| Chain sequence(s) |
A: PCIEVVPNITYQCMQKLSKVPDDIPSSTKNIDLSFNPLKILKSYSFSNFSELQWLDLSRCEIETIEDKAWHGLHHLSNLILTGNPIQSFSPGSFSGLTSLENLVAVETKLASLESFPIGQLITLKKLNVAHNFIHSCKLPAYFSNLTNLVHVDLSYNYIQTITVNDLQFLRENPQVNLSLDMSLNPIDFIQDQAFQGIKLHELTLRGNFNSSNIMKTCLQNLAGLHVHRLILGEFKDERNLEIFEPSIMEGLCDVTIDEFRLTYTNDFSDDIVKFHCLANVSAMSLAGVSIKYLEDVPKHFKWQSLSIIRCQLKQFPTLDLPFLKSLTLTMNKGSISFKKVALPSLSYLDLSRNALSFSGCCSYSDLGTNSLRHLDLSFNGAIIMSANFMGLEELQHLDFQHSTLKRVTEFSAFLSLEKLLYLDISYTNTKIDFDGIFLGLTSLNTLKMAGNSFKDNTLSNVFANTTNLTFLDLSKCQLEQISWGVFDTLHRLQLLNMSHNNLLFLDSSHYNQLYSLSTLDCSFNRIETSKGILQHFPKSLAFFNLTNNSVACICEHQKFLQWVKEQKQFLVNVEQMTCATPVEMNTSLVLDFNNSTC
B: MAKLSTDELLDAFKEMTLLELSDFVKKFEETFEVTAAAPVAVAAAGAAPAGAAVEAAEEQSEFDVILEAAGDKKIGVIKVVREIVSGLGLKEAKDLVDGAPKPLLEKVAKEAADEAKAKLEAAGATVTVKEAAAKGRKKRRQRRRPQGGGSAKFVAAWTLKAAAGGGSILYDSNEHIAAYISFFIPPIKAAYRMRKDTSVKAAYTYLILPEKFAAYILVYIFSEKAAYKPTESGPKVAAYFTSYAAFVVAAYSPKRKKTVVAAYETKLKEKLLSKLIYGLLISPTVNEKENGPGPGNFTPKDYFPNSSLITNDKKIVITFDKKNFVTYIDGPGPGLKDIEQYVLQVNLKAPKLMMSGPGPGKPINIEHILPGAITTDIYDTGPGPGEEKDLESILPGAIVSPMKVLKGPGPGALEGVLFMKSKVTGDETATGPGPGTSKDNYEAAKVNISENDNEGPGPGVSISLALKGVYGNRIFTFDGPGPGGIYNLSKEIRMRKDTSVKIKKKGEEVGEEEGEYVDEKERQGEIYKKALLLDDEERQKKIKQQQEEEQQEQILKDQDDKKKKNVTNDHVVSSDMHKKVGVDELDKIDLSYETKKNPDEKDNTYTYLILPKKNFLLTFLKRCLMKIFSKKLEVLFQGPHHHHHHHHHH input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:32)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a2c258991c69f58/tmp/folded.pdb (00:17:32)
[INFO] Main: Simulation completed successfully. (00:24:39)
|
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 |
|---|---|---|---|---|
| 27 | P | A | -0.4167 | |
| 28 | C | A | 0.4419 | |
| 29 | I | A | 1.6669 | |
| 30 | E | A | 0.0404 | |
| 31 | V | A | 1.6462 | |
| 32 | V | A | 0.9798 | |
| 33 | P | A | -0.0871 | |
| 34 | N | A | -0.9444 | |
| 35 | I | A | 0.0234 | |
| 36 | T | A | 0.3628 | |
| 37 | Y | A | 0.3848 | |
| 38 | Q | A | 0.5668 | |
| 39 | C | A | 0.0000 | |
| 40 | M | A | 0.9676 | |
| 42 | Q | A | -1.4039 | |
| 43 | K | A | -1.9733 | |
| 44 | L | A | -1.1603 | |
| 45 | S | A | -1.9008 | |
| 46 | K | A | -2.4595 | |
| 47 | V | A | -1.4525 | |
| 48 | P | A | -1.7287 | |
| 49 | D | A | -3.0054 | |
| 50 | D | A | -2.6161 | |
| 51 | I | A | -1.6220 | |
| 52 | P | A | -1.3583 | |
| 53 | S | A | -1.4937 | |
| 54 | S | A | -1.1369 | |
| 55 | T | A | 0.0000 | |
| 56 | K | A | -1.3157 | |
| 57 | N | A | -0.7247 | |
| 58 | I | A | 0.0000 | |
| 59 | D | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | S | A | 0.0000 | |
| 62 | F | A | 0.8595 | |
| 63 | N | A | 0.0000 | |
| 64 | P | A | -1.7305 | |
| 65 | L | A | 0.0000 | |
| 66 | K | A | -3.2409 | |
| 67 | I | A | -1.8356 | |
| 68 | L | A | 0.0000 | |
| 69 | K | A | -2.3756 | |
| 70 | S | A | -1.6718 | |
| 71 | Y | A | -0.9029 | |
| 72 | S | A | -1.2830 | |
| 73 | F | A | 0.0000 | |
| 74 | S | A | -0.9699 | |
| 75 | N | A | -1.8274 | |
| 76 | F | A | 0.0000 | |
| 77 | S | A | -1.7048 | |
| 78 | E | A | -2.1005 | |
| 79 | L | A | 0.0000 | |
| 80 | Q | A | -1.5287 | |
| 81 | W | A | -0.6862 | |
| 82 | L | A | 0.0000 | |
| 83 | D | A | 0.0706 | |
| 84 | L | A | 0.0000 | |
| 85 | S | A | -0.3666 | |
| 86 | R | A | -1.4958 | |
| 87 | C | A | 0.0000 | |
| 88 | E | A | -3.0161 | |
| 89 | I | A | 0.0000 | |
| 90 | E | A | -2.8734 | |
| 91 | T | A | -1.9289 | |
| 92 | I | A | -1.4880 | |
| 93 | E | A | -1.9198 | |
| 94 | D | A | -2.9604 | |
| 95 | K | A | -2.5966 | |
| 96 | A | A | 0.0000 | |
| 97 | W | A | 0.0000 | |
| 98 | H | A | -1.5612 | |
| 99 | G | A | -1.2676 | |
| 100 | L | A | 0.0000 | |
| 101 | H | A | -1.3762 | |
| 102 | H | A | -1.5999 | |
| 103 | L | A | 0.0000 | |
| 104 | S | A | -1.1975 | |
| 105 | N | A | -0.9219 | |
| 106 | L | A | 0.0000 | |
| 107 | I | A | 0.1215 | |
| 108 | L | A | 0.0000 | |
| 109 | T | A | -0.5570 | |
| 110 | G | A | 0.0000 | |
| 111 | N | A | 0.0000 | |
| 112 | P | A | -2.3402 | |
| 113 | I | A | 0.0000 | |
| 114 | Q | A | -1.7532 | |
| 115 | S | A | -1.1357 | |
| 116 | F | A | 0.0000 | |
| 117 | S | A | -0.8424 | |
| 118 | P | A | -0.7462 | |
| 119 | G | A | -1.2206 | |
| 120 | S | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | S | A | -1.3354 | |
| 123 | G | A | -1.1843 | |
| 124 | L | A | 0.0000 | |
| 125 | T | A | -0.4682 | |
| 126 | S | A | -0.6708 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -1.7294 | |
| 129 | N | A | -1.2750 | |
| 130 | L | A | 0.0000 | |
| 131 | V | A | -0.0503 | |
| 132 | A | A | 0.0000 | |
| 133 | V | A | -0.4519 | |
| 134 | E | A | -1.4135 | |
| 135 | T | A | 0.0000 | |
| 136 | K | A | -1.4385 | |
| 137 | L | A | 0.0000 | |
