| Chain sequence(s) |
A: MSSPLQRAVGDTKRALSASSSSSASLPFDDRDSNHTSEGNGDSLLADEDTDFEDSLNRNVKKRAAKRPPKTTPVAKHPKKGSRVVHRHSRKQSEPPANDLFNAVKAAKSDMQSLVDEWLDSYKQDQDAGFLELVNFFIQSCGCKGIVTPEMFKKMSNSEIIQHLTEQFNEDSGDYPLIAPGPSWKKFQGSFCEFVRTLVCQCQYSLLYDGFPMDDLISLLTGLSDSQVRAFRHTSTLAAMKLMTSLVKVALQLSVHQDNNQRQYEAERNKGPGQRAPERLESLLEKRKELQEHQEEIEGMMNALFRGVFVHRYRDVLPEIRAICIEEIGCWMQSYSTSFLTDSYLKYIGWTLHDKHREVRLKCVKALKGLYGNRDLTTRLELFTSRFKDRMVSMVMDREYDVAVEAVRLLILILKNMEGVLTDADCESVYPVVYASHRGLASAAGEFLYWKLFYPECEIRMMGGREQRQSPGAQRTFFQLLLSFFVESELHDHAAYLVDSLWDCAGARLKDWEGLTSLLLEKDQNLGDVQESTLIEILVSSARQASEGHPPVGRVTGRKGLTSKERKTQADDRVKLTEHLIPLLPQLLAKFSADAEKVTPLLQLLSCFDLHIYCTGRLEKHLELFLQQLQEVVVKHAEPAVLEAGAHALYLLCNPEFTFFSRADFARSQLVDLLTDRFQQELEELLQSSFLDEDEVYNLAATLKRLSAFYNTHDLTRWELYEPCCQLLQKAVDTGEVPHQVILPALTLVYFSILWTLTHISKSDASQKQLSSLRDRMVAFCELCQSCLSDVDTEIQEQAFVLLSDLLLIFSPQMIVGGRDFLRPLVFFPEATLQSELASFLMDHVFIQPGDLGSGDSQEDHLQIERLHQRRRLLAGFCKLLLYGVLEMDAASDVFKHYNKFYNDYGDIIKETLTRARQIDRSHCSRILLLSLKQLYTELLQEHGPQGLNELPAFIEMRDLARRFALSFGPQQLQNRDLVVMLHKEGIQFSLSELPPAGSSNQPPNLAFLELLSEFSPRLFHQDKQLLLSYLEKCLQHVSQAPGHPWGPVTTYCHSLSPVENTAETSPQVLPSSKRRRVEGPAKPNREDVSSSQEESLQLNSIPPTPTLTSTAVKSRQPLWGLKEMEEEDGSELDFAQGQPVAGTERSRFLGPQYFQTPHNPSGPGLGNQLMRLSLMEEDEEEELEIQDESNEERQDTDMQASSYSSTSERGLDLLDSTELDIEDF
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:32)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/21512ebc4cbcab/tmp/folded.pdb (00:14:32)
[INFO] Main: Simulation completed successfully. (00:20:36)
|
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 |
|---|---|---|---|---|
| 1 | M | A | 0.8554 | |
| 2 | S | A | 0.2353 | |
| 3 | S | A | 0.1157 | |
| 4 | P | A | 0.2123 | |
| 5 | L | A | 0.3174 | |
| 6 | Q | A | -1.2578 | |
| 7 | R | A | -1.6415 | |
| 8 | A | A | -0.3440 | |
| 9 | V | A | 0.5981 | |
| 10 | G | A | -0.4737 | |
| 11 | D | A | -1.9885 | |
| 12 | T | A | -2.1525 | |
| 13 | K | A | -3.0886 | |
| 14 | R | A | -2.4362 | |
| 15 | A | A | -0.6999 | |
| 16 | L | A | 1.0659 | |
| 17 | S | A | 0.4619 | |
| 18 | A | A | 0.1126 | |
| 19 | S | A | -0.3693 | |
| 20 | S | A | -0.4523 | |
| 21 | S | A | -0.5105 | |
| 22 | S | A | -0.4594 | |
| 23 | S | A | -0.3799 | |
| 24 | A | A | 0.1610 | |
| 25 | S | A | 0.4801 | |
| 26 | L | A | 1.6898 | |
| 27 | P | A | 1.0144 | |
| 28 | F | A | 0.7699 | |
| 29 | D | A | -2.3256 | |
| 30 | D | A | -3.4644 | |
| 31 | R | A | -4.0319 | |
| 32 | D | A | -3.7183 | |
| 33 | S | A | -2.7158 | |
| 34 | N | A | -2.3586 | |
| 35 | H | A | -1.8082 | |
| 36 | T | A | -1.3413 | |
| 37 | S | A | -1.5689 | |
| 38 | E | A | -2.4957 | |
| 39 | G | A | -2.1336 | |
| 40 | N | A | -2.5707 | |
| 41 | G | A | -2.1730 | |
| 42 | D | A | -2.1756 | |
| 43 | S | A | -0.1874 | |
| 44 | L | A | 1.6000 | |
| 45 | L | A | 1.5843 | |
| 46 | A | A | -0.3496 | |
| 47 | D | A | -2.6112 | |
| 48 | E | A | -3.8406 | |
| 49 | D | A | -3.6755 | |
| 50 | T | A | -2.3775 | |
| 51 | D | A | -2.0930 | |
| 52 | F | A | -0.3514 | |
| 53 | E | A | -2.2612 | |
| 54 | D | A | -2.3441 | |
| 55 | S | A | -0.7185 | |
| 56 | L | A | -0.1050 | |
| 57 | N | A | -1.6777 | |
| 58 | R | A | -2.4989 | |
| 59 | N | A | -2.2672 | |
| 60 | V | A | -0.9182 | |
| 61 | K | A | -2.6836 | |
| 62 | K | A | -3.1054 | |
| 63 | R | A | -2.8177 | |
| 64 | A | A | -1.8248 | |
| 65 | A | A | -1.5120 | |
| 66 | K | A | -2.6515 | |
| 67 | R | A | -3.0253 | |
| 68 | P | A | -2.0575 | |
| 69 | P | A | -1.8762 | |
| 70 | K | A | -2.1283 | |
| 71 | T | A | -1.0718 | |
| 72 | T | A | -0.2115 | |
| 73 | P | A | 0.5595 | |
| 74 | V | A | 1.3235 | |
| 75 | A | A | -0.2005 | |
| 76 | K | A | -1.8443 | |
| 77 | H | A | -2.2694 | |
| 78 | P | A | -2.3256 | |
| 79 | K | A | -3.0472 | |
| 80 | K | A | -3.1419 | |
| 81 | G | A | -1.9856 | |
| 82 | S | A | -1.3575 | |
| 83 | R | A | -1.2043 | |
| 84 | V | A | 0.8003 | |
| 85 | V | A | 0.2377 | |
| 86 | H | A | -1.4847 | |
| 87 | R | A | -2.6243 | |
| 88 | H | A | -2.7163 | |
| 89 | S | A | -2.6457 | |
| 90 | R | A | -3.5429 | |
| 91 | K | A | -3.6261 | |
| 92 | Q | A | -3.1426 | |
| 93 | S | A | -2.4810 | |
| 94 | E | A | -2.6044 | |
| 95 | P | A | -1.7587 | |
| 96 | P | A | -1.3648 | |
| 97 | A | A | -1.1652 | |
| 98 | N | A | -2.0473 | |
| 99 | D | A | -1.6644 | |
| 100 | L | A | 0.0000 | |
| 101 | F | A | -0.9426 | |
| 102 | N | A | -1.5012 | |
| 103 | A | A | -1.2693 | |
| 104 | V | A | 0.0000 | |
| 105 | K | A | -1.7288 | |
| 106 | A | A | -1.2968 | |
| 107 | A | A | -1.7911 | |
| 108 | K | A | -2.2469 | |
| 109 | S | A | -1.9623 | |
| 110 | D | A | -2.5154 | |
