| Chain sequence(s) |
A: YPYDVPDYAYPYDVPDYAQVQLVQSGAEVKKPGASVKVSCKASGYTFTRYTMHWVRQAPGQGLEWMGYINPSRGYTNYNQKFKDRVTMTRDKSTSTVYMELSSLRSEDTAVYYCARYYDDHYCLDYWGQGTLVTVSSGGGGSGGGGSGGGGSDLVLTQSPATLSLSPGERATLSCSASSSVSYMNWYQQKPGQAPRLLIYDTSKLASGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQWSSNPFTFGQGTKLEIKGGGGSDIQMSQSPASLSASVGETVTITCRASGNIYNYLAWYQQKQGKSPHLLVYDAKTLADGVPSRFSGSGSGTQYSLKISSLQTEDSGNYYCQHFWSLPFTFGSGTKLEIKGGGGSGGGGSGGGGSEVQLQQSGAELVRPGALVKLSCKTSGFNIKDYFLHWVRQRPDQGLEWIGWINPDNGNTVYDPKFQGTASLTADTSSNTVYLQLSGLTSEDTAVYFCTRRDYTYEKAALDYWGQGTTVTVSS
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] (00:00:00)
[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 A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b14bb02bb372e37/tmp/folded.pdb (00:04:53)
[INFO] Main: Simulation completed successfully. (00:06:54)
|
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 | Y | A | 1.3000 | |
| 2 | P | A | 0.8058 | |
| 3 | Y | A | 1.1050 | |
| 4 | D | A | -0.5084 | |
| 5 | V | A | 0.8039 | |
| 6 | P | A | -0.2287 | |
| 7 | D | A | -0.8559 | |
| 8 | Y | A | 1.0075 | |
| 9 | A | A | 0.8510 | |
| 10 | Y | A | 1.5219 | |
| 11 | P | A | 1.0479 | |
| 12 | Y | A | 1.1070 | |
| 13 | D | A | -0.5640 | |
| 14 | V | A | 0.7595 | |
| 15 | P | A | -0.2814 | |
| 16 | D | A | -1.3045 | |
| 17 | Y | A | 0.3533 | |
| 18 | A | A | -0.2722 | |
| 19 | Q | A | -1.2831 | |
| 20 | V | A | -0.6154 | |
| 21 | Q | A | -1.1100 | |
| 22 | L | A | 0.0000 | |
| 23 | V | A | -0.0094 | |
| 24 | Q | A | 0.0000 | |
| 25 | S | A | -0.5557 | |
| 26 | G | A | -0.7455 | |
| 27 | A | A | -0.2201 | |
| 28 | E | A | -0.4995 | |
| 29 | V | A | 0.7210 | |
| 30 | K | A | -1.0092 | |
| 31 | K | A | -2.1651 | |
| 32 | P | A | -2.1482 | |
| 33 | G | A | -1.4594 | |
| 34 | A | A | -1.1722 | |
| 35 | S | A | -1.3243 | |
| 36 | V | A | 0.0000 | |
| 37 | K | A | -2.0112 | |
| 38 | V | A | 0.0000 | |
| 39 | S | A | -0.6992 | |
| 40 | C | A | 0.0000 | |
| 41 | K | A | -1.0811 | |
| 42 | A | A | 0.0000 | |
| 43 | S | A | -0.7083 | |
| 44 | G | A | -0.4781 | |
| 45 | Y | A | -0.3937 | |
| 46 | T | A | -0.3287 | |
| 47 | F | A | 0.0000 | |
| 48 | T | A | -1.5038 | |
| 49 | R | A | -1.9419 | |
| 50 | Y | A | -0.9746 | |
| 51 | T | A | -0.6059 | |
| 52 | M | A | 0.0000 | |
| 53 | H | A | 0.0000 | |
| 54 | W | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | R | A | -0.4612 | |
| 57 | Q | A | -0.7017 | |
| 58 | A | A | -1.0806 | |
| 59 | P | A | -1.1074 | |
| 60 | G | A | -1.2089 | |
| 61 | Q | A | -1.8726 | |
| 62 | G | A | -1.2930 | |
| 63 | L | A | 0.0000 | |