| 138 | A | A | -0.5502 | |
| 139 | S | A | -1.0499 | |
| 140 | L | A | 0.0000 | |
| 141 | E | A | -1.9836 | |
| 142 | S | A | -1.2250 | |
| 143 | F | A | 0.0000 | |
| 144 | P | A | -0.8240 | |
| 145 | I | A | 0.0000 | |
| 146 | G | A | -0.7492 | |
| 147 | Q | A | -0.8935 | |
| 148 | L | A | 0.0000 | |
| 149 | I | A | 0.7396 | |
| 150 | T | A | -0.3942 | |
| 151 | L | A | 0.0000 | |
| 152 | K | A | -1.5656 | |
| 153 | K | A | -1.5789 | |
| 154 | L | A | 0.0000 | |
| 155 | N | A | -0.4414 | |
| 156 | V | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | H | A | -0.5227 | |
| 159 | N | A | 0.0000 | |
| 160 | F | A | 0.1082 | |
| 161 | I | A | 0.0000 | |
| 162 | H | A | -0.7600 | |
| 163 | S | A | -0.8280 | |
| 164 | C | A | 0.0000 | |
| 165 | K | A | -1.1255 | |
| 166 | L | A | 0.0000 | |
| 167 | P | A | 0.0000 | |
| 168 | A | A | -0.4488 | |
| 169 | Y | A | -0.6001 | |
| 170 | F | A | 0.0000 | |
| 171 | S | A | -0.4775 | |
| 172 | N | A | -0.9772 | |
| 173 | L | A | 0.0000 | |
| 174 | T | A | -0.5604 | |
| 175 | N | A | -1.3515 | |
| 176 | L | A | 0.0000 | |
| 177 | V | A | -0.6725 | |
| 178 | H | A | -1.0010 | |
| 179 | V | A | 0.0000 | |
| 180 | D | A | -0.5709 | |
| 181 | L | A | 0.0000 | |
| 182 | S | A | 0.1439 | |
| 183 | Y | A | 0.6593 | |
| 184 | N | A | 0.0000 | |
| 185 | Y | A | 0.4541 | |
| 186 | I | A | 0.0000 | |
| 187 | Q | A | -0.9336 | |
| 188 | T | A | -0.4593 | |
| 189 | I | A | 0.0000 | |
| 190 | T | A | -0.6039 | |
| 191 | V | A | -0.8786 | |
| 192 | N | A | -1.2499 | |
| 193 | D | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | Q | A | -1.5348 | |
| 196 | F | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | R | A | -2.1257 | |
| 199 | E | A | -2.4587 | |
| 200 | N | A | -2.0013 | |
| 201 | P | A | -2.0432 | |
| 202 | Q | A | -1.9996 | |
| 203 | V | A | -1.4776 | |
| 204 | N | A | -1.8404 | |
| 205 | L | A | 0.0000 | |
| 206 | S | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | D | A | -0.4548 | |
| 209 | M | A | 0.0000 | |
| 210 | S | A | 0.0000 | |
| 211 | L | A | 0.3008 | |
| 212 | N | A | 0.0000 | |
| 213 | P | A | -0.6363 | |
| 214 | I | A | 0.0000 | |
| 215 | D | A | -1.4200 | |
| 216 | F | A | 0.1997 | |
| 217 | I | A | 0.0000 | |
| 218 | Q | A | -1.1201 | |
| 219 | D | A | -2.4334 | |
| 220 | Q | A | -2.3230 | |
| 221 | A | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | Q | A | -2.0818 | |
| 224 | G | A | -1.9408 | |
| 225 | I | A | 0.0000 | |
| 226 | K | A | -2.6859 | |
| 227 | L | A | 0.0000 | |
| 228 | H | A | -1.5809 | |
| 229 | E | A | -1.3178 | |
| 230 | L | A | 0.0000 | |
| 231 | T | A | -0.4292 | |
| 232 | L | A | 0.0000 | |
| 233 | R | A | -0.2055 | |
| 234 | G | A | 0.0000 | |
| 235 | N | A | 0.0000 | |
| 236 | F | A | 0.0000 | |
| 237 | N | A | -2.0387 | |
| 238 | S | A | -1.4446 | |
| 239 | S | A | -1.1650 | |
| 240 | N | A | -1.5510 | |
| 241 | I | A | -1.0241 | |
| 242 | M | A | 0.0000 | |
| 243 | K | A | -1.9771 | |
| 244 | T | A | -1.1830 | |
| 245 | C | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | Q | A | -2.1880 | |
| 248 | N | A | -1.7726 | |
| 249 | L | A | 0.0000 | |
| 250 | A | A | -1.6452 | |
| 251 | G | A | -1.6403 | |
| 252 | L | A | 0.0000 | |
| 253 | H | A | -1.8729 | |
| 254 | V | A | 0.0000 | |
| 255 | H | A | -1.8506 | |
| 256 | R | A | -1.4112 | |
| 257 | L | A | 0.0000 | |
| 258 | I | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | E | A | 0.0000 | |
| 262 | F | A | -0.6407 | |
| 263 | K | A | -2.0361 | |
| 264 | D | A | -1.0032 | |
| 265 | E | A | -1.0383 | |
| 266 | R | A | -1.9834 | |
| 267 | N | A | -1.7635 | |
| 268 | L | A | 0.0000 | |
| 269 | E | A | -1.7999 | |
| 270 | I | A | 0.1868 | |
| 271 | F | A | 0.0000 | |
| 272 | E | A | -0.5677 | |
| 273 | P | A | 0.0000 | |
| 274 | S | A | -0.8003 | |
| 275 | I | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | E | A | -2.1253 | |
| 278 | G | A | -1.7545 | |
| 279 | L | A | 0.0000 | |
| 280 | C | A | -1.4620 | |
| 281 | D | A | -2.4790 | |
| 282 | V | A | 0.0000 | |
| 283 | T | A | -1.1693 | |
| 284 | I | A | 0.0000 | |
| 285 | D | A | -0.7165 | |
| 286 | E | A | -1.0270 | |
| 287 | F | A | 0.0000 | |
| 288 | R | A | -0.9203 | |
| 289 | L | A | 0.0000 | |
| 290 | T | A | -0.1401 | |
| 291 | Y | A | -0.1285 | |
| 292 | T | A | 0.0000 | |
| 293 | N | A | -1.1434 | |
| 294 | D | A | -0.6390 | |
| 295 | F | A | -0.1387 | |
| 296 | S | A | -0.5278 | |
| 297 | D | A | -1.0140 | |
| 298 | D | A | -0.9570 | |
| 299 | I | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | K | A | -1.0320 | |
| 302 | F | A | -0.6166 | |
