L | A | 0.0000 | |
| 862 | A | A | 0.0000 | |
| 863 | T | A | -0.5429 | |
| 864 | D | A | 0.0000 | |
| 865 | A | A | 0.0000 | |
| 866 | S | A | 0.0000 | |
| 867 | Q | A | 0.0000 | |
| 868 | V | A | 0.0000 | |
| 869 | Q | A | -0.1401 | |
| 870 | G | A | -0.3213 | |
| 871 | A | A | 0.0000 | |
| 872 | A | A | 0.0000 | |
| 873 | G | A | 0.0000 | |
| 874 | S | A | 0.1625 | |
| 875 | Q | A | 0.3888 | |
| 876 | I | A | 0.8021 | |
| 877 | G | A | 0.0000 | |
| 878 | M | A | 0.9388 | |
| 879 | I | A | 1.5554 | |
| 880 | V | A | 1.6855 | |
| 881 | N | A | 1.1103 | |
| 882 | S | A | 0.0000 | |
| 883 | F | A | 2.3400 | |
| 884 | T | A | 1.2722 | |
| 885 | N | A | 0.0000 | |
| 886 | V | A | 1.3757 | |
| 887 | T | A | 1.3742 | |
| 888 | V | A | 1.5821 | |
| 889 | A | A | 0.0000 | |
| 890 | M | A | 1.7078 | |
| 891 | I | A | 2.6202 | |
| 892 | I | A | 0.0000 | |
| 893 | A | A | 0.0000 | |
| 894 | F | A | 2.0371 | |
| 895 | S | A | 1.3336 | |
| 896 | F | A | 1.2313 | |
| 897 | S | A | 1.0347 | |
| 898 | W | A | 1.7690 | |
| 899 | K | A | 0.4352 | |
| 900 | L | A | 0.0000 | |
| 901 | S | A | 0.0000 | |
| 902 | L | A | 1.8074 | |
| 903 | V | A | 1.4122 | |
| 904 | I | A | 0.0000 | |
| 905 | L | A | 1.5519 | |
| 906 | C | A | 1.6208 | |
| 907 | F | A | 1.4075 | |
| 908 | F | A | 1.2736 | |
| 909 | P | A | 1.0127 | |
| 910 | F | A | 1.6774 | |
| 911 | L | A | 0.0000 | |
| 912 | A | A | 0.0000 | |
| 913 | L | A | 1.2938 | |
| 914 | S | A | 0.6899 | |
| 915 | G | A | -0.0217 | |
| 916 | A | A | 0.0000 | |
| 917 | T | A | 0.0452 | |
| 918 | Q | A | 0.0000 | |
| 919 | T | A | -0.5884 | |
| 920 | R | A | -1.2268 | |
| 921 | M | A | -0.3137 | |
| 922 | L | A | -0.1230 | |
| 923 | T | A | -0.6376 | |
| 924 | G | A | -1.0506 | |
| 925 | F | A | 0.0000 | |
| 926 | A | A | -1.3670 | |
| 927 | S | A | -1.8281 | |
| 928 | R | A | -2.6873 | |
| 929 | D | A | -3.0002 | |
| 930 | K | A | -3.6706 | |
| 931 | Q | A | -3.3170 | |
| 932 | A | A | 0.0000 | |
| 933 | L | A | 0.0000 | |
| 934 | E | A | -2.9883 | |
| 935 | M | A | -1.5459 | |
| 936 | V | A | 0.0000 | |
| 937 | G | A | -1.8533 | |
| 938 | Q | A | -1.7857 | |
| 939 | I | A | -0.9177 | |
| 940 | T | A | 0.0000 | |
| 941 | N | A | -1.2589 | |
| 942 | E | A | -1.1749 | |
| 943 | A | A | 0.0000 | |
| 944 | L | A | 0.0000 | |
| 945 | S | A | -0.7652 | |
| 946 | N | A | -0.7828 | |
| 947 | I | A | 0.0000 | |
| 948 | R | A | -0.8027 | |
| 949 | T | A | 0.0000 | |
| 950 | V | A | 0.0000 | |
| 951 | A | A | -0.8249 | |
| 952 | G | A | 0.0000 | |
| 953 | I | A | 0.0000 | |
| 954 | G | A | -0.9819 | |
| 955 | K | A | -1.6755 | |
| 956 | E | A | -1.9560 | |
| 957 | R | A | -2.9334 | |
| 958 | R | A | -2.2783 | |
