| Chain sequence(s) |
A: MEPAVGGPGPLIVNNKQPQPPPPPPPAAAQPPPGAPRAAAGLLPGGKAREFNRNQRKDSEGYSESPDLEFEYADTDKWAAELSELYSYTEGPEFLMNRKCFEEDFRIHVTDKKWTELDTNQHRTHAMRLLDGLEVTAREKRLKVARAILYVAQGTFGECSSEAEVQSWMRYNIFLLLEVGTFNALVELLNMEIDNSAACSSAVRKPAISLADSTDLRVLLNIMYLIVETVHQECEGDKAEWRTMRQTFRAELGSPLYNNEPFAIMLFGMVTKFCSGHAPHFPMKKVLLLLWKTVLCTLGGFEELQSMKAEKRSILGLPPLPEDSIKVIRNMRAASPPASASDLIEQQQKRGRREHKALIKQDNLDAFNERDPYKADDSREEEEENDDDNSLEGETFPLERDEVMPPPLQHPQTDRLTCPKGLPWAPKVREKDIEMFLESSRSKFIGYTLGSDTNTVVGLPRPIHESIKTLKQHKYTSIAEVQAQMEEEYLRSPLSGGEEEVEQVPAETLYQGLLPSLPQYMIALLKILLAAAPTSKAKTDSINILADVLPEEMPTTVLQSMKLGVDVNRHKEVIVKAISAVLLLLLKHFKLNHVYQFEYMAQHLVFANCIPLILKFFNQNIMSYITAKNSISVLDYPHCVVHELPELTAESLEAGDSNQFCWRNLFSCINLLRILNKLTKWKHSRTMMLVVFKSAPILKRALKVKQAMMQLYVLKLLKVQTKYLGRQWRKSNMKTMSAIYQKVRHRLNDDWAYGNDLDARPWDFQAEECALRANIERFNARRYDRAHSNPDFLPVDNCLQSVLGQRVDLPEDFQMNYDLWLEREVFSKPISWEELLQ
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:03)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/53bf1dc9fc55ee7/tmp/folded.pdb (00:12:03)
[INFO] Main: Simulation completed successfully. (00:15:41)
|
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 | 0.1201 | |
| 2 | E | A | -1.2243 | |
| 3 | P | A | -0.4959 | |
| 4 | A | A | 0.1799 | |
| 5 | V | A | 1.1598 | |
| 6 | G | A | 0.0465 | |
| 7 | G | A | -0.4885 | |
| 8 | P | A | -0.4709 | |
| 9 | G | A | -0.2827 | |
| 10 | P | A | 0.9171 | |
| 11 | L | A | 2.6071 | |
| 12 | I | A | 2.9840 | |
| 13 | V | A | 1.9586 | |
| 14 | N | A | -0.8826 | |
| 15 | N | A | -2.2867 | |
| 16 | K | A | -3.2652 | |
| 17 | Q | A | -2.9920 | |
| 18 | P | A | -2.1001 | |
| 19 | Q | A | -2.0824 | |
| 20 | P | A | -1.2558 | |
| 21 | P | A | -0.9188 | |
| 22 | P | A | -0.8168 | |
| 23 | P | A | -0.6917 | |
| 24 | P | A | -0.6490 | |
| 25 | P | A | -0.5722 | |
| 26 | P | A | -0.4234 | |
| 27 | A | A | -0.2894 | |
| 28 | A | A | -0.3203 | |
| 29 | A | A | -0.6114 | |
| 30 | Q | A | -1.3638 | |
| 31 | P | A | -1.0375 | |
| 32 | P | A | -0.8811 | |
| 33 | P | A | -0.7926 | |
| 34 | G | A | -0.8839 | |
| 35 | A | A | -0.8136 | |
| 36 | P | A | -1.2046 | |
| 37 | R | A | -1.9573 | |
| 38 | A | A | -0.9121 | |
| 39 | A | A | -0.2873 | |
| 40 | A | A | 0.1725 | |
| 41 | G | A | 0.6778 | |
| 42 | L | A | 1.9930 | |
| 43 | L | A | 1.9874 | |
| 44 | P | A | 0.3591 | |
| 45 | G | A | -0.6635 | |
| 46 | G | A | -2.1728 | |
| 47 | K | A | -2.7133 | |
| 48 | A | A | -2.0472 | |
| 49 | R | A | -3.3203 | |
| 50 | E | A | -3.2183 | |
| 51 | F | A | -1.0426 | |
| 52 | N | A | -2.7996 | |
| 53 | R | A | -4.1592 | |
| 54 | N | A | -3.5337 | |
| 55 | Q | A | -3.7635 | |
| 56 | R | A | -4.8565 | |
| 57 | K | A | -4.8007 | |
| 58 | D | A | -4.2051 | |
| 59 | S | A | -3.0103 | |
| 60 | E | A | -2.9994 | |
| 61 | G | A | -1.6266 | |
| 62 | Y | A | 0.0388 | |