| 303 | H | A | -1.0985 | |
| 304 | C | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | A | A | -0.5074 | |
| 307 | N | A | -0.3199 | |
| 308 | V | A | 0.0000 | |
| 309 | S | A | -0.0078 | |
| 310 | A | A | -0.4256 | |
| 311 | M | A | 0.0000 | |
| 312 | S | A | -0.2667 | |
| 313 | L | A | 0.0000 | |
| 314 | A | A | -0.7940 | |
| 315 | G | A | -1.1124 | |
| 316 | V | A | 0.0000 | |
| 317 | S | A | -1.0289 | |
| 318 | I | A | 0.0000 | |
| 319 | K | A | -1.7406 | |
| 320 | Y | A | -0.9943 | |
| 321 | L | A | -0.5872 | |
| 322 | E | A | -0.1876 | |
| 323 | D | A | -1.4567 | |
| 324 | V | A | 0.0000 | |
| 325 | P | A | -1.0169 | |
| 326 | K | A | -1.3837 | |
| 327 | H | A | -1.3185 | |
| 328 | F | A | 0.0000 | |
| 329 | K | A | -0.2975 | |
| 330 | W | A | 0.0000 | |
| 331 | Q | A | -0.6719 | |
| 332 | S | A | -0.6302 | |
| 333 | L | A | 0.0000 | |
| 334 | S | A | -0.1923 | |
| 335 | I | A | 0.0000 | |
| 336 | I | A | -0.8154 | |
| 337 | R | A | -2.3355 | |
| 338 | C | A | 0.0000 | |
| 339 | Q | A | -2.9714 | |
| 340 | L | A | 0.0000 | |
| 341 | K | A | -2.7074 | |
| 342 | Q | A | -1.4669 | |
| 343 | F | A | 0.0000 | |
| 344 | P | A | 0.0000 | |
| 345 | T | A | -0.0756 | |
| 346 | L | A | -0.1838 | |
| 347 | D | A | -0.9505 | |
| 348 | L | A | 0.0000 | |
| 349 | P | A | -0.8478 | |
| 350 | F | A | -0.2744 | |
| 351 | L | A | 0.0000 | |
| 352 | K | A | -1.0650 | |
| 353 | S | A | -0.5436 | |
| 354 | L | A | 0.0000 | |
| 355 | T | A | 0.0395 | |
| 356 | L | A | 0.0000 | |
| 357 | T | A | -0.8560 | |
| 358 | M | A | -1.3657 | |
| 359 | N | A | -2.2985 | |
| 360 | K | A | -2.9353 | |
| 361 | G | A | -1.8712 | |
| 362 | S | A | -1.0219 | |
| 363 | I | A | 0.0000 | |
| 364 | S | A | -0.2171 | |
| 365 | F | A | -0.5259 | |
| 366 | K | A | -1.0861 | |
| 367 | K | A | -1.9693 | |
| 368 | V | A | 0.0000 | |
| 369 | A | A | -0.5473 | |
| 370 | L | A | 0.0000 | |
| 371 | P | A | -0.6374 | |
| 372 | S | A | -0.4730 | |
| 373 | L | A | 0.0000 | |
| 374 | S | A | -0.7860 | |
| 375 | Y | A | -0.2798 | |
| 376 | L | A | 0.0000 | |
| 377 | D | A | -0.3301 | |
| 378 | L | A | 0.0000 | |
| 379 | S | A | 0.0000 | |
| 380 | R | A | -1.0676 | |
| 381 | N | A | -0.8646 | |
| 382 | A | A | -0.5614 | |
| 383 | L | A | 0.0000 | |
| 384 | S | A | -0.1378 | |
| 385 | F | A | 0.0000 | |
| 386 | S | A | -0.1818 | |
| 387 | G | A | -0.4544 | |
| 388 | C | A | 0.0000 | |
| 389 | C | A | 0.0000 | |
| 390 | S | A | 0.4830 | |
| 391 | Y | A | 0.9999 | |
| 392 | S | A | -0.0335 | |
| 393 | D | A | -0.5823 | |
| 394 | L | A | 0.0000 | |
| 395 | G | A | -0.3032 | |
| 396 | T | A | 0.0000 | |
| 397 | N | A | -0.8315 | |
| 398 | S | A | -1.0109 | |
| 399 | L | A | 0.0000 | |
| 400 | R | A | -1.9471 | |
| 401 | H | A | -0.9361 | |
| 402 | L | A | 0.0000 | |
| 403 | D | A | -0.4768 | |
| 404 | L | A | 0.0000 | |
| 405 | S | A | 0.0000 | |
| 406 | F | A | 0.1061 | |
| 407 | N | A | -0.3317 | |
| 408 | G | A | -0.2711 | |
| 409 | A | A | -0.1313 | |
| 410 | I | A | 0.0000 | |
| 411 | I | A | -0.6782 | |
| 412 | M | A | 0.0000 | |
| 413 | S | A | -0.7839 | |
| 414 | A | A | 0.2962 | |
| 415 | N | A | 0.2283 | |
| 416 | F | A | 0.0000 | |
| 417 | M | A | 1.0241 | |
| 418 | G | A | 0.3301 | |
| 419 | L | A | 0.0000 | |
| 420 | E | A | -1.4449 | |
| 421 | E | A | -2.0595 | |
| 422 | L | A | 0.0000 | |
| 423 | Q | A | -1.3193 | |
| 424 | H | A | -0.6973 | |
| 425 | L | A | 0.0000 | |
| 426 | D | A | 0.0000 | |
| 427 | F | A | 0.0000 | |
| 428 | Q | A | -0.3743 | |
| 429 | H | A | -0.5320 | |
| 430 | S | A | 0.0000 | |
| 431 | T | A | -0.5330 | |
| 432 | L | A | 0.0000 | |
| 433 | K | A | -2.0636 | |
| 434 | R | A | -2.6393 | |
| 435 | V | A | 0.0000 | |
| 436 | T | A | -1.9340 | |
| 437 | E | A | -2.1069 | |
| 438 | F | A | -0.4482 | |
| 439 | S | A | 0.0227 | |
| 440 | A | A | 0.0000 | |
| 441 | F | A | 0.0000 | |
| 442 | L | A | 0.8616 | |
| 443 | S | A | -0.2005 | |
| 444 | L | A | 0.0000 | |
| 445 | E | A | -1.8748 | |
| 446 | K | A | -1.9304 | |
| 447 | L | A | 0.0000 | |
| 448 | L | A | 0.1524 | |
| 449 | Y | A | 0.2591 | |
| 450 | L | A | 0.0000 | |
| 451 | D | A | 0.0000 | |
| 452 | I | A | 0.0000 | |
| 453 | S | A | 0.0000 | |
| 454 | Y | A | -0.1719 | |
| 455 | T | A | 0.0000 | |
| 456 | N | A | -1.6845 | |
| 457 | T | A | 0.0000 | |
| 458 | K | A | -2.2971 | |
| 459 | I | A | 0.0000 | |
| 460 | D | A | -1.9348 | |
| 461 | F | A | -1.1155 | |
| 462 | D | A | -1.7478 | |
| 463 | G | A | -0.6987 | |
| 464 | I | A | 0.0000 | |
| 465 | F | A | 0.0000 | |
| 466 | L | A | 0.3427 | |
| 467 | G | A | -0.1427 | |