| 959 | F | A | 0.0000 | |
| 960 | I | A | 0.0000 | |
| 961 | E | A | -2.8605 | |
| 962 | A | A | -1.5352 | |
| 963 | L | A | 0.0000 | |
| 964 | E | A | -1.8494 | |
| 965 | T | A | -1.8047 | |
| 966 | E | A | -1.8668 | |
| 967 | L | A | 0.0000 | |
| 968 | E | A | -3.0520 | |
| 969 | K | A | -2.7913 | |
| 970 | P | A | -2.3939 | |
| 971 | F | A | -1.7139 | |
| 972 | K | A | -2.4357 | |
| 973 | T | A | 0.0000 | |
| 974 | A | A | -1.0452 | |
| 975 | I | A | -0.4862 | |
| 976 | Q | A | -0.5842 | |
| 977 | K | A | -0.2817 | |
| 978 | A | A | 0.0000 | |
| 979 | N | A | 0.6234 | |
| 980 | I | A | 1.5531 | |
| 981 | Y | A | 0.0000 | |
| 982 | G | A | 0.0000 | |
| 983 | F | A | 2.9883 | |
| 984 | C | A | 1.7807 | |
| 985 | F | A | 0.0000 | |
| 986 | A | A | 0.0000 | |
| 987 | F | A | 2.4097 | |
| 988 | A | A | 1.1737 | |
| 989 | Q | A | 0.6920 | |
| 990 | C | A | 0.0000 | |
| 991 | I | A | 0.0000 | |
| 992 | M | A | 0.0000 | |
| 993 | F | A | 0.0000 | |
| 994 | I | A | 0.8997 | |
| 995 | A | A | 0.0000 | |
| 996 | N | A | 0.0000 | |
| 997 | S | A | 0.0000 | |
| 998 | A | A | 0.0409 | |
| 999 | S | A | 0.0000 | |
| 1000 | Y | A | 0.0000 | |
| 1001 | R | A | -1.0031 | |
| 1002 | Y | A | -0.0960 | |
| 1003 | G | A | 0.0000 | |
| 1004 | G | A | 0.0000 | |
| 1005 | Y | A | -0.2898 | |
| 1006 | L | A | 0.0000 | |
| 1007 | I | A | 0.0000 | |
| 1008 | S | A | -1.3573 | |
| 1009 | N | A | -2.1963 | |
| 1010 | E | A | -2.5025 | |
| 1011 | G | A | -1.6424 | |
| 1012 | L | A | -0.6514 | |
| 1013 | H | A | -0.4001 | |
| 1014 | F | A | 0.0000 | |
| 1015 | S | A | 0.0000 | |
| 1016 | Y | A | 0.4677 | |
| 1017 | V | A | 0.0000 | |
| 1018 | F | A | 0.0000 | |
| 1019 | R | A | 0.0000 | |
| 1020 | V | A | 0.0000 | |
| 1021 | I | A | 0.0000 | |
| 1022 | S | A | 0.0000 | |
| 1023 | A | A | 0.0000 | |
| 1024 | V | A | 0.0000 | |
| 1025 | V | A | 0.0000 | |
| 1026 | L | A | 0.0000 | |
| 1027 | S | A | 0.0000 | |
| 1028 | A | A | 0.0000 | |
| 1029 | T | A | 0.0000 | |
| 1030 | A | A | 0.3264 | |
| 1031 | L | A | 0.7681 | |
| 1032 | G | A | 0.0000 | |
| 1033 | R | A | -0.1255 | |
| 1034 | A | A | 0.0000 | |
| 1035 | F | A | 0.7956 | |
| 1036 | S | A | 0.1152 | |
| 1037 | Y | A | 0.5129 | |
| 1038 | T | A | -0.1652 | |
| 1039 | P | A | -0.5060 | |
| 1040 | S | A | -0.5763 | |
| 1041 | Y | A | -0.2324 | |
| 1042 | A | A | -0.5243 | |
| 1043 | K | A | -1.2761 | |
| 1044 | A | A | 0.0000 | |
| 1045 | K | A | -0.7144 | |
| 1046 | I | A | -0.4911 | |
| 1047 | S | A | 0.0000 | |
| 1048 | A | A | 0.0000 | |
| 1049 | A | A | -1.0388 | |
| 1050 | R | A | -1.3705 | |
| 1051 | F | A | 0.0000 | |
| 1052 | F | A | 0.0000 | |
| 1053 | Q | A | -2.1411 | |
| 1054 | L | A | 0.0000 | |