| 63 | S | A | -1.1698 | |
| 64 | E | A | -1.8464 | |
| 65 | S | A | -1.1550 | |
| 66 | P | A | -1.4169 | |
| 67 | D | A | -1.6980 | |
| 68 | L | A | 0.0000 | |
| 69 | E | A | -2.3561 | |
| 70 | F | A | -1.7219 | |
| 71 | E | A | -2.1489 | |
| 72 | Y | A | 0.0000 | |
| 73 | A | A | -0.9292 | |
| 74 | D | A | -0.5338 | |
| 75 | T | A | -0.6535 | |
| 76 | D | A | -1.2709 | |
| 77 | K | A | -1.7344 | |
| 78 | W | A | -0.8114 | |
| 79 | A | A | -0.7220 | |
| 80 | A | A | -0.6243 | |
| 81 | E | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | S | A | 0.0000 | |
| 84 | E | A | 0.0000 | |
| 85 | L | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | S | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | T | A | -0.4095 | |
| 90 | E | A | 0.0000 | |
| 91 | G | A | -0.1035 | |
| 92 | P | A | -0.0464 | |
| 93 | E | A | -0.2277 | |
| 94 | F | A | 0.0000 | |
| 95 | L | A | 0.7389 | |
| 96 | M | A | -0.0383 | |
| 97 | N | A | 0.0000 | |
| 98 | R | A | -1.0900 | |
| 99 | K | A | -2.2697 | |
| 100 | C | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | E | A | -2.5306 | |
| 103 | E | A | -3.0267 | |
| 104 | D | A | -2.0722 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -1.9317 | |
| 107 | I | A | 0.4506 | |
| 108 | H | A | -0.3733 | |
| 109 | V | A | 0.0000 | |
| 110 | T | A | -1.5000 | |
| 111 | D | A | -2.8031 | |
| 112 | K | A | -3.1525 | |
| 113 | K | A | -2.8233 | |
| 114 | W | A | 0.0000 | |
| 115 | T | A | -1.6522 | |
| 116 | E | A | -2.8365 | |
| 117 | L | A | -2.4195 | |
| 118 | D | A | -2.7613 | |
| 119 | T | A | -2.0098 | |
| 120 | N | A | -2.2817 | |
| 121 | Q | A | -1.9085 | |
| 122 | H | A | 0.0000 | |
| 123 | R | A | -1.9411 | |
| 124 | T | A | -1.0643 | |
| 125 | H | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | M | A | -1.0644 | |
| 128 | R | A | -2.0409 | |
| 129 | L | A | 0.0000 | |
| 130 | L | A | -1.3512 | |
| 131 | D | A | -2.6501 | |
| 132 | G | A | -2.0728 | |
| 133 | L | A | 0.0000 | |
| 134 | E | A | -2.5747 | |
| 135 | V | A | -1.8156 | |
| 136 | T | A | -1.3226 | |
| 137 | A | A | -1.9531 | |
| 138 | R | A | -3.2242 | |
| 139 | E | A | -3.5059 | |
| 140 | K | A | -3.3767 | |
| 141 | R | A | -2.7022 | |
| 142 | L | A | -1.8156 | |
| 143 | K | A | -2.4490 | |
| 144 | V | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | R | A | 0.0000 | |
| 147 | A | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | Y | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | Q | A | 0.0000 | |
| 154 | G | A | 0.0000 | |
| 155 | T | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | G | A | -0.1783 | |
| 158 | E | A | -0.6800 | |
| 159 | C | A | -0.6303 | |
| 160 | S | A | -0.6415 | |
| 161 | S | A | -0.9603 | |
| 162 | E | A | -1.3148 | |
| 163 | A | A | -1.0710 | |
| 164 | E | A | -1.5039 | |