| 64 | E | A | -0.6620 | |
| 65 | W | A | 0.0000 | |
| 66 | M | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | Y | A | 0.2576 | |
| 69 | I | A | 0.0000 | |
| 70 | N | A | -0.8159 | |
| 71 | P | A | 0.0000 | |
| 72 | S | A | -1.6165 | |
| 73 | R | A | -1.7517 | |
| 74 | G | A | -0.9234 | |
| 75 | Y | A | 0.2480 | |
| 76 | T | A | 0.1048 | |
| 77 | N | A | -0.4514 | |
| 78 | Y | A | -1.2138 | |
| 79 | N | A | 0.0000 | |
| 80 | Q | A | -2.4618 | |
| 81 | K | A | -2.9140 | |
| 82 | F | A | 0.0000 | |
| 83 | K | A | -3.2600 | |
| 84 | D | A | -3.1041 | |
| 85 | R | A | -2.0628 | |
| 86 | V | A | 0.0000 | |
| 87 | T | A | -1.1933 | |
| 88 | M | A | 0.0000 | |
| 89 | T | A | -0.4623 | |
| 90 | R | A | -1.6081 | |
| 91 | D | A | -1.7480 | |
| 92 | K | A | -1.9863 | |
| 93 | S | A | -1.1732 | |
| 94 | T | A | -1.0789 | |
| 95 | S | A | -1.2384 | |
| 96 | T | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | Y | A | -0.8069 | |
| 99 | M | A | 0.0000 | |
| 100 | E | A | -1.7209 | |
| 101 | L | A | 0.0000 | |
| 102 | S | A | -1.2922 | |
| 103 | S | A | -1.2098 | |
| 104 | L | A | 0.0000 | |
| 105 | R | A | -2.6152 | |
| 106 | S | A | -2.3113 | |
| 107 | E | A | -2.6469 | |
| 108 | D | A | 0.0000 | |
| 109 | T | A | -0.8849 | |
| 110 | A | A | 0.0000 | |
| 111 | V | A | 0.1717 | |
| 112 | Y | A | 0.0000 | |
| 113 | Y | A | 0.0000 | |
| 114 | C | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | R | A | 0.0000 | |
| 117 | Y | A | 0.0000 | |
| 118 | Y | A | -1.0342 | |
| 119 | D | A | -2.1683 | |
| 120 | D | A | -2.4054 | |
| 121 | H | A | -1.5333 | |
| 122 | Y | A | -0.5975 | |
| 123 | C | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | D | A | -0.1060 | |
| 126 | Y | A | 0.1990 | |
| 127 | W | A | 0.0163 | |
| 128 | G | A | 0.0000 | |
| 129 | Q | A | -0.2426 | |
| 130 | G | A | 0.0000 | |
| 131 | T | A | 0.0000 | |
| 132 | L | A | 0.2319 | |
| 133 | V | A | 0.0000 | |
| 134 | T | A | -0.3477 | |
| 135 | V | A | 0.0000 | |
| 136 | S | A | -1.0992 | |
| 137 | S | A | -1.5743 | |
| 138 | G | A | -1.2571 | |
| 139 | G | A | -1.1115 | |
| 140 | G | A | -1.1830 | |
| 141 | G | A | -1.1521 | |
| 142 | S | A | -0.9546 | |
| 143 | G | A | -1.3912 | |
| 144 | G | A | -1.4451 | |
| 145 | G | A | -1.4444 | |
| 146 | G | A | -1.3845 | |
| 147 | S | A | -1.0302 | |
| 148 | G | A | -1.3539 | |
| 149 | G | A | -1.5735 | |
| 150 | G | A | -1.2032 | |
| 151 | G | A | -1.4023 | |
| 152 | S | A | -0.5701 | |
| 153 | D | A | -0.5380 | |
| 154 | L | A | 0.3768 | |
| 155 | V | A | 1.4865 | |
| 156 | L | A | 0.0000 | |