| 111 | M | A | -2.0765 | |
| 112 | Q | A | -2.2797 | |
| 113 | S | A | -1.8271 | |
| 114 | L | A | -1.4792 | |
| 115 | V | A | 0.0000 | |
| 116 | D | A | -2.2906 | |
| 117 | E | A | -2.9873 | |
| 118 | W | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | D | A | -3.7911 | |
| 121 | S | A | -3.1590 | |
| 122 | Y | A | 0.0000 | |
| 123 | K | A | -3.7575 | |
| 124 | Q | A | -3.5488 | |
| 125 | D | A | -3.6062 | |
| 126 | Q | A | -3.1236 | |
| 127 | D | A | -2.5629 | |
| 128 | A | A | -1.7573 | |
| 129 | G | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | E | A | -0.8026 | |
| 133 | L | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | N | A | -0.1439 | |
| 136 | F | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | Q | A | -0.5242 | |
| 140 | S | A | 0.0000 | |
| 141 | C | A | 0.0000 | |
| 142 | G | A | -1.1017 | |
| 143 | C | A | 0.0000 | |
| 144 | K | A | -1.8612 | |
| 145 | G | A | 0.0000 | |
| 146 | I | A | 1.0266 | |
| 147 | V | A | 0.0000 | |
| 148 | T | A | -0.3940 | |
| 149 | P | A | -1.6595 | |
| 150 | E | A | -2.7300 | |
| 151 | M | A | -1.8285 | |
| 152 | F | A | -1.8793 | |
| 153 | K | A | -3.0647 | |
| 154 | K | A | -3.0180 | |
| 155 | M | A | -1.9250 | |
| 156 | S | A | -1.4891 | |
| 157 | N | A | -1.6282 | |
| 158 | S | A | -1.7734 | |
| 159 | E | A | -2.3884 | |
| 160 | I | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | Q | A | -2.5261 | |
| 163 | H | A | -2.3534 | |
| 164 | L | A | 0.0000 | |
| 165 | T | A | -2.2259 | |
| 166 | E | A | -3.0857 | |
| 167 | Q | A | -2.8714 | |
| 168 | F | A | -2.5288 | |
| 169 | N | A | -3.0513 | |
| 170 | E | A | -2.9992 | |
| 171 | D | A | -2.7874 | |
| 172 | S | A | -2.0809 | |
| 173 | G | A | -1.8666 | |
| 174 | D | A | -1.9244 | |
| 175 | Y | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | I | A | 0.0107 | |
| 179 | A | A | -0.5041 | |
| 180 | P | A | -0.6360 | |
| 181 | G | A | -0.9039 | |
| 182 | P | A | -1.3808 | |
| 183 | S | A | -1.4993 | |
| 184 | W | A | -1.4676 | |
| 185 | K | A | -2.7041 | |
| 186 | K | A | -2.7277 | |
| 187 | F | A | 0.0000 | |
| 188 | Q | A | -1.7118 | |
| 189 | G | A | -1.7445 | |
| 190 | S | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | C | A | -0.9432 | |
| 193 | E | A | -1.4864 | |
| 194 | F | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | R | A | -1.8354 | |
| 197 | T | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | C | A | -0.4581 | |
| 201 | Q | A | -0.4701 | |
| 202 | C | A | 0.0000 | |
| 203 | Q | A | 0.4475 | |
| 204 | Y | A | 1.1850 | |
| 205 | S | A | 0.1126 | |
| 206 | L | A | -0.0974 | |
| 207 | L | A | 0.0000 | |
| 208 | Y | A | -1.3365 | |
| 209 | D | A | -1.9090 | |
| 210 | G | A | -1.5593 | |
| 211 | F | A | -1.0221 | |
| 212 | P | A | 0.0000 | |
| 213 | M | A | 0.0000 | |
| 214 | D | A | -2.5614 | |
| 215 | D | A | -2.1316 | |
| 216 | L | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | S | A | -1.2200 | |
| 219 | L | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | T | A | -0.9590 | |
| 222 | G | A | -0.9407 | |
| 223 | L | A | 0.0000 | |
| 224 | S | A | 0.0000 | |
| 225 | D | A | -2.3557 | |
| 226 | S | A | 0.0000 | |
| 227 | Q | A | -1.7006 | |
| 228 | V | A | -0.9039 | |
| 229 | R | A | -1.1393 | |
| 230 | A | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | R | A | 0.0000 | |
| 233 | H | A | 0.0000 | |
| 234 | T | A | 0.0000 | |
| 235 | S | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | A | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | M | A | 0.0000 | |
| 241 | K | A | -0.7407 | |
| 242 | L | A | 0.0000 | |
| 243 | M | A | 0.0000 | |
| 244 | T | A | -0.6306 | |
| 245 | S | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | K | A | -1.4847 | |
| 249 | V | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | L | A | -0.1738 | |
| 252 | Q | A | -0.8222 | |
| 253 | L | A | 0.0000 | |
| 254 | S | A | -0.5341 | |
| 255 | V | A | -0.0056 | |
| 256 | H | A | -1.5066 | |
| 257 | Q | A | -2.5484 | |
| 258 | D | A | -2.8392 | |
| 259 | N | A | -2.5796 | |
| 260 | N | A | 0.0000 | |
| 261 | Q | A | -2.9689 | |
| 262 | R | A | -3.8083 | |
| 263 | Q | A | -3.0233 | |
| 264 | Y | A | 0.0000 | |
| 265 | E | A | -3.3695 | |
| 266 | A | A | -2.4647 | |
| 267 | E | A | 0.0000 | |
| 268 | R | A | -3.8591 | |
| 269 | N | A | -3.2623 | |
| 270 | K | A | -3.1838 | |
| 271 | G | A | -2.0246 | |
| 272 | P | A | -1.7597 | |
| 273 | G | A | -1.5733 | |
| 274 | Q | A | -2.5364 | |
| 275 | R | A | -3.0125 | |
| 276 | A | A | -2.4643 | |
| 277 | P | A | -2.5816 | |