| 165 | V | A | 0.0000 | |
| 166 | Q | A | -1.1057 | |
| 167 | S | A | -0.8227 | |
| 168 | W | A | -0.4249 | |
| 169 | M | A | 0.0000 | |
| 170 | R | A | -0.3312 | |
| 171 | Y | A | 0.0996 | |
| 172 | N | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | L | A | -0.9147 | |
| 178 | E | A | -1.8025 | |
| 179 | V | A | 0.0000 | |
| 180 | G | A | -0.9629 | |
| 181 | T | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | N | A | -1.6697 | |
| 184 | A | A | -1.4843 | |
| 185 | L | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | E | A | -1.4291 | |
| 188 | L | A | -0.8255 | |
| 189 | L | A | 0.0000 | |
| 190 | N | A | -0.8879 | |
| 191 | M | A | -0.5434 | |
| 192 | E | A | 0.0000 | |
| 193 | I | A | -0.8691 | |
| 194 | D | A | -1.7685 | |
| 195 | N | A | -1.0516 | |
| 196 | S | A | -0.8817 | |
| 197 | A | A | -0.3861 | |
| 198 | A | A | -0.1613 | |
| 199 | C | A | -0.4374 | |
| 200 | S | A | -0.2937 | |
| 201 | S | A | -0.4565 | |
| 202 | A | A | 0.0000 | |
| 203 | V | A | 0.2726 | |
| 204 | R | A | -1.5813 | |
| 205 | K | A | -1.5713 | |
| 206 | P | A | -0.8824 | |
| 207 | A | A | -0.7694 | |
| 208 | I | A | 0.0000 | |
| 209 | S | A | -0.8044 | |
| 210 | L | A | 0.0000 | |
| 211 | A | A | -0.7675 | |
| 212 | D | A | -0.7001 | |
| 213 | S | A | 0.0000 | |
| 214 | T | A | -0.1801 | |
| 215 | D | A | -0.6663 | |
| 216 | L | A | 0.0000 | |
| 217 | R | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | N | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | M | A | 0.0000 | |
| 224 | Y | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | E | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | H | A | -1.0290 | |
| 232 | Q | A | -1.1811 | |
| 233 | E | A | -2.4863 | |
| 234 | C | A | -1.9861 | |
| 235 | E | A | -2.4748 | |
| 236 | G | A | -1.8500 | |
| 237 | D | A | 0.0000 | |
| 238 | K | A | -2.5337 | |
| 239 | A | A | -1.9058 | |
| 240 | E | A | -2.5642 | |
| 241 | W | A | -2.3028 | |
| 242 | R | A | -2.5609 | |
| 243 | T | A | -1.8358 | |
| 244 | M | A | -1.6459 | |
| 245 | R | A | -1.9259 | |
| 246 | Q | A | -1.9588 | |
| 247 | T | A | -1.3320 | |
| 248 | F | A | 0.0000 | |
| 249 | R | A | -1.4961 | |
| 250 | A | A | -1.3279 | |
| 251 | E | A | -1.9716 | |
| 252 | L | A | 0.0000 | |
| 253 | G | A | -0.7761 | |
| 254 | S | A | -1.0234 | |
| 255 | P | A | -1.4635 | |
| 256 | L | A | -1.2099 | |
| 257 | Y | A | -1.2978 | |
| 258 | N | A | -1.9935 | |
| 259 | N | A | -2.2493 | |
| 260 | E | A | -1.9094 | |
| 261 | P | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | M | A | -0.2011 | |
| 266 | L | A | 0.0000 | |
| 267 | F | A | 0.0000 | |
| 268 | G | A | -0.3395 | |
| 269 | M | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | T | A | -0.5897 | |
| 272 | K | A | -0.9105 | |
| 273 | F | A | 0.0000 | |
| 274 | C | A | 0.0000 | |