| 157 | T | A | -0.1678 | |
| 158 | Q | A | 0.0000 | |
| 159 | S | A | -0.4388 | |
| 160 | P | A | -0.2742 | |
| 161 | A | A | -0.3415 | |
| 162 | T | A | -0.2537 | |
| 163 | L | A | -0.3130 | |
| 164 | S | A | -0.8880 | |
| 165 | L | A | -1.2503 | |
| 166 | S | A | -1.7058 | |
| 167 | P | A | -1.4909 | |
| 168 | G | A | -1.7139 | |
| 169 | E | A | -2.3613 | |
| 170 | R | A | -2.6683 | |
| 171 | A | A | 0.0000 | |
| 172 | T | A | -0.6553 | |
| 173 | L | A | 0.0000 | |
| 174 | S | A | -0.6097 | |
| 175 | C | A | 0.0000 | |
| 176 | S | A | -0.7610 | |
| 177 | A | A | 0.0000 | |
| 178 | S | A | -0.0638 | |
| 179 | S | A | -0.3740 | |
| 180 | S | A | -0.7424 | |
| 181 | V | A | 0.0000 | |
| 182 | S | A | -0.2543 | |
| 183 | Y | A | 0.1040 | |
| 184 | M | A | 0.0000 | |
| 185 | N | A | 0.0000 | |
| 186 | W | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | Q | A | 0.0000 | |
| 189 | Q | A | 0.0000 | |
| 190 | K | A | -0.4896 | |
| 191 | P | A | -0.1484 | |
| 192 | G | A | -0.3190 | |
| 193 | Q | A | -0.5506 | |
| 194 | A | A | -0.4042 | |
| 195 | P | A | 0.0000 | |
| 196 | R | A | -1.3113 | |
| 197 | L | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | Y | A | -0.3856 | |
| 201 | D | A | -0.7565 | |
| 202 | T | A | -0.6322 | |
| 203 | S | A | -0.9396 | |
| 204 | K | A | -1.4178 | |
| 205 | L | A | -0.3216 | |
| 206 | A | A | -0.5362 | |
| 207 | S | A | -0.4954 | |
| 208 | G | A | -0.4862 | |
| 209 | I | A | 0.0000 | |
| 210 | P | A | -0.2190 | |
| 211 | A | A | -0.1105 | |
| 212 | R | A | -0.6597 | |
| 213 | F | A | 0.0000 | |
| 214 | S | A | -0.4712 | |
| 215 | G | A | 0.0000 | |
| 216 | S | A | -0.9797 | |
| 217 | G | A | -1.1265 | |
| 218 | S | A | -1.0423 | |
| 219 | G | A | -1.0007 | |
| 220 | T | A | -1.3182 | |
| 221 | D | A | -2.1684 | |
| 222 | F | A | 0.0000 | |
| 223 | T | A | -0.6981 | |
| 224 | L | A | 0.0000 | |
| 225 | T | A | -0.5914 | |
| 226 | I | A | 0.0000 | |
| 227 | S | A | -1.3616 | |
| 228 | S | A | -1.6864 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -1.7503 | |
| 231 | P | A | -0.8651 | |
| 232 | E | A | -0.9159 | |
| 233 | D | A | 0.0000 | |
| 234 | F | A | 0.0649 | |
| 235 | A | A | 0.0000 | |
| 236 | V | A | -0.0040 | |
| 237 | Y | A | 0.0000 | |
| 238 | Y | A | 0.0000 | |
| 239 | C | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | Q | A | 0.0000 | |
| 242 | W | A | 0.1638 | |
| 243 | S | A | -0.1873 | |
| 244 | S | A | -0.7226 | |
| 245 | N | A | -1.3543 | |
| 246 | P | A | 0.0000 | |
| 247 | F | A | -0.0264 | |
| 248 | T | A | 0.1629 | |
| 249 | F | A | 0.2119 | |