| 278 | E | A | -3.2329 | |
| 279 | R | A | -3.2948 | |
| 280 | L | A | -3.0454 | |
| 281 | E | A | -3.4898 | |
| 282 | S | A | -3.0651 | |
| 283 | L | A | 0.0000 | |
| 284 | L | A | -2.8290 | |
| 285 | E | A | -4.1665 | |
| 286 | K | A | -4.1552 | |
| 287 | R | A | -4.1407 | |
| 288 | K | A | -4.5364 | |
| 289 | E | A | -4.5221 | |
| 290 | L | A | 0.0000 | |
| 291 | Q | A | -3.9778 | |
| 292 | E | A | -4.4436 | |
| 293 | H | A | -3.1031 | |
| 294 | Q | A | 0.0000 | |
| 295 | E | A | -3.6335 | |
| 296 | E | A | -3.2463 | |
| 297 | I | A | 0.0000 | |
| 298 | E | A | -2.7821 | |
| 299 | G | A | -2.2868 | |
| 300 | M | A | 0.0000 | |
| 301 | M | A | 0.0000 | |
| 302 | N | A | -1.9701 | |
| 303 | A | A | -1.5159 | |
| 304 | L | A | 0.0000 | |
| 305 | F | A | -1.1384 | |
| 306 | R | A | -2.1398 | |
| 307 | G | A | -1.5142 | |
| 308 | V | A | 0.0000 | |
| 309 | F | A | 0.0000 | |
| 310 | V | A | -0.9912 | |
| 311 | H | A | -1.8170 | |
| 312 | R | A | -1.2654 | |
| 313 | Y | A | -0.8604 | |
| 314 | R | A | -1.6383 | |
| 315 | D | A | 0.0000 | |
| 316 | V | A | 1.2139 | |
| 317 | L | A | 0.3179 | |
| 318 | P | A | -0.6987 | |
| 319 | E | A | -0.4142 | |
| 320 | I | A | 0.0000 | |
| 321 | R | A | -0.9036 | |
| 322 | A | A | 0.0000 | |
| 323 | I | A | -0.4000 | |
| 324 | C | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | E | A | -0.9679 | |
| 327 | E | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | G | A | 0.0000 | |
| 330 | C | A | -0.2202 | |
| 331 | W | A | 0.0000 | |
| 332 | M | A | 0.0000 | |
| 333 | Q | A | -0.8023 | |
| 334 | S | A | -0.4730 | |
| 335 | Y | A | -0.3349 | |
| 336 | S | A | -0.3007 | |
| 337 | T | A | -0.2265 | |
| 338 | S | A | -0.0288 | |
| 339 | F | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | T | A | -1.0292 | |
| 342 | D | A | -1.8674 | |
| 343 | S | A | -1.0094 | |
| 344 | Y | A | -0.5779 | |
| 345 | L | A | 0.0000 | |
| 346 | K | A | -0.6892 | |
| 347 | Y | A | 0.0000 | |
| 348 | I | A | 0.0000 | |
| 349 | G | A | 0.0000 | |
| 350 | W | A | 0.5464 | |
| 351 | T | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | H | A | -1.0112 | |
| 354 | D | A | -1.7529 | |
| 355 | K | A | -2.4404 | |
| 356 | H | A | -2.1216 | |
| 357 | R | A | -2.3066 | |
| 358 | E | A | -1.6840 | |
| 359 | V | A | 0.0000 | |
| 360 | R | A | 0.0000 | |
| 361 | L | A | -1.3159 | |
| 362 | K | A | -1.2894 | |
| 363 | C | A | 0.0000 | |
| 364 | V | A | 0.0000 | |
| 365 | K | A | -1.6968 | |
| 366 | A | A | -1.1178 | |
| 367 | L | A | 0.0000 | |
| 368 | K | A | -1.3984 | |
| 369 | G | A | -1.0978 | |
| 370 | L | A | 0.0000 | |
| 371 | Y | A | 0.0000 | |
| 372 | G | A | -1.7799 | |
| 373 | N | A | -2.5114 | |
| 374 | R | A | -3.2431 | |
| 375 | D | A | -3.1133 | |
| 376 | L | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | T | A | -1.6345 | |
| 379 | R | A | -1.8143 | |
| 380 | L | A | 0.0000 | |
| 381 | E | A | -1.8153 | |
| 382 | L | A | -0.7092 | |
| 383 | F | A | 0.0000 | |
| 384 | T | A | 0.0000 | |
| 385 | S | A | -1.4582 | |
| 386 | R | A | -2.3376 | |
| 387 | F | A | 0.0000 | |
| 388 | K | A | -1.7047 | |
| 389 | D | A | -2.4245 | |
| 390 | R | A | -1.6264 | |
| 391 | M | A | 0.0000 | |
| 392 | V | A | -0.6147 | |
| 393 | S | A | -0.5190 | |
| 394 | M | A | 0.0000 | |
| 395 | V | A | 0.0000 | |
| 396 | M | A | 0.4847 | |
| 397 | D | A | -1.0461 | |
| 398 | R | A | -2.1616 | |
| 399 | E | A | -1.8661 | |
| 400 | Y | A | -1.0267 | |
| 401 | D | A | -2.0354 | |
| 402 | V | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | E | A | 0.0000 | |
| 406 | A | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | R | A | -1.2017 | |
| 409 | L | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | I | A | 0.0000 | |
| 412 | L | A | -0.6588 | |
| 413 | I | A | 0.0000 | |
| 414 | L | A | -0.5620 | |
| 415 | K | A | -1.2648 | |
| 416 | N | A | -1.7405 | |
| 417 | M | A | 0.0000 | |
| 418 | E | A | -1.9961 | |
| 419 | G | A | -1.3348 | |
| 420 | V | A | -0.7675 | |
| 421 | L | A | -0.7676 | |
| 422 | T | A | -1.2838 | |
| 423 | D | A | -2.3851 | |
| 424 | A | A | -1.5668 | |
| 425 | D | A | -1.5728 | |
| 426 | C | A | 0.0000 | |
| 427 | E | A | -2.4156 | |
| 428 | S | A | -1.1574 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | 0.0000 | |
| 431 | P | A | -0.4521 | |
| 432 | V | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | Y | A | 0.0000 | |
| 435 | A | A | -0.0867 | |
| 436 | S | A | 0.1997 | |
| 437 | H | A | -0.5763 | |
| 438 | R | A | -0.3814 | |
| 439 | G | A | -0.5814 | |
| 440 | L | A | 0.0000 | |