| 468 | L | A | 0.0000 | |
| 469 | T | A | -0.7900 | |
| 470 | S | A | -0.8589 | |
| 471 | L | A | 0.0000 | |
| 472 | N | A | -0.3612 | |
| 473 | T | A | 0.1727 | |
| 474 | L | A | 0.0000 | |
| 475 | K | A | -0.4201 | |
| 476 | M | A | 0.0000 | |
| 477 | A | A | 0.0000 | |
| 478 | G | A | -1.0030 | |
| 479 | N | A | 0.0000 | |
| 480 | S | A | -1.9160 | |
| 481 | F | A | 0.0000 | |
| 482 | K | A | -2.1969 | |
| 483 | D | A | -2.9060 | |
| 484 | N | A | -2.5328 | |
| 485 | T | A | -1.7413 | |
| 486 | L | A | 0.0000 | |
| 487 | S | A | 0.0000 | |
| 488 | N | A | -1.3184 | |
| 489 | V | A | 0.0000 | |
| 490 | F | A | 0.0000 | |
| 491 | A | A | -1.1101 | |
| 492 | N | A | -0.9644 | |
| 493 | T | A | 0.0000 | |
| 494 | T | A | -1.3622 | |
| 495 | N | A | -1.0714 | |
| 496 | L | A | 0.0000 | |
| 497 | T | A | -0.8629 | |
| 498 | F | A | -0.0085 | |
| 499 | L | A | 0.0000 | |
| 500 | D | A | -0.4501 | |
| 501 | L | A | 0.0000 | |
| 502 | S | A | -1.1458 | |
| 503 | K | A | -1.8692 | |
| 504 | C | A | 0.0000 | |
| 505 | Q | A | -2.6753 | |
| 506 | L | A | 0.0000 | |
| 507 | E | A | -2.5378 | |
| 508 | Q | A | -1.3894 | |
| 509 | I | A | -0.2010 | |
| 510 | S | A | 0.2339 | |
| 511 | W | A | 0.5686 | |
| 512 | G | A | -0.6331 | |
| 513 | V | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | D | A | -2.0398 | |
| 516 | T | A | -1.7888 | |
| 517 | L | A | 0.0000 | |
| 518 | H | A | -2.0129 | |
| 519 | R | A | -2.1687 | |
| 520 | L | A | 0.0000 | |
| 521 | Q | A | -1.2119 | |
| 522 | L | A | -0.2631 | |
| 523 | L | A | 0.0000 | |
| 524 | N | A | -0.5293 | |
| 525 | M | A | 0.0000 | |
| 526 | S | A | 0.0000 | |
| 527 | H | A | -1.5644 | |
| 528 | N | A | 0.0000 | |
| 529 | N | A | -2.0408 | |
| 530 | L | A | 0.0000 | |
| 531 | L | A | -0.3793 | |
| 532 | F | A | 0.0669 | |
| 533 | L | A | 0.0000 | |
| 534 | D | A | 0.0000 | |
| 535 | S | A | 0.0000 | |
| 536 | S | A | -0.6535 | |
| 537 | H | A | -0.4823 | |
| 538 | Y | A | 0.0000 | |
| 539 | N | A | -1.1366 | |
| 540 | Q | A | -1.3942 | |
| 541 | L | A | 0.0000 | |
| 542 | Y | A | -0.0610 | |
| 543 | S | A | -0.8613 | |
| 544 | L | A | 0.0000 | |
| 545 | S | A | -0.1835 | |
| 546 | T | A | 0.1464 | |
| 547 | L | A | 0.0000 | |
| 548 | D | A | -0.0674 | |
| 549 | C | A | 0.0000 | |
| 550 | S | A | 0.0000 | |
| 551 | F | A | -0.2170 | |
| 552 | N | A | -1.4345 | |
| 553 | R | A | -2.1438 | |
| 554 | I | A | 0.0000 | |
| 555 | E | A | -0.7674 | |
| 556 | T | A | 0.0000 | |
| 557 | S | A | -0.6817 | |
| 558 | K | A | -1.4525 | |
| 559 | G | A | -0.5380 | |
| 560 | I | A | 0.2477 | |
| 561 | L | A | 0.0000 | |
| 562 | Q | A | -1.2083 | |
| 563 | H | A | -1.1213 | |
| 564 | F | A | 0.0000 | |
| 565 | P | A | 0.0000 | |
| 566 | K | A | -1.7507 | |
| 567 | S | A | -0.6232 | |
| 568 | L | A | 0.0000 | |
| 569 | A | A | 0.2998 | |
| 570 | F | A | 1.2107 | |
| 571 | F | A | 0.0000 | |
| 572 | N | A | 0.0810 | |
| 573 | L | A | 0.0000 | |
| 574 | T | A | -0.7764 | |
| 575 | N | A | -1.4667 | |
| 576 | N | A | -1.2141 | |
| 577 | S | A | -1.0168 | |
| 578 | V | A | 0.0000 | |
| 579 | A | A | 0.0000 | |
| 580 | C | A | 0.0541 | |
| 581 | I | A | 0.2495 | |
| 582 | C | A | -0.7346 | |
| 583 | E | A | -1.8498 | |
| 584 | H | A | -1.9954 | |
| 585 | Q | A | -1.9529 | |
| 586 | K | A | -2.7323 | |
| 587 | F | A | 0.0000 | |
| 588 | L | A | 0.0000 | |
| 589 | Q | A | -2.5094 | |
| 590 | W | A | 0.0000 | |
| 591 | V | A | 0.0000 | |
| 592 | K | A | -2.1483 | |
| 593 | E | A | -2.9101 | |
| 594 | Q | A | -2.0606 | |
| 595 | K | A | -2.5335 | |
| 596 | Q | A | -1.6163 | |
| 597 | F | A | -0.1918 | |
| 598 | L | A | 0.0000 | |
| 599 | V | A | -0.4245 | |
| 600 | N | A | -1.8045 | |
| 601 | V | A | 0.0000 | |
| 602 | E | A | -2.4252 | |
| 603 | Q | A | -2.4234 | |
| 604 | M | A | 0.0000 | |
| 605 | T | A | -0.7065 | |
| 606 | C | A | 0.0000 | |
| 607 | A | A | 0.2627 | |
| 608 | T | A | 0.4615 | |
| 609 | P | A | 0.7358 | |
| 610 | V | A | 1.5410 | |
| 611 | E | A | 0.5729 | |
| 612 | M | A | 0.6307 | |
| 613 | N | A | -0.6511 | |
| 614 | T | A | 0.1245 | |
| 615 | S | A | -0.3483 | |
| 616 | L | A | 0.0000 | |
| 617 | V | A | 0.1625 | |
| 618 | L | A | 1.6334 | |
| 619 | D | A | 0.8956 | |
| 620 | F | A | 1.3678 | |
| 621 | N | A | -0.6109 | |
| 622 | N | A | -1.1320 | |
| 623 | S | A | -0.4426 | |
| 624 | T | A | -0.3728 | |
| 625 | C | A | -0.0937 | |
| 1 | M | B | 0.9648 | |
| 2 | A | B | 0.3851 | |
| 3 | K | B | 0.0000 | |
| 4 | L | B | -0.3397 | |
| 5 | S | B | 0.0000 | |
| 6 | T | B | -1.7848 | |
| 7 | D | B | -2.8291 | |
| 8 | E | B | -2.4696 | |
| 9 | L | B | -1.0855 | |