| 250 | G | A | 0.0000 | |
| 251 | Q | A | -1.1984 | |
| 252 | G | A | -0.8168 | |
| 253 | T | A | 0.0000 | |
| 254 | K | A | -0.5467 | |
| 255 | L | A | 0.0000 | |
| 256 | E | A | -0.8606 | |
| 257 | I | A | 0.0000 | |
| 258 | K | A | -2.2163 | |
| 259 | G | A | -1.9445 | |
| 260 | G | A | -1.5196 | |
| 261 | G | A | -1.6024 | |
| 262 | G | A | -1.0847 | |
| 263 | S | A | -1.2538 | |
| 264 | D | A | -1.4073 | |
| 265 | I | A | 0.0000 | |
| 266 | Q | A | -1.7929 | |
| 267 | M | A | 0.0000 | |
| 268 | S | A | -1.1921 | |
| 269 | Q | A | -0.6596 | |
| 270 | S | A | -0.5112 | |
| 271 | P | A | -0.3307 | |
| 272 | A | A | -0.3959 | |
| 273 | S | A | -0.8250 | |
| 274 | L | A | -0.6392 | |
| 275 | S | A | -1.2505 | |
| 276 | A | A | 0.0000 | |
| 277 | S | A | -1.2649 | |
| 278 | V | A | -0.5272 | |
| 279 | G | A | -0.8900 | |
| 280 | E | A | -1.5633 | |
| 281 | T | A | -1.0920 | |
| 282 | V | A | 0.0000 | |
| 283 | T | A | -0.5398 | |
| 284 | I | A | 0.0000 | |
| 285 | T | A | -0.8424 | |
| 286 | C | A | 0.0000 | |
| 287 | R | A | -2.1770 | |
| 288 | A | A | 0.0000 | |
| 289 | S | A | -1.4509 | |
| 290 | G | A | -1.4539 | |
| 291 | N | A | -1.3953 | |
| 292 | I | A | 0.0000 | |
| 293 | Y | A | -0.4754 | |
| 294 | N | A | -0.9550 | |
| 295 | Y | A | -0.3767 | |
| 296 | L | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | W | A | 0.0000 | |
| 299 | Y | A | 0.0000 | |
| 300 | Q | A | 0.0000 | |
| 301 | Q | A | 0.0000 | |
| 302 | K | A | -2.5169 | |
| 303 | Q | A | -2.3386 | |
| 304 | G | A | -2.1541 | |
| 305 | K | A | -2.9485 | |
| 306 | S | A | -1.7276 | |
| 307 | P | A | 0.0000 | |
| 308 | H | A | -1.1924 | |
| 309 | L | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | -0.5908 | |
| 313 | D | A | -1.4045 | |
| 314 | A | A | 0.0000 | |
| 315 | K | A | -1.9676 | |
| 316 | T | A | -1.0618 | |
| 317 | L | A | -0.4874 | |
| 318 | A | A | -1.0913 | |
| 319 | D | A | -1.8692 | |
| 320 | G | A | -1.2754 | |
| 321 | V | A | -0.7220 | |
| 322 | P | A | -0.5054 | |
| 323 | S | A | -0.3705 | |
| 324 | R | A | -0.7651 | |
| 325 | F | A | 0.0000 | |
| 326 | S | A | -1.0399 | |
| 327 | G | A | -1.2605 | |
| 328 | S | A | -1.4762 | |
| 329 | G | A | -1.4203 | |
| 330 | S | A | -1.2945 | |
| 331 | G | A | -0.9863 | |
| 332 | T | A | -1.4433 | |
| 333 | Q | A | -1.9823 | |
| 334 | Y | A | 0.0000 | |
| 335 | S | A | -1.1622 | |
| 336 | L | A | 0.0000 | |
| 337 | K | A | -1.3198 | |
| 338 | I | A | 0.0000 | |
| 339 | S | A | -1.0459 | |
| 340 | S | A | -0.8936 | |
| 341 | L | A | 0.0000 | |
| 342 | Q | A | -1.2669 | |