| 441 | A | A | 0.0000 | |
| 442 | S | A | -0.6472 | |
| 443 | A | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | G | A | 0.0000 | |
| 446 | E | A | -0.8978 | |
| 447 | F | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | Y | A | 0.2135 | |
| 450 | W | A | 0.1478 | |
| 451 | K | A | -0.4437 | |
| 452 | L | A | 0.2596 | |
| 453 | F | A | 0.0000 | |
| 454 | Y | A | 0.4453 | |
| 455 | P | A | -0.0101 | |
| 456 | E | A | -0.4118 | |
| 457 | C | A | 0.0000 | |
| 458 | E | A | 0.0529 | |
| 459 | I | A | 1.1270 | |
| 460 | R | A | -0.7932 | |
| 461 | M | A | -0.6212 | |
| 462 | M | A | 0.5314 | |
| 463 | G | A | -0.6696 | |
| 464 | G | A | -1.9550 | |
| 465 | R | A | -3.2322 | |
| 466 | E | A | -3.9935 | |
| 467 | Q | A | -3.5694 | |
| 468 | R | A | -3.7083 | |
| 469 | Q | A | -2.6140 | |
| 470 | S | A | -2.0751 | |
| 471 | P | A | -1.3338 | |
| 472 | G | A | -0.9611 | |
| 473 | A | A | 0.0000 | |
| 474 | Q | A | 0.0000 | |
| 475 | R | A | -1.1073 | |
| 476 | T | A | -0.9667 | |
| 477 | F | A | 0.0000 | |
| 478 | F | A | 0.0000 | |
| 479 | Q | A | -0.8286 | |
| 480 | L | A | -0.0938 | |
| 481 | L | A | 0.0000 | |
| 482 | L | A | 0.0000 | |
| 483 | S | A | -0.4237 | |
| 484 | F | A | 0.0000 | |
| 485 | F | A | 0.0000 | |
| 486 | V | A | -0.4181 | |
| 487 | E | A | -1.8163 | |
| 488 | S | A | -1.6108 | |
| 489 | E | A | -2.0263 | |
| 490 | L | A | -0.5257 | |
| 491 | H | A | -1.1948 | |
| 492 | D | A | -2.2503 | |
| 493 | H | A | -1.4679 | |
| 494 | A | A | 0.0000 | |
| 495 | A | A | -0.4193 | |
| 496 | Y | A | 0.1414 | |
| 497 | L | A | 0.0000 | |
| 498 | V | A | 0.0000 | |
| 499 | D | A | 0.0000 | |
| 500 | S | A | 0.0000 | |
| 501 | L | A | 0.0000 | |
| 502 | W | A | -0.7672 | |
| 503 | D | A | -1.7071 | |
| 504 | C | A | -0.7152 | |
| 505 | A | A | 0.0000 | |
| 506 | G | A | -0.6226 | |
| 507 | A | A | -0.4389 | |
| 508 | R | A | -0.5185 | |
| 509 | L | A | 0.0000 | |
| 510 | K | A | -1.0764 | |
| 511 | D | A | -1.3165 | |
| 512 | W | A | 0.0000 | |
| 513 | E | A | -2.1139 | |
| 514 | G | A | -1.4436 | |
| 515 | L | A | 0.0000 | |
| 516 | T | A | 0.0000 | |
| 517 | S | A | -1.0421 | |
| 518 | L | A | 0.0000 | |
| 519 | L | A | 0.0000 | |
| 520 | L | A | -1.0544 | |
| 521 | E | A | -2.3278 | |
| 522 | K | A | -3.2178 | |
| 523 | D | A | -3.3347 | |
| 524 | Q | A | -2.6366 | |
| 525 | N | A | -2.5342 | |
| 526 | L | A | -1.5911 | |
| 527 | G | A | -1.0916 | |
| 528 | D | A | -1.5154 | |
| 529 | V | A | 0.3809 | |
| 530 | Q | A | -0.4412 | |
| 531 | E | A | -0.6985 | |
| 532 | S | A | -0.7967 | |
| 533 | T | A | 0.0000 | |
| 534 | L | A | 0.0000 | |
| 535 | I | A | 0.0000 | |
| 536 | E | A | -0.9642 | |
| 537 | I | A | 0.0000 | |
| 538 | L | A | 0.0000 | |
| 539 | V | A | 0.0000 | |
| 540 | S | A | 0.0000 | |
| 541 | S | A | 0.0000 | |
| 542 | A | A | 0.0000 | |
| 543 | R | A | -2.2744 | |
| 544 | Q | A | 0.0000 | |
| 545 | A | A | 0.0000 | |
| 546 | S | A | 0.0000 | |
| 547 | E | A | -1.7534 | |
| 548 | G | A | -1.6617 | |
| 549 | H | A | -0.7766 | |
| 550 | P | A | -0.1146 | |
| 551 | P | A | 0.3998 | |
| 552 | V | A | 1.6332 | |
| 553 | G | A | 0.4777 | |
| 554 | R | A | 0.0000 | |
| 555 | V | A | 0.1722 | |
| 556 | T | A | -0.6892 | |
| 557 | G | A | -1.7215 | |
| 558 | R | A | -2.8487 | |
| 559 | K | A | -2.7733 | |
| 560 | G | A | -2.1194 | |
| 561 | L | A | -1.9293 | |
| 562 | T | A | -1.8780 | |
| 563 | S | A | -2.3605 | |
| 564 | K | A | -3.3567 | |
| 565 | E | A | -3.4448 | |
| 566 | R | A | -4.0754 | |
| 567 | K | A | -4.1102 | |
| 568 | T | A | -2.9576 | |
| 569 | Q | A | -2.8775 | |
| 570 | A | A | -2.5103 | |
| 571 | D | A | -2.9962 | |
| 572 | D | A | 0.0000 | |
| 573 | R | A | -2.1556 | |
| 574 | V | A | -1.4704 | |
| 575 | K | A | -2.6989 | |
| 576 | L | A | 0.0000 | |
| 577 | T | A | 0.0000 | |
| 578 | E | A | -2.3960 | |
| 579 | H | A | -1.7951 | |
| 580 | L | A | 0.0000 | |
| 581 | I | A | 0.0000 | |
| 582 | P | A | -0.6672 | |
| 583 | L | A | -0.5279 | |
| 584 | L | A | 0.0000 | |
| 585 | P | A | 0.0000 | |
| 586 | Q | A | -1.1340 | |
| 587 | L | A | 0.0000 | |
| 588 | L | A | 0.0000 | |
| 589 | A | A | -1.1164 | |
| 590 | K | A | -1.5115 | |
| 591 | F | A | 0.0000 | |
| 592 | S | A | 0.0000 | |
| 593 | A | A | -0.9704 | |
| 594 | D | A | -1.3061 | |
| 595 | A | A | -1.4332 | |
| 596 | E | A | -2.0858 | |
| 597 | K | A | 0.0000 | |
| 598 | V | A | 0.0000 | |
| 599 | T | A | -1.0585 | |
| 600 | P | A | 0.0000 | |
| 601 | L | A | 0.0000 | |
| 602 | L | A | 0.0000 | |
| 603 | Q | A | -1.2739 | |