| 10 | L | B | -1.3847 | |
| 11 | D | B | -2.9131 | |
| 12 | A | B | -1.7787 | |
| 13 | F | B | -1.0037 | |
| 14 | K | B | -2.2891 | |
| 15 | E | B | -2.5485 | |
| 16 | M | B | -0.8106 | |
| 17 | T | B | 0.1828 | |
| 18 | L | B | 1.6276 | |
| 19 | L | B | 1.5785 | |
| 20 | E | B | -0.0147 | |
| 21 | L | B | 0.6445 | |
| 22 | S | B | 0.3302 | |
| 23 | D | B | -0.6504 | |
| 24 | F | B | -0.0389 | |
| 25 | V | B | -0.3071 | |
| 26 | K | B | -2.4987 | |
| 27 | K | B | -2.9161 | |
| 28 | F | B | -1.7078 | |
| 29 | E | B | -2.7760 | |
| 30 | E | B | -3.5042 | |
| 31 | T | B | -2.2529 | |
| 32 | F | B | 0.0000 | |
| 33 | E | B | -2.6454 | |
| 34 | V | B | -1.7996 | |
| 35 | T | B | -0.8662 | |
| 36 | A | B | -0.1520 | |
| 37 | A | B | 0.3938 | |
| 38 | A | B | 0.1897 | |
| 39 | P | B | 0.2077 | |
| 40 | V | B | 1.6278 | |
| 41 | A | B | 0.9506 | |
| 42 | V | B | 1.1533 | |
| 43 | A | B | 0.0000 | |
| 44 | A | B | -0.1579 | |
| 45 | A | B | -0.5378 | |
| 46 | G | B | -0.6156 | |
| 47 | A | B | -0.1719 | |
| 48 | A | B | -0.2006 | |
| 49 | P | B | -0.3444 | |
| 50 | A | B | -0.4626 | |
| 51 | G | B | -0.2215 | |
| 52 | A | B | 0.0782 | |
| 53 | A | B | 0.3979 | |
| 54 | V | B | 0.8901 | |
| 55 | E | B | -1.1311 | |
| 56 | A | B | -1.0505 | |
| 57 | A | B | -1.5950 | |
| 58 | E | B | -3.1067 | |
| 59 | E | B | -3.1227 | |
| 60 | Q | B | -2.8032 | |
| 61 | S | B | -2.3300 | |
| 62 | E | B | -2.5869 | |
| 63 | F | B | -2.5784 | |
| 64 | D | B | 0.0000 | |
| 65 | V | B | 0.0000 | |
| 66 | I | B | -0.9872 | |
| 67 | L | B | 0.0000 | |
| 68 | E | B | -2.0858 | |
| 69 | A | B | -1.7052 | |
| 70 | A | B | 0.0000 | |
| 71 | G | B | -2.4849 | |
| 72 | D | B | -2.8538 | |
| 73 | K | B | -2.6015 | |
| 74 | K | B | -2.1935 | |
| 75 | I | B | 0.1772 | |
| 76 | G | B | -0.7912 | |
| 77 | V | B | 0.0000 | |
| 78 | I | B | -1.6793 | |
| 79 | K | B | -1.8442 | |
| 80 | V | B | -1.7309 | |
| 81 | V | B | 0.0000 | |
| 82 | R | B | -2.2556 | |
| 83 | E | B | -2.6163 | |
| 84 | I | B | -1.3470 | |
| 85 | V | B | -0.6412 | |
| 86 | S | B | -0.9220 | |
| 87 | G | B | -0.8076 | |
| 88 | L | B | -1.0101 | |
| 89 | G | B | -0.9260 | |
| 90 | L | B | -0.6899 | |
| 91 | K | B | -2.5040 | |
| 92 | E | B | -3.2017 | |
| 93 | A | B | 0.0000 | |
| 94 | K | B | -3.4105 | |
| 95 | D | B | -3.6480 | |
| 96 | L | B | -2.4342 | |
| 97 | V | B | 0.0000 | |
| 98 | D | B | -3.0726 | |
| 99 | G | B | -2.1687 | |
| 100 | A | B | -1.9037 | |
| 101 | P | B | -1.3914 | |
| 102 | K | B | -1.2830 | |
| 103 | P | B | -1.1656 | |
| 104 | L | B | 0.0000 | |
| 105 | L | B | -0.8424 | |
| 106 | E | B | -2.7928 | |
| 107 | K | B | -3.1047 | |
| 108 | V | B | -1.9572 | |
| 109 | A | B | -2.0106 | |
| 110 | K | B | -2.9075 | |
| 111 | E | B | -3.3492 | |
| 112 | A | B | -2.4332 | |
| 113 | A | B | 0.0000 | |
| 114 | D | B | -3.7610 | |
| 115 | E | B | -3.9090 | |
| 116 | A | B | 0.0000 | |
| 117 | K | B | -2.6754 | |
| 118 | A | B | -2.4678 | |
| 119 | K | B | -2.7770 | |
| 120 | L | B | 0.0000 | |
| 121 | E | B | -2.3619 | |
| 122 | A | B | -1.2897 | |
| 123 | A | B | -1.6947 | |
| 124 | G | B | -2.1627 | |
| 125 | A | B | 0.0000 | |
| 126 | T | B | -1.2312 | |
| 127 | V | B | 0.0000 | |
| 128 | T | B | -0.7987 | |
| 129 | V | B | -0.9963 | |
| 130 | K | B | -2.4777 | |
| 131 | E | B | -3.0805 | |
| 132 | A | B | 0.0000 | |
| 133 | A | B | -1.5172 | |
| 134 | A | B | -1.4911 | |
| 135 | K | B | -2.5929 | |
| 136 | G | B | -2.8198 | |
| 137 | R | B | -3.9618 | |
| 138 | K | B | -4.5317 | |
| 139 | K | B | -4.5862 | |
| 140 | R | B | -4.7938 | |
| 141 | R | B | -4.7391 | |
| 142 | Q | B | -4.3738 | |
| 143 | R | B | -4.5461 | |
| 144 | R | B | -4.3672 | |
| 145 | R | B | -3.8523 | |
| 146 | P | B | -2.5849 | |
| 147 | Q | B | -2.2570 | |
| 148 | G | B | -1.7031 | |
| 149 | G | B | -1.2389 | |
| 150 | G | B | -1.0776 | |
| 151 | S | B | -0.9305 | |
| 152 | A | B | -0.3690 | |
| 153 | K | B | -0.4220 | |
| 154 | F | B | 2.1718 | |
| 155 | V | B | 2.6531 | |
| 156 | A | B | 1.6032 | |
| 157 | A | B | 1.6105 | |
| 158 | W | B | 1.9446 | |
| 159 | T | B | 0.8221 | |
| 160 | L | B | 0.9668 | |
| 161 | K | B | -0.7512 | |
| 162 | A | B | -0.3507 | |
| 163 | A | B | -0.2330 | |
| 164 | A | B | -0.4091 | |
| 165 | G | B | -0.7401 | |
| 166 | G | B | -0.7452 | |
| 167 | G | B | -0.2338 | |
| 168 | S | B | 0.8047 | |
| 169 | I | B | 2.4410 | |
| 170 | L | B | 2.5359 | |
| 171 | Y | B | 1.5695 | |
| 172 | D | B | -0.9513 | |
| 173 | S | B | -1.8686 | |
| 174 | N | B | -2.4514 | |
| 175 | E | B | -2.5918 | |
| 176 | H | B | -0.9612 | |