| 275 | S | A | -0.9709 | |
| 276 | G | A | -0.8761 | |
| 277 | H | A | -1.1037 | |
| 278 | A | A | 0.0000 | |
| 279 | P | A | -0.2492 | |
| 280 | H | A | 0.0000 | |
| 281 | F | A | 0.0000 | |
| 282 | P | A | 0.0000 | |
| 283 | M | A | 0.0000 | |
| 284 | K | A | 0.0000 | |
| 285 | K | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | W | A | 0.0000 | |
| 292 | K | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | C | A | 0.0000 | |
| 297 | T | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | G | A | 0.0000 | |
| 300 | G | A | -1.1040 | |
| 301 | F | A | 0.0000 | |
| 302 | E | A | -2.5747 | |
| 303 | E | A | -2.1743 | |
| 304 | L | A | 0.0000 | |
| 305 | Q | A | -1.7396 | |
| 306 | S | A | -1.7132 | |
| 307 | M | A | -1.3880 | |
| 308 | K | A | -1.3500 | |
| 309 | A | A | -1.1192 | |
| 310 | E | A | -1.6350 | |
| 311 | K | A | -0.5891 | |
| 312 | R | A | 0.0000 | |
| 313 | S | A | -0.0677 | |
| 314 | I | A | 1.4085 | |
| 315 | L | A | 0.8939 | |
| 316 | G | A | 0.0899 | |
| 317 | L | A | 0.1272 | |
| 318 | P | A | -0.3497 | |
| 319 | P | A | -0.6496 | |
| 320 | L | A | -0.1571 | |
| 321 | P | A | -0.3911 | |
| 322 | E | A | -0.7470 | |
| 323 | D | A | -1.1396 | |
| 324 | S | A | -0.8735 | |
| 325 | I | A | -1.4184 | |
| 326 | K | A | -2.3131 | |
| 327 | V | A | -1.4145 | |
| 328 | I | A | 0.0000 | |
| 329 | R | A | -2.7099 | |
| 330 | N | A | -2.4235 | |
| 331 | M | A | -1.8521 | |
| 332 | R | A | -2.3686 | |
| 333 | A | A | -1.2538 | |
| 334 | A | A | -0.9936 | |
| 335 | S | A | -0.9734 | |
| 336 | P | A | -0.9835 | |
| 337 | P | A | -0.8397 | |
| 338 | A | A | -0.6097 | |
| 339 | S | A | -0.5864 | |
| 340 | A | A | -0.0011 | |
| 341 | S | A | -0.6786 | |
| 342 | D | A | -1.7422 | |
| 343 | L | A | -0.1461 | |
| 344 | I | A | -0.2472 | |
| 345 | E | A | -3.0037 | |
| 346 | Q | A | -3.3111 | |
| 347 | Q | A | -3.4332 | |
| 348 | Q | A | -4.1530 | |
| 349 | K | A | -4.6032 | |
| 350 | R | A | -5.1581 | |
| 351 | G | A | -4.5800 | |
| 352 | R | A | -4.9481 | |
| 353 | R | A | -5.1348 | |
| 354 | E | A | -4.3723 | |
| 355 | H | A | -3.3487 | |
| 356 | K | A | -2.5891 | |
| 357 | A | A | -0.2114 | |
| 358 | L | A | 1.2737 | |
| 359 | I | A | 1.4993 | |
| 360 | K | A | -1.5784 | |
| 361 | Q | A | -2.5663 | |
| 362 | D | A | -3.1119 | |
| 363 | N | A | -2.2521 | |
| 364 | L | A | -0.1376 | |
| 365 | D | A | -1.1038 | |
| 366 | A | A | 0.1149 | |
| 367 | F | A | 0.5430 | |
| 368 | N | A | -1.5785 | |
| 369 | E | A | -3.3687 | |
| 370 | R | A | -3.5833 | |
| 371 | D | A | -3.1529 | |
| 372 | P | A | -1.2781 | |
| 373 | Y | A | -0.3529 | |
| 374 | K | A | -1.7229 | |
| 375 | A | A | -1.7207 | |
| 376 | D | A | -3.0468 | |
| 377 | D | A | -3.1376 | |
| 378 | S | A | -2.8620 | |
| 379 | R | A | -3.7109 | |