| 343 | T | A | -1.8780 | |
| 344 | E | A | -2.4523 | |
| 345 | D | A | 0.0000 | |
| 346 | S | A | -2.0298 | |
| 347 | G | A | 0.0000 | |
| 348 | N | A | -1.2254 | |
| 349 | Y | A | 0.0000 | |
| 350 | Y | A | 0.0000 | |
| 351 | C | A | 0.0000 | |
| 352 | Q | A | 0.0000 | |
| 353 | H | A | 0.0000 | |
| 354 | F | A | 0.0000 | |
| 355 | W | A | 0.1286 | |
| 356 | S | A | 0.1071 | |
| 357 | L | A | 0.4959 | |
| 358 | P | A | 0.0000 | |
| 359 | F | A | 0.0000 | |
| 360 | T | A | -0.4946 | |
| 361 | F | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | S | A | -0.8582 | |
| 364 | G | A | -0.6967 | |
| 365 | T | A | 0.0000 | |
| 366 | K | A | -1.4841 | |
| 367 | L | A | 0.0000 | |
| 368 | E | A | -2.6441 | |
| 369 | I | A | -2.0852 | |
| 370 | K | A | -2.2773 | |
| 371 | G | A | -1.6058 | |
| 372 | G | A | -1.7966 | |
| 373 | G | A | -1.2997 | |
| 374 | G | A | -1.3722 | |
| 375 | S | A | -1.1764 | |
| 376 | G | A | -1.4255 | |
| 377 | G | A | -1.4516 | |
| 378 | G | A | -1.1809 | |
| 379 | G | A | -1.1508 | |
| 380 | S | A | -1.0054 | |
| 381 | G | A | -1.4101 | |
| 382 | G | A | -1.4325 | |
| 383 | G | A | -1.4553 | |
| 384 | G | A | -1.5527 | |
| 385 | S | A | -1.6542 | |
| 386 | E | A | -2.5325 | |
| 387 | V | A | -1.3370 | |
| 388 | Q | A | -1.9594 | |
| 389 | L | A | 0.0000 | |
| 390 | Q | A | -2.0579 | |
| 391 | Q | A | 0.0000 | |
| 392 | S | A | -1.0928 | |
| 393 | G | A | -0.9473 | |
| 394 | A | A | -0.2009 | |
| 395 | E | A | -0.3431 | |
| 396 | L | A | 0.8414 | |
| 397 | V | A | -0.1161 | |
| 398 | R | A | -1.6110 | |
| 399 | P | A | -1.4554 | |
| 400 | G | A | -0.9115 | |
| 401 | A | A | -0.2994 | |
| 402 | L | A | 0.3570 | |
| 403 | V | A | 0.0000 | |
| 404 | K | A | -1.6195 | |
| 405 | L | A | 0.0000 | |
| 406 | S | A | -0.7965 | |
| 407 | C | A | 0.0000 | |
| 408 | K | A | -1.5070 | |
| 409 | T | A | 0.0000 | |
| 410 | S | A | -1.4268 | |
| 411 | G | A | -1.3712 | |
| 412 | F | A | -1.2451 | |
| 413 | N | A | -1.9000 | |
| 414 | I | A | 0.0000 | |
| 415 | K | A | -2.4069 | |
| 416 | D | A | -2.5154 | |
| 417 | Y | A | -1.1916 | |
| 418 | F | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | H | A | 0.0000 | |
| 421 | W | A | 0.0000 | |
| 422 | V | A | 0.0000 | |
| 423 | R | A | 0.0000 | |
| 424 | Q | A | -0.9986 | |
| 425 | R | A | -1.7545 | |
| 426 | P | A | -1.8015 | |
| 427 | D | A | -2.5569 | |
| 428 | Q | A | -2.3238 | |
| 429 | G | A | -1.3743 | |
| 430 | L | A | 0.0000 | |
| 431 | E | A | -0.8273 | |
| 432 | W | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | W | A | 0.0000 | |