| 1055 | L | A | -1.3680 | |
| 1056 | D | A | -2.6093 | |
| 1057 | R | A | -2.3026 | |
| 1058 | Q | A | -2.0752 | |
| 1059 | P | A | -1.1837 | |
| 1060 | P | A | -0.7273 | |
| 1061 | I | A | 0.0000 | |
| 1062 | S | A | -0.4126 | |
| 1063 | V | A | 0.0882 | |
| 1064 | Y | A | 0.3069 | |
| 1065 | N | A | -0.8882 | |
| 1066 | T | A | -0.5379 | |
| 1067 | A | A | -0.8013 | |
| 1068 | G | A | -1.6779 | |
| 1069 | E | A | -2.5083 | |
| 1070 | K | A | -2.8028 | |
| 1071 | W | A | -2.3022 | |
| 1072 | D | A | -2.9260 | |
| 1073 | N | A | -2.4488 | |
| 1074 | F | A | -1.8993 | |
| 1075 | Q | A | -1.8788 | |
| 1076 | G | A | 0.0000 | |
| 1077 | K | A | -2.0869 | |
| 1078 | I | A | 0.0000 | |
| 1079 | D | A | -0.8514 | |
| 1080 | F | A | 0.0000 | |
| 1081 | V | A | -0.2387 | |
| 1082 | D | A | -1.0038 | |
| 1083 | C | A | 0.0000 | |
| 1084 | K | A | -1.5385 | |
| 1085 | F | A | 0.0000 | |
| 1086 | T | A | -1.4169 | |
| 1087 | Y | A | -1.4216 | |
| 1088 | P | A | -1.6263 | |
| 1089 | S | A | -1.6507 | |
| 1090 | R | A | -2.7379 | |
| 1091 | P | A | -2.2830 | |
| 1092 | D | A | -2.6111 | |
| 1093 | S | A | -1.6865 | |
| 1094 | Q | A | -1.5129 | |
| 1095 | V | A | -0.3341 | |
| 1096 | L | A | -0.2769 | |
| 1097 | N | A | -0.8950 | |
| 1098 | G | A | 0.0000 | |
| 1099 | L | A | 0.0836 | |
| 1100 | S | A | 0.0374 | |
| 1101 | V | A | 0.0000 | |
| 1102 | S | A | -0.5702 | |
| 1103 | I | A | 0.0000 | |
| 1104 | S | A | -1.1281 | |
| 1105 | P | A | -1.4641 | |
| 1106 | G | A | -1.7501 | |
| 1107 | Q | A | -1.3720 | |
| 1108 | T | A | 0.0000 | |
| 1109 | L | A | 0.0000 | |
| 1110 | A | A | 0.0000 | |
| 1111 | F | A | 0.0000 | |
| 1112 | V | A | 0.0000 | |
| 1113 | G | A | -0.4846 | |
| 1114 | S | A | 0.0000 | |
| 1115 | S | A | -0.5038 | |
| 1116 | G | A | -0.2951 | |
| 1117 | C | A | -0.0360 | |
| 1118 | G | A | -0.1827 | |
| 1119 | K | A | -0.4242 | |
| 1120 | S | A | -0.3866 | |
| 1121 | T | A | 0.0000 | |
| 1122 | S | A | 0.0000 | |
| 1123 | I | A | 0.0000 | |
| 1124 | Q | A | -0.3690 | |
| 1125 | L | A | 0.0000 | |
| 1126 | L | A | 0.0000 | |
| 1127 | E | A | 0.0000 | |
| 1128 | R | A | 0.0000 | |
| 1129 | F | A | 0.0000 | |
| 1130 | Y | A | 0.0000 | |
| 1131 | D | A | -1.3893 | |
| 1132 | P | A | 0.0000 | |
| 1133 | D | A | -2.6004 | |
| 1134 | Q | A | -2.6030 | |
| 1135 | G | A | -1.7095 | |
| 1136 | K | A | -1.5177 | |
| 1137 | V | A | 0.0000 | |
| 1138 | M | A | -0.8583 | |
| 1139 | I | A | 0.0000 | |
| 1140 | D | A | -1.4850 | |
| 1141 | G | A | -1.0380 | |
| 1142 | H | A | -1.4958 | |
| 1143 | D | A | -1.5446 | |
| 1144 | S | A | 0.0000 | |
| 1145 | K | A | -1.9743 | |
| 1146 | K | A | -2.4482 | |
| 1147 | V | A | 0.0000 | |
| 1148 | N | A | 0.0000 | |