| 604 | L | A | 0.0000 | |
| 605 | L | A | 0.0000 | |
| 606 | S | A | -0.8143 | |
| 607 | C | A | 0.0000 | |
| 608 | F | A | 0.0000 | |
| 609 | D | A | -1.1106 | |
| 610 | L | A | -0.6214 | |
| 611 | H | A | -1.3574 | |
| 612 | I | A | 0.0000 | |
| 613 | Y | A | 0.0000 | |
| 614 | C | A | -1.0039 | |
| 615 | T | A | -0.9436 | |
| 616 | G | A | -1.5895 | |
| 617 | R | A | -2.4833 | |
| 618 | L | A | -2.2520 | |
| 619 | E | A | -2.6394 | |
| 620 | K | A | -2.8175 | |
| 621 | H | A | -1.9348 | |
| 622 | L | A | 0.0000 | |
| 623 | E | A | -2.3814 | |
| 624 | L | A | -1.2951 | |
| 625 | F | A | 0.0000 | |
| 626 | L | A | 0.0000 | |
| 627 | Q | A | -1.7175 | |
| 628 | Q | A | 0.0000 | |
| 629 | L | A | 0.0000 | |
| 630 | Q | A | -1.2553 | |
| 631 | E | A | -1.4246 | |
| 632 | V | A | 0.0000 | |
| 633 | V | A | 0.0000 | |
| 634 | V | A | 0.0182 | |
| 635 | K | A | -1.3421 | |
| 636 | H | A | 0.0000 | |
| 637 | A | A | -0.6358 | |
| 638 | E | A | -1.4821 | |
| 639 | P | A | -0.9269 | |
| 640 | A | A | -0.7742 | |
| 641 | V | A | 0.0000 | |
| 642 | L | A | 0.0000 | |
| 643 | E | A | -1.0864 | |
| 644 | A | A | -0.5434 | |
| 645 | G | A | 0.0000 | |
| 646 | A | A | 0.0000 | |
| 647 | H | A | -0.2767 | |
| 648 | A | A | 0.0000 | |
| 649 | L | A | 0.0000 | |
| 650 | Y | A | 0.4839 | |
| 651 | L | A | 0.4808 | |
| 652 | L | A | 0.0000 | |
| 653 | C | A | 0.0000 | |
| 654 | N | A | -0.9685 | |
| 655 | P | A | -1.3685 | |
| 656 | E | A | -2.1405 | |
| 657 | F | A | 0.0000 | |
| 658 | T | A | -0.7359 | |
| 659 | F | A | 0.0000 | |
| 660 | F | A | -0.5473 | |
| 661 | S | A | -0.4301 | |
| 662 | R | A | -1.0309 | |
| 663 | A | A | 0.0000 | |
| 664 | D | A | -0.4216 | |
| 665 | F | A | 0.5898 | |
| 666 | A | A | 0.0000 | |
| 667 | R | A | -0.4836 | |
| 668 | S | A | -0.4214 | |
| 669 | Q | A | -0.6860 | |
| 670 | L | A | 0.0000 | |
| 671 | V | A | 0.0000 | |
| 672 | D | A | -1.3884 | |
| 673 | L | A | -0.4058 | |
| 674 | L | A | 0.0000 | |
| 675 | T | A | -1.7368 | |
| 676 | D | A | -2.5733 | |
| 677 | R | A | -2.0831 | |
| 678 | F | A | 0.0000 | |
| 679 | Q | A | -2.7520 | |
| 680 | Q | A | -3.1873 | |
| 681 | E | A | -2.5217 | |
| 682 | L | A | 0.0000 | |
| 683 | E | A | -3.1746 | |
| 684 | E | A | -2.9044 | |
| 685 | L | A | 0.0000 | |
| 686 | L | A | -1.0183 | |
| 687 | Q | A | -1.6362 | |
| 688 | S | A | -0.4800 | |
| 689 | S | A | 0.1985 | |
| 690 | F | A | 1.1237 | |
| 691 | L | A | -0.4423 | |
| 692 | D | A | -1.7203 | |
| 693 | E | A | -2.7781 | |
| 694 | D | A | -2.9698 | |
| 695 | E | A | -2.2659 | |
| 696 | V | A | 0.0000 | |
| 697 | Y | A | -0.4963 | |
| 698 | N | A | -1.1117 | |
| 699 | L | A | 0.0000 | |
| 700 | A | A | 0.0000 | |
| 701 | A | A | -0.3597 | |
| 702 | T | A | 0.0000 | |
| 703 | L | A | 0.0000 | |
| 704 | K | A | -0.9634 | |
| 705 | R | A | 0.0000 | |
| 706 | L | A | 0.0000 | |
| 707 | S | A | 0.0000 | |
| 708 | A | A | 0.0000 | |
| 709 | F | A | 0.0000 | |
| 710 | Y | A | 0.0000 | |
| 711 | N | A | -0.9287 | |
| 712 | T | A | -0.4678 | |
| 713 | H | A | 0.0000 | |
| 714 | D | A | -1.0694 | |
| 715 | L | A | 0.0000 | |
| 716 | T | A | -1.5251 | |
| 717 | R | A | -2.4586 | |
| 718 | W | A | -2.0529 | |
| 719 | E | A | -2.7272 | |
| 720 | L | A | 0.0000 | |
| 721 | Y | A | 0.0000 | |
| 722 | E | A | -2.5067 | |
| 723 | P | A | -1.7906 | |
| 724 | C | A | 0.0000 | |
| 725 | C | A | -1.2532 | |
| 726 | Q | A | -1.5464 | |
| 727 | L | A | 0.0000 | |
| 728 | L | A | 0.0000 | |
| 729 | Q | A | -1.3771 | |
| 730 | K | A | -1.5663 | |
| 731 | A | A | 0.0000 | |
| 732 | V | A | -0.8526 | |
| 733 | D | A | -2.1038 | |
| 734 | T | A | -1.6953 | |
| 735 | G | A | -1.6756 | |
| 736 | E | A | -2.0382 | |
| 737 | V | A | 0.0000 | |
| 738 | P | A | -1.0282 | |
| 739 | H | A | -1.3963 | |
| 740 | Q | A | -0.6655 | |
| 741 | V | A | 0.0000 | |
| 742 | I | A | 0.0000 | |
| 743 | L | A | -0.5637 | |
| 744 | P | A | 0.0000 | |
| 745 | A | A | 0.0000 | |
| 746 | L | A | 0.0000 | |
| 747 | T | A | -0.1414 | |
| 748 | L | A | 0.0000 | |
| 749 | V | A | 0.0000 | |
| 750 | Y | A | 0.0000 | |
| 751 | F | A | 0.1029 | |
| 752 | S | A | 0.0000 | |
| 753 | I | A | 0.0000 | |
| 754 | L | A | 0.4469 | |
| 755 | W | A | 0.1529 | |
| 756 | T | A | 0.0010 | |
| 757 | L | A | -0.0972 | |
| 758 | T | A | -0.4405 | |
| 759 | H | A | -1.0919 | |
| 760 | I | A | 0.0000 | |
| 761 | S | A | -1.2646 | |
| 762 | K | A | -2.2148 | |
| 763 | S | A | -1.9027 | |
| 764 | D | A | -2.2689 | |
| 765 | A | A | -1.9212 | |
| 766 | S | A | -1.9314 | |