| 436 | I | A | 0.0000 | |
| 437 | N | A | 0.0000 | |
| 438 | P | A | 0.0000 | |
| 439 | D | A | -1.7848 | |
| 440 | N | A | 0.0000 | |
| 441 | G | A | -0.7392 | |
| 442 | N | A | -0.2907 | |
| 443 | T | A | -0.0032 | |
| 444 | V | A | 0.2322 | |
| 445 | Y | A | -0.3340 | |
| 446 | D | A | 0.0000 | |
| 447 | P | A | -1.3819 | |
| 448 | K | A | -2.2080 | |
| 449 | F | A | 0.0000 | |
| 450 | Q | A | -1.9454 | |
| 451 | G | A | -1.4092 | |
| 452 | T | A | -0.9529 | |
| 453 | A | A | 0.0000 | |
| 454 | S | A | -0.6891 | |
| 455 | L | A | 0.0000 | |
| 456 | T | A | -0.2391 | |
| 457 | A | A | -0.7143 | |
| 458 | D | A | -1.0153 | |
| 459 | T | A | -1.1629 | |
| 460 | S | A | -0.5836 | |
| 461 | S | A | -0.7163 | |
| 462 | N | A | -1.0898 | |
| 463 | T | A | 0.0000 | |
| 464 | V | A | 0.0000 | |
| 465 | Y | A | -0.3954 | |
| 466 | L | A | 0.0000 | |
| 467 | Q | A | -0.7974 | |
| 468 | L | A | 0.0000 | |
| 469 | S | A | -0.3289 | |
| 470 | G | A | -0.7212 | |
| 471 | L | A | 0.0000 | |
| 472 | T | A | -1.4349 | |
| 473 | S | A | -1.5708 | |
| 474 | E | A | -2.1835 | |
| 475 | D | A | -1.3502 | |
| 476 | T | A | -0.7974 | |
| 477 | A | A | 0.0000 | |
| 478 | V | A | 0.0418 | |
| 479 | Y | A | 0.0000 | |
| 480 | F | A | 0.0000 | |
| 481 | C | A | 0.0000 | |
| 482 | T | A | 0.0000 | |
| 483 | R | A | 0.0000 | |
| 484 | R | A | -0.4250 | |
| 485 | D | A | -0.6864 | |
| 486 | Y | A | -0.1328 | |
| 487 | T | A | -0.3824 | |
| 488 | Y | A | -0.3225 | |
| 489 | E | A | -1.7194 | |
| 490 | K | A | -1.1605 | |
| 491 | A | A | -0.5327 | |
| 492 | A | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | D | A | -0.3395 | |
| 495 | Y | A | 0.1852 | |
| 496 | W | A | -0.5736 | |
| 497 | G | A | 0.0000 | |
| 498 | Q | A | -1.9718 | |
| 499 | G | A | -1.0783 | |
| 500 | T | A | 0.0000 | |
| 501 | T | A | -0.0942 | |
| 502 | V | A | 0.0000 | |
| 503 | T | A | -0.2124 | |
| 504 | V | A | 0.0000 | |
| 505 | S | A | -0.5806 | |
| 506 | S | A | -0.8577 |
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 | -0.5578 | 3.8328 | View | CSV | PDB |
| 4.5 | -0.6032 | 3.7449 | View | CSV | PDB |
| 5.0 | -0.6573 | 3.6383 | View | CSV | PDB |
| 5.5 | -0.7109 | 3.5238 | View | CSV | PDB |
| 6.0 | -0.7538 | 3.4066 | View | CSV | PDB |
| 6.5 | -0.7786 | 3.2887 | View | CSV | PDB |
| 7.0 | -0.7855 | 3.1707 | View | CSV | PDB |
| 7.5 | -0.7804 | 3.0535 | View | CSV | PDB |
| 8.0 | -0.7682 | 2.939 | View | CSV | PDB |
| 8.5 | -0.7498 | 2.8317 | View | CSV | PDB |
| 9.0 | -0.7241 | 2.7396 | 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