| 1149 | V | A | 0.0000 | |
| 1150 | Q | A | -0.6242 | |
| 1151 | F | A | -0.5903 | |
| 1152 | L | A | 0.0000 | |
| 1153 | R | A | 0.0000 | |
| 1154 | S | A | -0.3983 | |
| 1155 | N | A | -0.7296 | |
| 1156 | I | A | 0.0000 | |
| 1157 | G | A | 0.0000 | |
| 1158 | I | A | 0.1171 | |
| 1159 | V | A | 0.0000 | |
| 1160 | S | A | -1.1161 | |
| 1161 | Q | A | -1.8528 | |
| 1162 | E | A | -2.2272 | |
| 1163 | P | A | 0.0000 | |
| 1164 | V | A | -0.0127 | |
| 1165 | L | A | 0.1275 | |
| 1166 | F | A | 0.0000 | |
| 1167 | A | A | -0.4624 | |
| 1168 | C | A | -0.5779 | |
| 1169 | S | A | -1.4879 | |
| 1170 | I | A | 0.0000 | |
| 1171 | M | A | -0.8019 | |
| 1172 | D | A | -1.1434 | |
| 1173 | N | A | 0.0000 | |
| 1174 | I | A | 0.0000 | |
| 1175 | K | A | -1.5246 | |
| 1176 | Y | A | 0.0000 | |
| 1177 | G | A | 0.0000 | |
| 1178 | D | A | -1.6525 | |
| 1179 | N | A | -2.1091 | |
| 1180 | T | A | -1.9114 | |
| 1181 | K | A | -2.8670 | |
| 1182 | E | A | -2.8717 | |
| 1183 | I | A | 0.0000 | |
| 1184 | P | A | -1.4793 | |
| 1185 | M | A | -0.9973 | |
| 1186 | E | A | -1.8456 | |
| 1187 | R | A | -1.7691 | |
| 1188 | V | A | 0.0000 | |
| 1189 | I | A | -0.8067 | |
| 1190 | A | A | -1.2644 | |
| 1191 | A | A | 0.0000 | |
| 1192 | A | A | 0.0000 | |
| 1193 | K | A | -2.6709 | |
| 1194 | Q | A | -2.3355 | |
| 1195 | A | A | 0.0000 | |
| 1196 | Q | A | -1.8120 | |
| 1197 | L | A | 0.0000 | |
| 1198 | H | A | -1.9086 | |
| 1199 | D | A | -2.1719 | |
| 1200 | F | A | -1.0050 | |
| 1201 | V | A | 0.0000 | |
| 1202 | M | A | -1.1869 | |
| 1203 | S | A | -0.9679 | |
| 1204 | L | A | -1.2332 | |
| 1205 | P | A | -1.5583 | |
| 1206 | E | A | -2.9896 | |
| 1207 | K | A | -2.7649 | |
| 1208 | Y | A | 0.0000 | |
| 1209 | E | A | -2.8638 | |
| 1210 | T | A | 0.0000 | |
| 1211 | N | A | -2.0056 | |
| 1212 | V | A | 0.0000 | |
| 1213 | G | A | -1.2423 | |
| 1214 | S | A | -1.3860 | |
| 1215 | Q | A | -1.9963 | |
| 1216 | G | A | -1.6486 | |
| 1217 | S | A | -1.4629 | |
| 1218 | Q | A | -1.6802 | |
| 1219 | L | A | -0.8662 | |
| 1220 | S | A | -0.6671 | |
| 1221 | R | A | -1.1281 | |
| 1222 | G | A | 0.0000 | |
| 1223 | E | A | -0.8889 | |
| 1224 | K | A | -1.0424 | |
| 1225 | Q | A | 0.0000 | |
| 1226 | R | A | -0.7721 | |
| 1227 | I | A | 0.0000 | |
| 1228 | A | A | 0.0000 | |
| 1229 | I | A | 0.0000 | |
| 1230 | A | A | 0.0000 | |
| 1231 | R | A | 0.0000 | |
| 1232 | A | A | 0.0000 | |
| 1233 | I | A | 0.0000 | |
| 1234 | V | A | 0.0000 | |
| 1235 | R | A | -1.4813 | |
| 1236 | D | A | -2.1909 | |
| 1237 | P | A | 0.0000 | |
| 1238 | K | A | -1.6279 | |
| 1239 | I | A | 0.0000 | |
| 1240 | L | A | 0.0000 | |
| 1241 | L | A | 0.0000 | |
| 1242 | L | A | 0.0000 | |