| 767 | Q | A | -2.5058 | |
| 768 | K | A | -2.9231 | |
| 769 | Q | A | -2.5432 | |
| 770 | L | A | 0.0000 | |
| 771 | S | A | -2.3559 | |
| 772 | S | A | -2.2493 | |
| 773 | L | A | 0.0000 | |
| 774 | R | A | -2.2169 | |
| 775 | D | A | -2.4827 | |
| 776 | R | A | -1.7847 | |
| 777 | M | A | 0.0000 | |
| 778 | V | A | -0.8226 | |
| 779 | A | A | -1.0765 | |
| 780 | F | A | 0.0000 | |
| 781 | C | A | 0.0000 | |
| 782 | E | A | -1.7112 | |
| 783 | L | A | 0.0000 | |
| 784 | C | A | 0.0000 | |
| 785 | Q | A | -1.0882 | |
| 786 | S | A | -0.8708 | |
| 787 | C | A | 0.0000 | |
| 788 | L | A | 0.0000 | |
| 789 | S | A | -0.3321 | |
| 790 | D | A | -0.2208 | |
| 791 | V | A | 0.9394 | |
| 792 | D | A | -0.5380 | |
| 793 | T | A | -1.0729 | |
| 794 | E | A | -2.1365 | |
| 795 | I | A | 0.0000 | |
| 796 | Q | A | -0.9384 | |
| 797 | E | A | -1.2458 | |
| 798 | Q | A | -0.8121 | |
| 799 | A | A | 0.0000 | |
| 800 | F | A | 0.0000 | |
| 801 | V | A | -0.4593 | |
| 802 | L | A | 0.0000 | |
| 803 | L | A | 0.0000 | |
| 804 | S | A | 0.0000 | |
| 805 | D | A | -0.6448 | |
| 806 | L | A | 0.0000 | |
| 807 | L | A | 0.0000 | |
| 808 | L | A | 0.2993 | |
| 809 | I | A | 0.4534 | |
| 810 | F | A | 0.0000 | |
| 811 | S | A | 0.0000 | |
| 812 | P | A | 0.2535 | |
| 813 | Q | A | -0.0847 | |
| 814 | M | A | -0.1172 | |
| 815 | I | A | -0.4960 | |
| 816 | V | A | 0.6191 | |
| 817 | G | A | -0.3382 | |
| 818 | G | A | -0.8956 | |
| 819 | R | A | -1.6357 | |
| 820 | D | A | -2.1610 | |
| 821 | F | A | -1.2697 | |
| 822 | L | A | 0.0000 | |
| 823 | R | A | -2.0954 | |
| 824 | P | A | -1.3735 | |
| 825 | L | A | 0.0000 | |
| 826 | V | A | -0.1054 | |
| 827 | F | A | 0.0000 | |
| 828 | F | A | 1.5066 | |
| 829 | P | A | 0.0000 | |
| 830 | E | A | -1.4218 | |
| 831 | A | A | -1.0406 | |
| 832 | T | A | -0.9700 | |
| 833 | L | A | 0.0000 | |
| 834 | Q | A | -1.0158 | |
| 835 | S | A | -0.9383 | |
| 836 | E | A | -0.9772 | |
| 837 | L | A | 0.0000 | |
| 838 | A | A | -0.6799 | |
| 839 | S | A | -0.9388 | |
| 840 | F | A | 0.0000 | |
| 841 | L | A | 0.0000 | |
| 842 | M | A | -0.7545 | |
| 843 | D | A | -1.6497 | |
| 844 | H | A | -0.9843 | |
| 845 | V | A | 0.0000 | |
| 846 | F | A | 0.0000 | |
| 847 | I | A | -0.8456 | |
| 848 | Q | A | -1.6754 | |
| 849 | P | A | -1.2647 | |
| 850 | G | A | -1.5846 | |
| 851 | D | A | -1.9773 | |
| 852 | L | A | -0.8749 | |
| 853 | G | A | -1.2216 | |
| 854 | S | A | -1.4683 | |
| 855 | G | A | -2.1783 | |
| 856 | D | A | -3.3036 | |
| 857 | S | A | -2.6705 | |
| 858 | Q | A | -3.1678 | |
| 859 | E | A | -3.4578 | |
| 860 | D | A | -3.4841 | |
| 861 | H | A | -2.8581 | |
| 862 | L | A | -2.0660 | |
| 863 | Q | A | -2.1074 | |
| 864 | I | A | -1.6818 | |
| 865 | E | A | -3.0364 | |
| 866 | R | A | -2.8426 | |
| 867 | L | A | -1.9658 | |
| 868 | H | A | -2.6531 | |
| 869 | Q | A | -2.5455 | |
| 870 | R | A | -2.1099 | |
| 871 | R | A | -2.2898 | |
| 872 | R | A | -2.5487 | |
| 873 | L | A | 0.0000 | |
| 874 | L | A | 0.0000 | |
| 875 | A | A | -1.0633 | |
| 876 | G | A | -0.8819 | |
| 877 | F | A | 0.0000 | |
| 878 | C | A | 0.0000 | |
| 879 | K | A | -0.3201 | |
| 880 | L | A | 0.0000 | |
| 881 | L | A | 0.0000 | |
| 882 | L | A | -0.1133 | |
| 883 | Y | A | 0.0409 | |
| 884 | G | A | -0.1991 | |
| 885 | V | A | 0.0000 | |
| 886 | L | A | 0.0000 | |
| 887 | E | A | -1.9438 | |
| 888 | M | A | -0.9418 | |
| 889 | D | A | -1.3164 | |
| 890 | A | A | -0.8293 | |
| 891 | A | A | 0.0000 | |
| 892 | S | A | 0.0000 | |
| 893 | D | A | -0.5136 | |
| 894 | V | A | 0.0000 | |
| 895 | F | A | 0.0000 | |
| 896 | K | A | -0.6553 | |
| 897 | H | A | -0.7411 | |
| 898 | Y | A | 0.0000 | |
| 899 | N | A | -1.8487 | |
| 900 | K | A | -2.4642 | |
| 901 | F | A | 0.0000 | |
| 902 | Y | A | -1.3349 | |
| 903 | N | A | -1.6739 | |
| 904 | D | A | -1.5114 | |
| 905 | Y | A | 0.0000 | |
| 906 | G | A | 0.0000 | |
| 907 | D | A | -2.7963 | |
| 908 | I | A | 0.0000 | |
| 909 | I | A | 0.0000 | |
| 910 | K | A | -2.8691 | |
| 911 | E | A | -2.2224 | |
| 912 | T | A | 0.0000 | |
| 913 | L | A | 0.0000 | |
| 914 | T | A | -1.7413 | |
| 915 | R | A | -1.9054 | |
| 916 | A | A | 0.0000 | |
| 917 | R | A | -2.0135 | |
| 918 | Q | A | -1.6509 | |
| 919 | I | A | -0.0292 | |
| 920 | D | A | -1.5245 | |
| 921 | R | A | -2.4621 | |
| 922 | S | A | -1.7232 | |
| 923 | H | A | -1.4896 | |
| 924 | C | A | 0.0000 | |
| 925 | S | A | 0.0000 | |
| 926 | R | A | -2.1136 | |
| 927 | I | A | 0.0000 | |
| 928 | L | A | 0.0000 | |
| 929 | L | A | 0.0000 | |