| 177 | I | B | 1.3564 | |
| 178 | A | B | 0.7186 | |
| 179 | A | B | 1.4193 | |
| 180 | Y | B | 3.1370 | |
| 181 | I | B | 4.1696 | |
| 182 | S | B | 3.2915 | |
| 183 | F | B | 4.1145 | |
| 184 | F | B | 4.3252 | |
| 185 | I | B | 3.3664 | |
| 186 | P | B | 1.2764 | |
| 187 | P | B | 1.0680 | |
| 188 | I | B | 1.1206 | |
| 189 | K | B | -0.4475 | |
| 190 | A | B | -0.4145 | |
| 191 | A | B | -0.1481 | |
| 192 | Y | B | -0.2514 | |
| 193 | R | B | -2.0002 | |
| 194 | M | B | -1.4906 | |
| 195 | R | B | -2.9284 | |
| 196 | K | B | -3.3823 | |
| 197 | D | B | -2.8701 | |
| 198 | T | B | -1.3428 | |
| 199 | S | B | -0.3018 | |
| 200 | V | B | 0.6992 | |
| 201 | K | B | -0.6500 | |
| 202 | A | B | 0.1103 | |
| 203 | A | B | 0.9969 | |
| 204 | Y | B | 2.2275 | |
| 205 | T | B | 1.9017 | |
| 206 | Y | B | 3.2301 | |
| 207 | L | B | 3.8646 | |
| 208 | I | B | 3.7623 | |
| 209 | L | B | 2.7093 | |
| 210 | P | B | 0.4968 | |
| 211 | E | B | -1.0403 | |
| 212 | K | B | -0.5096 | |
| 213 | F | B | 1.6507 | |
| 214 | A | B | 1.3077 | |
| 215 | A | B | 1.5586 | |
| 216 | Y | B | 3.1671 | |
| 217 | I | B | 4.0938 | |
| 218 | L | B | 3.7354 | |
| 219 | V | B | 4.0664 | |
| 220 | Y | B | 3.3658 | |
| 221 | I | B | 2.5229 | |
| 222 | F | B | 2.1110 | |
| 223 | S | B | 0.3207 | |
| 224 | E | B | -1.2810 | |
| 225 | K | B | -1.5476 | |
| 226 | A | B | -0.8612 | |
| 227 | A | B | -0.6546 | |
| 228 | Y | B | -0.3181 | |
| 229 | K | B | -1.3774 | |
| 230 | P | B | -1.2089 | |
| 231 | T | B | -1.3372 | |
| 232 | E | B | -2.1714 | |
| 233 | S | B | -1.4459 | |
| 234 | G | B | -1.4274 | |
| 235 | P | B | -1.0491 | |
| 236 | K | B | -0.9783 | |
| 237 | V | B | 0.4795 | |
| 238 | A | B | 0.7837 | |
| 239 | A | B | 1.0536 | |
| 240 | Y | B | 2.3673 | |
| 241 | F | B | 3.0992 | |
| 242 | T | B | 1.9756 | |
| 243 | S | B | 2.0703 | |
| 244 | Y | B | 3.0099 | |
| 245 | A | B | 2.2182 | |
| 246 | A | B | 2.1703 | |
| 247 | F | B | 3.1236 | |
| 248 | V | B | 2.2780 | |
| 249 | V | B | 2.0203 | |
| 250 | A | B | 1.3708 | |
| 251 | A | B | 1.5080 | |
| 252 | Y | B | 1.5935 | |
| 253 | S | B | -0.1311 | |
| 254 | P | B | -1.3046 | |
| 255 | K | B | -2.4894 | |
| 256 | R | B | -2.0244 | |
| 257 | K | B | -2.0506 | |
| 258 | K | B | -2.2636 | |
| 259 | T | B | -0.8566 | |
| 260 | V | B | -0.1459 | |
| 261 | V | B | 0.2943 | |
| 262 | A | B | -0.2284 | |
| 263 | A | B | 0.0216 | |
| 264 | Y | B | 0.2559 | |
| 265 | E | B | -1.5276 | |
| 266 | T | B | -1.8587 | |
| 267 | K | B | -2.4244 | |
| 268 | L | B | -1.0158 | |
| 269 | K | B | -2.4974 | |
| 270 | E | B | -3.2055 | |
| 271 | K | B | -2.7023 | |
| 272 | L | B | -0.7806 | |
| 273 | L | B | 0.0532 | |
| 274 | S | B | -0.2558 | |
| 275 | K | B | -0.4866 | |
| 276 | L | B | 1.6005 | |
| 277 | I | B | 3.4634 | |
| 278 | Y | B | 3.2109 | |
| 279 | G | B | 2.4418 | |
| 280 | L | B | 3.5814 | |
| 281 | L | B | 3.8977 | |
| 282 | I | B | 3.4835 | |
| 283 | S | B | 1.7470 | |
| 284 | P | B | 0.5876 | |
| 285 | T | B | 0.3468 | |
| 286 | V | B | 0.4028 | |
| 287 | N | B | -1.9248 | |
| 288 | E | B | -3.4258 | |
| 289 | K | B | -3.8785 | |
| 290 | E | B | -3.9630 | |
| 291 | N | B | -3.0426 | |
| 292 | G | B | -1.7217 | |
| 293 | P | B | -1.0660 | |
| 294 | G | B | -1.2319 | |
| 295 | P | B | -0.8056 | |
| 296 | G | B | -0.8461 | |
| 297 | N | B | -0.7223 | |
| 298 | F | B | 0.8268 | |
| 299 | T | B | -0.3534 | |
| 300 | P | B | -0.7538 | |
| 301 | K | B | -1.7874 | |
| 302 | D | B | -1.5314 | |
| 303 | Y | B | 0.7526 | |
| 304 | F | B | 1.0914 | |
| 305 | P | B | -0.5545 | |
| 306 | N | B | -1.0901 | |
| 307 | S | B | 0.2089 | |
| 308 | S | B | 0.8772 | |
| 309 | L | B | 2.0963 | |
| 310 | I | B | 2.1552 | |
| 311 | T | B | 0.0843 | |
| 312 | N | B | -1.8836 | |
| 313 | D | B | -3.1440 | |
| 314 | K | B | -2.9296 | |
| 315 | K | B | -1.4531 | |
| 316 | I | B | 1.6253 | |
| 317 | V | B | 3.0632 | |
| 318 | I | B | 3.5837 | |
| 319 | T | B | 2.0889 | |
| 320 | F | B | 0.8936 | |
| 321 | D | B | -2.2081 | |
| 322 | K | B | -3.0482 | |
| 323 | K | B | -2.9748 | |
| 324 | N | B | -1.4715 | |
| 325 | F | B | 1.5653 | |
| 326 | V | B | 2.9768 | |
| 327 | T | B | 2.0864 | |
| 328 | Y | B | 2.5291 | |
| 329 | I | B | 1.8555 | |
| 330 | D | B | -0.7856 | |
| 331 | G | B | -1.1579 | |
| 332 | P | B | -1.2691 | |
| 333 | G | B | -0.9341 | |
| 334 | P | B | -0.6963 | |
| 335 | G | B | -0.3801 | |
| 336 | L | B | 0.0412 | |
| 337 | K | B | -1.7239 | |
| 338 | D | B | -1.7593 | |
| 339 | I | B | -0.2542 | |
| 340 | E | B | -1.5535 | |
| 341 | Q | B | -0.3608 | |
| 342 | Y | B | 1.6295 | |