| 380 | E | A | -4.1425 | |
| 381 | E | A | -4.4333 | |
| 382 | E | A | -4.4650 | |
| 383 | E | A | -4.3129 | |
| 384 | E | A | -4.0812 | |
| 385 | N | A | -3.8233 | |
| 386 | D | A | -4.2553 | |
| 387 | D | A | -4.1411 | |
| 388 | D | A | -3.7932 | |
| 389 | N | A | -2.4740 | |
| 390 | S | A | -0.8853 | |
| 391 | L | A | -0.0394 | |
| 392 | E | A | -1.8228 | |
| 393 | G | A | -1.8116 | |
| 394 | E | A | -1.9160 | |
| 395 | T | A | -0.1988 | |
| 396 | F | A | 1.4343 | |
| 397 | P | A | 0.4896 | |
| 398 | L | A | 0.3193 | |
| 399 | E | A | -2.3997 | |
| 400 | R | A | -3.4866 | |
| 401 | D | A | -3.2573 | |
| 402 | E | A | -2.1980 | |
| 403 | V | A | 0.6839 | |
| 404 | M | A | 0.9699 | |
| 405 | P | A | 0.4695 | |
| 406 | P | A | 0.1748 | |
| 407 | P | A | 0.0046 | |
| 408 | L | A | 0.4662 | |
| 409 | Q | A | -1.2732 | |
| 410 | H | A | -1.6225 | |
| 411 | P | A | -1.6640 | |
| 412 | Q | A | -2.5553 | |
| 413 | T | A | -2.0577 | |
| 414 | D | A | -2.6199 | |
| 415 | R | A | -2.2366 | |
| 416 | L | A | 0.1016 | |
| 417 | T | A | -0.0497 | |
| 418 | C | A | 0.1012 | |
| 419 | P | A | -0.6377 | |
| 420 | K | A | -1.8227 | |
| 421 | G | A | -1.3020 | |
| 422 | L | A | -0.5759 | |
| 423 | P | A | -0.5193 | |
| 424 | W | A | 0.0000 | |
| 425 | A | A | -0.3813 | |
| 426 | P | A | -0.5741 | |
| 427 | K | A | -1.2042 | |
| 428 | V | A | 0.0000 | |
| 429 | R | A | -2.9543 | |
| 430 | E | A | -3.0413 | |
| 431 | K | A | -2.5940 | |
| 432 | D | A | -2.1573 | |
| 433 | I | A | 0.0000 | |
| 434 | E | A | -1.8690 | |
| 435 | M | A | -0.8755 | |
| 436 | F | A | -0.4937 | |
| 437 | L | A | 0.0000 | |
| 438 | E | A | -1.7004 | |
| 439 | S | A | -0.9643 | |
| 440 | S | A | 0.0000 | |
| 441 | R | A | 0.0000 | |
| 442 | S | A | -0.5647 | |
| 443 | K | A | -1.2261 | |
| 444 | F | A | 0.6656 | |
| 445 | I | A | 1.0393 | |
| 446 | G | A | 0.0695 | |
| 447 | Y | A | 1.0203 | |
| 448 | T | A | 0.0535 | |
| 449 | L | A | 0.3935 | |
| 450 | G | A | -0.4015 | |
| 451 | S | A | -1.1614 | |
| 452 | D | A | -1.0104 | |
| 453 | T | A | -1.4519 | |
| 454 | N | A | -1.2298 | |
| 455 | T | A | 0.0514 | |
| 456 | V | A | 0.5335 | |
| 457 | V | A | 1.6296 | |
| 458 | G | A | 0.6578 | |
| 459 | L | A | 0.0000 | |
| 460 | P | A | -0.8300 | |
| 461 | R | A | -2.4529 | |
| 462 | P | A | -1.9239 | |
| 463 | I | A | -1.3349 | |
| 464 | H | A | -1.8476 | |
| 465 | E | A | -3.0949 | |
| 466 | S | A | -1.8727 | |
| 467 | I | A | 0.0000 | |
| 468 | K | A | -3.0987 | |
| 469 | T | A | -2.0669 | |
| 470 | L | A | 0.0000 | |
| 471 | K | A | -2.9407 | |
| 472 | Q | A | -2.3719 | |
| 473 | H | A | -1.8207 | |
| 474 | K | A | -2.2941 | |
| 475 | Y | A | -1.0642 | |
| 476 | T | A | -0.6531 | |
| 477 | S | A | -0.1828 | |
| 478 | I | A | 0.0000 | |
| 479 | A | A | -0.2538 | |
| 480 | E | A | -0.6531 | |