| 930 | L | A | -0.6473 | |
| 931 | S | A | 0.0000 | |
| 932 | L | A | 0.0000 | |
| 933 | K | A | -0.6706 | |
| 934 | Q | A | -0.9119 | |
| 935 | L | A | -0.8292 | |
| 936 | Y | A | 0.0000 | |
| 937 | T | A | -1.6013 | |
| 938 | E | A | -2.8349 | |
| 939 | L | A | 0.0000 | |
| 940 | L | A | -2.1315 | |
| 941 | Q | A | -2.9291 | |
| 942 | E | A | -3.3298 | |
| 943 | H | A | -2.7028 | |
| 944 | G | A | -2.0519 | |
| 945 | P | A | -1.5830 | |
| 946 | Q | A | -1.9164 | |
| 947 | G | A | -1.5864 | |
| 948 | L | A | 0.0000 | |
| 949 | N | A | -1.2981 | |
| 950 | E | A | -1.8047 | |
| 951 | L | A | -0.7671 | |
| 952 | P | A | -0.4021 | |
| 953 | A | A | -0.5983 | |
| 954 | F | A | 0.0000 | |
| 955 | I | A | 0.1974 | |
| 956 | E | A | -1.6748 | |
| 957 | M | A | 0.0000 | |
| 958 | R | A | -1.5067 | |
| 959 | D | A | -2.2556 | |
| 960 | L | A | 0.0000 | |
| 961 | A | A | 0.0000 | |
| 962 | R | A | -2.0852 | |
| 963 | R | A | -1.2224 | |
| 964 | F | A | 0.0000 | |
| 965 | A | A | 0.0000 | |
| 966 | L | A | 0.8158 | |
| 967 | S | A | 0.0196 | |
| 968 | F | A | 0.0000 | |
| 969 | G | A | -0.3922 | |
| 970 | P | A | -0.7693 | |
| 971 | Q | A | -1.5195 | |
| 972 | Q | A | -1.4150 | |
| 973 | L | A | -0.2049 | |
| 974 | Q | A | -1.6186 | |
| 975 | N | A | 0.0000 | |
| 976 | R | A | -1.5497 | |
| 977 | D | A | -1.9384 | |
| 978 | L | A | -1.5521 | |
| 979 | V | A | 0.0000 | |
| 980 | V | A | -0.7284 | |
| 981 | M | A | -1.0007 | |
| 982 | L | A | 0.0000 | |
| 983 | H | A | 0.0000 | |
| 984 | K | A | -1.3908 | |
| 985 | E | A | -2.2777 | |
| 986 | G | A | 0.0000 | |
| 987 | I | A | 0.0000 | |
| 988 | Q | A | -1.8721 | |
| 989 | F | A | -1.1431 | |
| 990 | S | A | 0.0000 | |
| 991 | L | A | -0.4413 | |
| 992 | S | A | -0.6875 | |
| 993 | E | A | -0.8386 | |
| 994 | L | A | 0.5710 | |
| 995 | P | A | -0.3849 | |
| 996 | P | A | -0.5296 | |
| 997 | A | A | -0.3533 | |
| 998 | G | A | -0.8492 | |
| 999 | S | A | -0.9444 | |
| 1000 | S | A | -1.3309 | |
| 1001 | N | A | -1.6140 | |
| 1002 | Q | A | -1.2224 | |
| 1003 | P | A | 0.0000 | |
| 1004 | P | A | -0.6167 | |
| 1005 | N | A | 0.0000 | |
| 1006 | L | A | 0.0000 | |
| 1007 | A | A | 0.0000 | |
| 1008 | F | A | 0.0000 | |
| 1009 | L | A | 0.0000 | |
| 1010 | E | A | -0.4119 | |
| 1011 | L | A | 0.0000 | |
| 1012 | L | A | 0.0000 | |
| 1013 | S | A | 0.0000 | |
| 1014 | E | A | 0.0000 | |
| 1015 | F | A | 0.0000 | |
| 1016 | S | A | 0.0000 | |
| 1017 | P | A | -0.6175 | |
| 1018 | R | A | -0.6550 | |
| 1019 | L | A | 0.0000 | |
| 1020 | F | A | -0.8271 | |
| 1021 | H | A | -1.8196 | |
| 1022 | Q | A | -1.8528 | |
| 1023 | D | A | 0.0000 | |
| 1024 | K | A | -1.2278 | |
| 1025 | Q | A | -1.4688 | |
| 1026 | L | A | -0.1579 | |
| 1027 | L | A | 0.0000 | |
| 1028 | L | A | -0.7428 | |
| 1029 | S | A | -0.9688 | |
| 1030 | Y | A | -1.0684 | |
| 1031 | L | A | 0.0000 | |
| 1032 | E | A | -2.8444 | |
| 1033 | K | A | -2.9558 | |
| 1034 | C | A | -2.0559 | |
| 1035 | L | A | -2.0159 | |
| 1036 | Q | A | -2.7051 | |
| 1037 | H | A | -2.0828 | |
| 1038 | V | A | -1.1436 | |
| 1039 | S | A | -1.0681 | |
| 1040 | Q | A | -1.7438 | |
| 1041 | A | A | -1.1407 | |
| 1042 | P | A | -0.9844 | |
| 1043 | G | A | -1.2242 | |
| 1044 | H | A | -1.5737 | |
| 1045 | P | A | -1.1135 | |
| 1046 | W | A | 0.0000 | |
| 1047 | G | A | -0.6757 | |
| 1048 | P | A | -0.4062 | |
| 1049 | V | A | -0.1660 | |
| 1050 | T | A | -0.4129 | |
| 1051 | T | A | -0.4534 | |
| 1052 | Y | A | 0.0000 | |
| 1053 | C | A | -0.6962 | |
| 1054 | H | A | -0.6912 | |
| 1055 | S | A | -0.3420 | |
| 1056 | L | A | 0.0000 | |
| 1057 | S | A | -0.6894 | |
| 1058 | P | A | -0.7022 | |
| 1059 | V | A | 0.1952 | |
| 1060 | E | A | -1.6815 | |
| 1061 | N | A | -1.9920 | |
| 1062 | T | A | -1.3822 | |
| 1063 | A | A | -1.5954 | |
| 1064 | E | A | -2.1475 | |
| 1065 | T | A | -1.2688 | |
| 1066 | S | A | -1.1013 | |
| 1067 | P | A | -0.6444 | |
| 1068 | Q | A | -0.1898 | |
| 1069 | V | A | 1.8421 | |
| 1070 | L | A | 1.9186 | |
| 1071 | P | A | 0.8846 | |
| 1072 | S | A | -0.4103 | |
| 1073 | S | A | -1.5660 | |
| 1074 | K | A | -3.2302 | |
| 1075 | R | A | -4.0946 | |
| 1076 | R | A | -3.6157 | |
| 1077 | R | A | -2.6745 | |
| 1078 | V | A | -0.4830 | |
| 1079 | E | A | -1.6176 | |
| 1080 | G | A | -1.1251 | |
| 1081 | P | A | -1.1524 | |
| 1082 | A | A | -1.0329 | |
| 1083 | K | A | -2.1389 | |
| 1084 | P | A | -2.1620 | |
| 1085 | N | A | -3.1469 | |
| 1086 | R | A | -3.7755 | |
| 1087 | E | A | -3.5060 | |
| 1088 | D | A | -2.1313 | |