| 343 | V | B | 2.5013 | |
| 344 | L | B | 2.3039 | |
| 345 | Q | B | 0.7395 | |
| 346 | V | B | 1.2768 | |
| 347 | N | B | -0.2774 | |
| 348 | L | B | 0.4930 | |
| 349 | K | B | -1.3267 | |
| 350 | A | B | -1.1280 | |
| 351 | P | B | -0.8449 | |
| 352 | K | B | -0.8331 | |
| 353 | L | B | 1.4703 | |
| 354 | M | B | 1.8058 | |
| 355 | M | B | 1.6119 | |
| 356 | S | B | 0.3880 | |
| 357 | G | B | -0.6125 | |
| 358 | P | B | -0.8111 | |
| 359 | G | B | -0.9657 | |
| 360 | P | B | -1.1796 | |
| 361 | G | B | -1.3856 | |
| 362 | K | B | -1.6371 | |
| 363 | P | B | -0.5053 | |
| 364 | I | B | 1.2836 | |
| 365 | N | B | 0.2123 | |
| 366 | I | B | 1.0991 | |
| 367 | E | B | -0.8982 | |
| 368 | H | B | -0.1106 | |
| 369 | I | B | 2.0296 | |
| 370 | L | B | 1.8545 | |
| 371 | P | B | 0.8711 | |
| 372 | G | B | 0.5100 | |
| 373 | A | B | 0.7354 | |
| 374 | I | B | 1.6588 | |
| 375 | T | B | 0.6360 | |
| 376 | T | B | 0.0417 | |
| 377 | D | B | -0.5264 | |
| 378 | I | B | 1.3069 | |
| 379 | Y | B | 0.9463 | |
| 380 | D | B | -1.0061 | |
| 381 | T | B | -0.6242 | |
| 382 | G | B | -0.9813 | |
| 383 | P | B | -1.0384 | |
| 384 | G | B | -0.9116 | |
| 385 | P | B | -1.3619 | |
| 386 | G | B | -2.0310 | |
| 387 | E | B | -3.3552 | |
| 388 | E | B | -3.9024 | |
| 389 | K | B | -3.7342 | |
| 390 | D | B | -2.5486 | |
| 391 | L | B | -0.3707 | |
| 392 | E | B | -1.0805 | |
| 393 | S | B | 0.4802 | |
| 394 | I | B | 2.2072 | |
| 395 | L | B | 2.0405 | |
| 396 | P | B | 0.9264 | |
| 397 | G | B | 0.6748 | |
| 398 | A | B | 1.3575 | |
| 399 | I | B | 2.3248 | |
| 400 | V | B | 2.7945 | |
| 401 | S | B | 1.2884 | |
| 402 | P | B | 0.5489 | |
| 403 | M | B | 1.4382 | |
| 404 | K | B | -0.0145 | |
| 405 | V | B | 1.5842 | |
| 406 | L | B | 1.1943 | |
| 407 | K | B | -1.0065 | |
| 408 | G | B | -0.7633 | |
| 409 | P | B | -0.6108 | |
| 410 | G | B | -0.6733 | |
| 411 | P | B | -0.6646 | |
| 412 | G | B | -0.8566 | |
| 413 | A | B | -0.6005 | |
| 414 | L | B | 0.2004 | |
| 415 | E | B | -1.0296 | |
| 416 | G | B | 0.3566 | |
| 417 | V | B | 1.9577 | |
| 418 | L | B | 1.8125 | |
| 419 | F | B | 2.7061 | |
| 420 | M | B | 1.2876 | |
| 421 | K | B | -0.5566 | |
| 422 | S | B | -0.9239 | |
| 423 | K | B | -1.1835 | |
| 424 | V | B | 0.3414 | |
| 425 | T | B | -0.2861 | |
| 426 | G | B | -1.5466 | |
| 427 | D | B | -2.7251 | |
| 428 | E | B | -2.8219 | |
| 429 | T | B | -1.5398 | |
| 430 | A | B | -0.7028 | |
| 431 | T | B | -0.5758 | |
| 432 | G | B | -0.7279 | |
| 433 | P | B | -0.8256 | |
| 434 | G | B | -0.9378 | |
| 435 | P | B | -0.7982 | |
| 436 | G | B | -1.0654 | |
| 437 | T | B | -0.9892 | |
| 438 | S | B | -1.3250 | |
| 439 | K | B | -2.7983 | |
| 440 | D | B | -2.9875 | |
| 441 | N | B | -2.4069 | |
| 442 | Y | B | -0.5731 | |
| 443 | E | B | -1.1823 | |
| 444 | A | B | 0.1012 | |
| 445 | A | B | 0.0000 | |
| 446 | K | B | -1.4688 | |
| 447 | V | B | -0.3646 | |
| 448 | N | B | -1.3740 | |
| 449 | I | B | -0.2032 | |
| 450 | S | B | -1.1892 | |
| 451 | E | B | -2.8421 | |
| 452 | N | B | -3.1528 | |
| 453 | D | B | -3.7065 | |
| 454 | N | B | -3.6827 | |
| 455 | E | B | -3.3391 | |
| 456 | G | B | -2.3595 | |
| 457 | P | B | -1.2990 | |
| 458 | G | B | -1.7095 | |
| 459 | P | B | -2.2587 | |
| 460 | G | B | -2.4145 | |
| 461 | V | B | -1.3596 | |
| 462 | S | B | -0.9690 | |
| 463 | I | B | 0.1376 | |
| 464 | S | B | 0.4170 | |
| 465 | L | B | 0.4059 | |
| 466 | A | B | -0.6171 | |
| 467 | L | B | -1.0574 | |
| 468 | K | B | -2.3010 | |
| 469 | G | B | -1.6251 | |
| 470 | V | B | 0.1877 | |
| 471 | Y | B | 0.7293 | |
| 472 | G | B | -0.7991 | |
| 473 | N | B | -2.0152 | |
| 474 | R | B | -1.6047 | |
| 475 | I | B | 0.8590 | |
| 476 | F | B | 1.1503 | |
| 477 | T | B | 0.4885 | |
| 478 | F | B | 0.2161 | |
| 479 | D | B | -1.8738 | |
| 480 | G | B | -1.3708 | |
| 481 | P | B | -1.2450 | |
| 482 | G | B | -1.4506 | |
| 483 | P | B | -0.4529 | |
| 484 | G | B | -0.3575 | |
| 485 | G | B | 0.3457 | |
| 486 | I | B | 2.1347 | |
| 487 | Y | B | 1.4911 | |
| 488 | N | B | 0.3938 | |
| 489 | L | B | 0.7040 | |
| 490 | S | B | -0.5762 | |
| 491 | K | B | -1.6528 | |
| 492 | E | B | -1.0554 | |
| 493 | I | B | -0.0377 | |
| 494 | R | B | -1.7857 | |
| 495 | M | B | -1.4433 | |
| 496 | R | B | -2.8764 | |
| 497 | K | B | -3.2653 | |
| 498 | D | B | -2.9326 | |
| 499 | T | B | -1.6292 | |
| 500 | S | B | -0.2687 | |
| 501 | V | B | 0.9746 | |
| 502 | K | B | -0.5867 | |
| 503 | I | B | 0.2003 | |
| 504 | K | B | -2.2469 | |
| 505 | K | B | -3.6818 | |
| 506 | K | B | -3.5315 | |
| 507 | G | B | -3.1154 | |