| 1243 | D | A | -1.0191 | |
| 1244 | E | A | -1.4776 | |
| 1245 | A | A | 0.0000 | |
| 1246 | T | A | 0.0000 | |
| 1247 | S | A | -0.7398 | |
| 1248 | A | A | 0.0000 | |
| 1249 | L | A | 0.7788 | |
| 1250 | D | A | -1.0360 | |
| 1251 | T | A | -1.4599 | |
| 1252 | E | A | -2.5631 | |
| 1253 | S | A | -1.7160 | |
| 1254 | E | A | 0.0000 | |
| 1255 | K | A | -2.3055 | |
| 1256 | T | A | -1.3191 | |
| 1257 | V | A | 0.0000 | |
| 1258 | Q | A | -1.1527 | |
| 1259 | V | A | -0.6297 | |
| 1260 | A | A | 0.0000 | |
| 1261 | L | A | 0.0000 | |
| 1262 | D | A | -2.6905 | |
| 1263 | K | A | -3.2704 | |
| 1264 | A | A | 0.0000 | |
| 1265 | R | A | -2.5702 | |
| 1266 | E | A | -3.2492 | |
| 1267 | G | A | -2.0550 | |
| 1268 | R | A | -1.8981 | |
| 1269 | T | A | 0.0000 | |
| 1270 | C | A | 0.0000 | |
| 1271 | I | A | 0.0000 | |
| 1272 | V | A | 0.0000 | |
| 1273 | I | A | 0.0000 | |
| 1274 | A | A | 0.0000 | |
| 1275 | H | A | -1.1983 | |
| 1276 | R | A | -0.8114 | |
| 1277 | L | A | 0.8171 | |
| 1278 | S | A | 0.2156 | |
| 1279 | T | A | -0.0993 | |
| 1280 | I | A | -0.3957 | |
| 1281 | Q | A | 0.0000 | |
| 1282 | N | A | -1.4368 | |
| 1283 | A | A | -1.1400 | |
| 1284 | D | A | -0.9394 | |
| 1285 | I | A | -0.8393 | |
| 1286 | I | A | 0.0000 | |
| 1287 | A | A | 0.0000 | |
| 1288 | V | A | 0.0000 | |
| 1289 | M | A | 0.3054 | |
| 1290 | A | A | -0.1218 | |
| 1291 | Q | A | -0.6370 | |
| 1292 | G | A | -0.0695 | |
| 1293 | V | A | 0.7740 | |
| 1294 | V | A | 0.9445 | |
| 1295 | I | A | 1.8510 | |
| 1296 | E | A | 0.3925 | |
| 1297 | K | A | -0.6935 | |
| 1298 | G | A | 0.0000 | |
| 1299 | T | A | -1.4429 | |
| 1300 | H | A | -1.9103 | |
| 1301 | E | A | -2.7474 | |
| 1302 | E | A | -2.5798 | |
| 1303 | L | A | 0.0000 | |
| 1304 | M | A | -1.6585 | |
| 1305 | A | A | -1.8881 | |
| 1306 | Q | A | -2.4411 | |
| 1307 | K | A | -2.4289 | |
| 1308 | G | A | -1.4605 | |
| 1309 | A | A | -0.7144 | |
| 1310 | Y | A | 0.0000 | |
| 1311 | Y | A | -0.0937 | |
| 1312 | K | A | -0.5021 | |
| 1313 | L | A | 0.8278 | |
| 1314 | V | A | 1.7945 | |
| 1315 | T | A | 0.5337 |
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 | -0.2149 | 6.4791 | View | CSV | PDB |
| 4.5 | -0.2639 | 6.4791 | View | CSV | PDB |
| 5.0 | -0.3243 | 6.4791 | View | CSV | PDB |
| 5.5 | -0.3854 | 6.4791 | View | CSV | PDB |
| 6.0 | -0.4356 | 6.4791 | View | CSV | PDB |
| 6.5 | -0.4663 | 6.4791 | View | CSV | PDB |
| 7.0 | -0.476 | 6.4791 | View | CSV | PDB |
| 7.5 | -0.4701 | 6.4791 | View | CSV | PDB |
| 8.0 | -0.455 | 6.4791 | View | CSV | PDB |
| 8.5 | -0.4331 | 6.4791 | View | CSV | PDB |
| 9.0 | -0.404 | 6.4791 | 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