| 1089 | V | A | 0.3341 | |
| 1090 | S | A | 0.0952 | |
| 1091 | S | A | -0.3532 | |
| 1092 | S | A | -1.3215 | |
| 1093 | Q | A | -2.6881 | |
| 1094 | E | A | -3.4002 | |
| 1095 | E | A | -2.8466 | |
| 1096 | S | A | -0.9976 | |
| 1097 | L | A | 0.6978 | |
| 1098 | Q | A | -0.3380 | |
| 1099 | L | A | 0.9136 | |
| 1100 | N | A | -0.2881 | |
| 1101 | S | A | 0.2673 | |
| 1102 | I | A | 1.5640 | |
| 1103 | P | A | 0.3361 | |
| 1104 | P | A | -0.0009 | |
| 1105 | T | A | 0.1066 | |
| 1106 | P | A | 0.0041 | |
| 1107 | T | A | 0.4567 | |
| 1108 | L | A | 1.3323 | |
| 1109 | T | A | 0.5171 | |
| 1110 | S | A | 0.3503 | |
| 1111 | T | A | 0.2659 | |
| 1112 | A | A | 0.3977 | |
| 1113 | V | A | 0.8923 | |
| 1114 | K | A | -1.5327 | |
| 1115 | S | A | -1.7803 | |
| 1116 | R | A | -3.0081 | |
| 1117 | Q | A | -2.1065 | |
| 1118 | P | A | -0.0893 | |
| 1119 | L | A | 1.7528 | |
| 1120 | W | A | 2.0249 | |
| 1121 | G | A | 0.7814 | |
| 1122 | L | A | 0.2387 | |
| 1123 | K | A | -1.6009 | |
| 1124 | E | A | -2.1717 | |
| 1125 | M | A | -1.5233 | |
| 1126 | E | A | -2.9938 | |
| 1127 | E | A | -3.8652 | |
| 1128 | E | A | -4.1237 | |
| 1129 | D | A | -3.2979 | |
| 1130 | G | A | -2.2743 | |
| 1131 | S | A | -1.4578 | |
| 1132 | E | A | -1.6514 | |
| 1133 | L | A | 0.0442 | |
| 1134 | D | A | -0.3794 | |
| 1135 | F | A | 1.2080 | |
| 1136 | A | A | -0.0364 | |
| 1137 | Q | A | -1.2415 | |
| 1138 | G | A | -1.6615 | |
| 1139 | Q | A | -1.4244 | |
| 1140 | P | A | -0.1665 | |
| 1141 | V | A | 1.3352 | |
| 1142 | A | A | 0.4869 | |
| 1143 | G | A | -0.4819 | |
| 1144 | T | A | -1.5527 | |
| 1145 | E | A | -2.8797 | |
| 1146 | R | A | -3.2085 | |
| 1147 | S | A | -1.9712 | |
| 1148 | R | A | -0.9846 | |
| 1149 | F | A | 1.6151 | |
| 1150 | L | A | 1.7735 | |
| 1151 | G | A | 0.3011 | |
| 1152 | P | A | -0.4099 | |
| 1153 | Q | A | -0.4043 | |
| 1154 | Y | A | 1.3325 | |
| 1155 | F | A | 1.6314 | |
| 1156 | Q | A | -0.2723 | |
| 1157 | T | A | -0.6862 | |
| 1158 | P | A | -1.2051 | |
| 1159 | H | A | -1.9580 | |
| 1160 | N | A | -2.0800 | |
| 1161 | P | A | -1.4474 | |
| 1162 | S | A | -1.1460 | |
| 1163 | G | A | -0.8428 | |
| 1164 | P | A | -0.4810 | |
| 1165 | G | A | -0.3249 | |
| 1166 | L | A | 0.6006 | |
| 1167 | G | A | -0.4232 | |
| 1168 | N | A | -1.1179 | |
| 1169 | Q | A | -0.8820 | |
| 1170 | L | A | 1.0829 | |
| 1171 | M | A | 0.5452 | |
| 1172 | R | A | -0.2146 | |
| 1173 | L | A | 1.6089 | |
| 1174 | S | A | 1.0407 | |
| 1175 | L | A | 1.5962 | |
| 1176 | M | A | 0.2390 | |
| 1177 | E | A | -2.6020 | |
| 1178 | E | A | -3.9829 | |
| 1179 | D | A | -5.0879 | |
| 1180 | E | A | -5.1110 | |
| 1181 | E | A | -4.7486 | |
| 1182 | E | A | -4.1163 | |
| 1183 | E | A | -3.2480 | |
| 1184 | L | A | -0.9638 | |
| 1185 | E | A | -1.8779 | |
| 1186 | I | A | -0.5622 | |
| 1187 | Q | A | -2.0046 | |
| 1188 | D | A | -3.2126 | |
| 1189 | E | A | -3.2320 | |
| 1190 | S | A | -2.8297 | |
| 1191 | N | A | -3.6078 | |
| 1192 | E | A | -4.2308 | |
| 1193 | E | A | -4.3997 | |
| 1194 | R | A | -4.3270 | |
| 1195 | Q | A | -3.6264 | |
| 1196 | D | A | -3.2995 | |
| 1197 | T | A | -1.8769 | |
| 1198 | D | A | -1.9942 | |
| 1199 | M | A | -0.5980 | |
| 1200 | Q | A | -1.1230 | |
| 1201 | A | A | -0.5240 | |
| 1202 | S | A | -0.2401 | |
| 1203 | S | A | 0.2687 | |
| 1204 | Y | A | 1.0097 | |
| 1205 | S | A | 0.2254 | |
| 1206 | S | A | -0.3904 | |
| 1207 | T | A | -0.8734 | |
| 1208 | S | A | -1.7755 | |
| 1209 | E | A | -2.7949 | |
| 1210 | R | A | -2.7696 | |
| 1211 | G | A | -1.2816 | |
| 1212 | L | A | 0.2952 | |
| 1213 | D | A | -0.3617 | |
| 1214 | L | A | 0.8697 | |
| 1215 | L | A | -0.2811 | |
| 1216 | D | A | -1.4865 | |
| 1217 | S | A | -1.0505 | |
| 1218 | T | A | -1.6699 | |
| 1219 | E | A | -1.6147 | |
| 1220 | L | A | -0.3078 | |
| 1221 | D | A | -1.4038 | |
| 1222 | I | A | -0.1316 | |
| 1223 | E | A | -1.7789 | |
| 1224 | D | A | -1.4890 | |
| 1225 | F | A | 0.9742 |
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 | -0.7732 | 5.4957 | View | CSV | PDB |
| 4.5 | -0.8625 | 5.265 | View | CSV | PDB |
| 5.0 | -0.9755 | 4.9809 | View | CSV | PDB |
| 5.5 | -1.0934 | 4.891 | View | CSV | PDB |
| 6.0 | -1.1984 | 4.891 | View | CSV | PDB |
| 6.5 | -1.2771 | 4.891 | View | CSV | PDB |
| 7.0 | -1.3254 | 4.891 | View | CSV | PDB |
| 7.5 | -1.3499 | 4.891 | View | CSV | PDB |
| 8.0 | -1.3599 | 4.891 | View | CSV | PDB |
| 8.5 | -1.3589 | 4.891 | View | CSV | PDB |
| 9.0 | -1.3455 | 4.891 | 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