| 508 | E | B | -3.1156 | |
| 509 | E | B | -2.6566 | |
| 510 | V | B | -0.4890 | |
| 511 | G | B | -1.5135 | |
| 512 | E | B | -3.1965 | |
| 513 | E | B | -3.6161 | |
| 514 | E | B | -3.6506 | |
| 515 | G | B | -2.3675 | |
| 516 | E | B | -1.4106 | |
| 517 | Y | B | 0.5820 | |
| 518 | V | B | 0.4645 | |
| 519 | D | B | -2.0457 | |
| 520 | E | B | -3.8823 | |
| 521 | K | B | -4.5673 | |
| 522 | E | B | -4.6717 | |
| 523 | R | B | -4.4018 | |
| 524 | Q | B | -3.6606 | |
| 525 | G | B | -3.2079 | |
| 526 | E | B | -3.2555 | |
| 527 | I | B | -0.7983 | |
| 528 | Y | B | 0.1422 | |
| 529 | K | B | -1.2263 | |
| 530 | K | B | -1.0125 | |
| 531 | A | B | 0.4415 | |
| 532 | L | B | 1.0668 | |
| 533 | L | B | 0.7559 | |
| 534 | L | B | -0.0756 | |
| 535 | D | B | -2.4198 | |
| 536 | D | B | -3.1208 | |
| 537 | E | B | -4.4045 | |
| 538 | E | B | -4.9879 | |
| 539 | R | B | -5.2507 | |
| 540 | Q | B | -5.0830 | |
| 541 | K | B | -5.3525 | |
| 542 | K | B | -4.6795 | |
| 543 | I | B | -2.8082 | |
| 544 | K | B | -4.4987 | |
| 545 | Q | B | -4.9590 | |
| 546 | Q | B | -4.6878 | |
| 547 | Q | B | -5.0260 | |
| 548 | E | B | -5.5181 | |
| 549 | E | B | -5.6918 | |
| 550 | E | B | -5.3441 | |
| 551 | Q | B | -4.3917 | |
| 552 | Q | B | -4.0729 | |
| 553 | E | B | -4.2857 | |
| 554 | Q | B | -3.7772 | |
| 555 | I | B | -2.3330 | |
| 556 | L | B | -2.6009 | |
| 557 | K | B | -4.5032 | |
| 558 | D | B | -4.7648 | |
| 559 | Q | B | -4.6898 | |
| 560 | D | B | -5.5836 | |
| 561 | D | B | -5.7646 | |
| 562 | K | B | -5.9714 | |
| 563 | K | B | -5.6050 | |
| 564 | K | B | -4.8836 | |
| 565 | K | B | -4.5174 | |
| 566 | N | B | -3.6834 | |
| 567 | V | B | -1.5881 | |
| 568 | T | B | -2.0789 | |
| 569 | N | B | -2.5299 | |
| 570 | D | B | -1.9982 | |
| 571 | H | B | -0.7559 | |
| 572 | V | B | 1.4296 | |
| 573 | V | B | 2.0425 | |
| 574 | S | B | 0.5085 | |
| 575 | S | B | -0.5538 | |
| 576 | D | B | -1.6336 | |
| 577 | M | B | -0.7680 | |
| 578 | H | B | -2.0724 | |
| 579 | K | B | -2.4142 | |
| 580 | K | B | -1.9547 | |
| 581 | V | B | 0.5348 | |
| 582 | G | B | -0.2182 | |
| 583 | V | B | 0.2111 | |
| 584 | D | B | -1.9231 | |
| 585 | E | B | -2.5267 | |
| 586 | L | B | -2.1534 | |
| 587 | D | B | -3.4841 | |
| 588 | K | B | -2.8759 | |
| 589 | I | B | -1.7222 | |
| 590 | D | B | -1.6445 | |
| 591 | L | B | 0.4321 | |
| 592 | S | B | 0.2585 | |
| 593 | Y | B | 0.3057 | |
| 594 | E | B | -1.7413 | |
| 595 | T | B | -2.0790 | |
| 596 | K | B | -3.2212 | |
| 597 | K | B | -3.6428 | |
| 598 | N | B | -3.4568 | |
| 599 | P | B | -2.7812 | |
| 600 | D | B | -3.9836 | |
| 601 | E | B | -4.4552 | |
| 602 | K | B | -4.2881 | |
| 603 | D | B | -3.7319 | |
| 604 | N | B | -2.4927 | |
| 605 | T | B | -0.8845 | |
| 606 | Y | B | 1.2332 | |
| 607 | T | B | 1.6553 | |
| 608 | Y | B | 3.0765 | |
| 609 | L | B | 3.6829 | |
| 610 | I | B | 3.5791 | |
| 611 | L | B | 2.2980 | |
| 612 | P | B | -0.2045 | |
| 613 | K | B | -1.7759 | |
| 614 | K | B | -2.1412 | |
| 615 | N | B | -0.6207 | |
| 616 | F | B | 1.6043 | |
| 617 | L | B | 1.4070 | |
| 618 | L | B | 0.3462 | |
| 619 | T | B | 0.3778 | |
| 620 | F | B | 1.5531 | |
| 621 | L | B | 0.5473 | |
| 622 | K | B | -0.9500 | |
| 623 | R | B | -1.1644 | |
| 624 | C | B | 0.3955 | |
| 625 | L | B | 1.4353 | |
| 626 | M | B | 0.9348 | |
| 627 | K | B | -0.5802 | |
| 628 | I | B | 1.4737 | |
| 629 | F | B | 1.3327 | |
| 630 | S | B | -0.4191 | |
| 631 | K | B | -1.7560 | |
| 632 | K | B | -1.2013 | |
| 633 | L | B | 0.0662 | |
| 634 | E | B | -0.8733 | |
| 635 | V | B | 1.1259 | |
| 636 | L | B | 1.8917 | |
| 637 | F | B | 1.8666 | |
| 638 | Q | B | 0.0299 | |
| 639 | G | B | -0.5814 | |
| 640 | P | B | -1.3194 | |
| 641 | H | B | -2.2097 | |
| 642 | H | B | -2.4262 | |
| 643 | H | B | -2.5734 | |
| 644 | H | B | -2.7016 | |
| 645 | H | B | -2.6353 | |
| 646 | H | B | -2.6846 | |
| 647 | H | B | -2.6260 | |
| 648 | H | B | -2.5502 | |
| 649 | H | B | -2.2892 | |
| 650 | H | B | -1.8121 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.4398 | 9.0854 | View | CSV | PDB |
| 4.5 | -0.5271 | 9.0866 | View | CSV | PDB |
| 5.0 | -0.6325 | 9.0903 | View | CSV | PDB |
| 5.5 | -0.7314 | 9.1005 | View | CSV | PDB |
| 6.0 | -0.797 | 9.1231 | View | CSV | PDB |
| 6.5 | -0.8122 | 9.1606 | View | CSV | PDB |
| 7.0 | -0.7809 | 9.2085 | View | CSV | PDB |
| 7.5 | -0.7206 | 9.2609 | View | CSV | PDB |
| 8.0 | -0.6458 | 9.3149 | View | CSV | PDB |
| 8.5 | -0.5611 | 9.3691 | View | CSV | PDB |
| 9.0 | -0.4658 | 9.4224 | 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