| 481 | V | A | -0.0781 | |
| 482 | Q | A | 0.0000 | |
| 483 | A | A | -0.8596 | |
| 484 | Q | A | -1.3599 | |
| 485 | M | A | -0.9195 | |
| 486 | E | A | 0.0000 | |
| 487 | E | A | -2.2419 | |
| 488 | E | A | -2.6964 | |
| 489 | Y | A | -1.1799 | |
| 490 | L | A | -0.9165 | |
| 491 | R | A | -2.1083 | |
| 492 | S | A | -1.0494 | |
| 493 | P | A | -0.1260 | |
| 494 | L | A | 1.0830 | |
| 495 | S | A | -0.3083 | |
| 496 | G | A | -1.2135 | |
| 497 | G | A | -1.6913 | |
| 498 | E | A | -2.8765 | |
| 499 | E | A | -2.8018 | |
| 500 | E | A | -3.1467 | |
| 501 | V | A | -2.2396 | |
| 502 | E | A | -2.6847 | |
| 503 | Q | A | -2.0156 | |
| 504 | V | A | -0.6728 | |
| 505 | P | A | -0.5102 | |
| 506 | A | A | 0.0000 | |
| 507 | E | A | 0.0000 | |
| 508 | T | A | -0.7538 | |
| 509 | L | A | 0.0000 | |
| 510 | Y | A | 0.0000 | |
| 511 | Q | A | -0.5083 | |
| 512 | G | A | -0.6362 | |
| 513 | L | A | 0.0000 | |
| 514 | L | A | -0.0492 | |
| 515 | P | A | -0.4033 | |
| 516 | S | A | -0.5451 | |
| 517 | L | A | 0.0000 | |
| 518 | P | A | -0.1137 | |
| 519 | Q | A | -0.8938 | |
| 520 | Y | A | 0.0000 | |
| 521 | M | A | 0.0000 | |
| 522 | I | A | 0.6160 | |
| 523 | A | A | 0.0000 | |
| 524 | L | A | 0.0000 | |
| 525 | L | A | 0.0000 | |
| 526 | K | A | -0.3019 | |
| 527 | I | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | L | A | 0.2922 | |
| 530 | A | A | 0.0000 | |
| 531 | A | A | 0.0000 | |
| 532 | A | A | 0.0000 | |
| 533 | P | A | -0.6593 | |
| 534 | T | A | -0.8067 | |
| 535 | S | A | -1.2089 | |
| 536 | K | A | -2.4018 | |
| 537 | A | A | -1.8884 | |
| 538 | K | A | -2.4469 | |
| 539 | T | A | -1.6227 | |
| 540 | D | A | -1.6429 | |
| 541 | S | A | -0.9393 | |
| 542 | I | A | -0.6090 | |
| 543 | N | A | -0.8708 | |
| 544 | I | A | 0.0000 | |
| 545 | L | A | -0.0089 | |
| 546 | A | A | 0.0000 | |
| 547 | D | A | 0.0000 | |
| 548 | V | A | 0.0000 | |
| 549 | L | A | -0.1299 | |
| 550 | P | A | -1.1100 | |
| 551 | E | A | -2.4589 | |
| 552 | E | A | -2.2309 | |
| 553 | M | A | -0.5106 | |
| 554 | P | A | -0.2413 | |
| 555 | T | A | 0.0651 | |
| 556 | T | A | 0.6472 | |
| 557 | V | A | 1.6017 | |
| 558 | L | A | 0.5567 | |
| 559 | Q | A | -0.1626 | |
| 560 | S | A | 0.2950 | |
| 561 | M | A | 0.1050 | |
| 562 | K | A | -0.3492 | |
| 563 | L | A | 0.0472 | |
| 564 | G | A | -0.3853 | |
| 565 | V | A | -0.7557 | |
| 566 | D | A | 0.0000 | |
| 567 | V | A | -0.2265 | |
| 568 | N | A | -1.1548 | |
| 569 | R | A | 0.0000 | |
| 570 | H | A | 0.0000 | |
| 571 | K | A | -0.5594 | |
| 572 | E | A | 0.0000 | |
| 573 | V | A | 0.0000 | |
| 574 | I | A | 0.0000 | |
| 575 | V | A | 0.0000 | |
| 576 | K | A | 0.0000 | |
| 577 | A | A | 0.0000 | |
| 578 | I | A | 0.0000 | |
| 579 | S | A | 0.0000 | |
| 580 | A | A | 0.0000 | |
| 581 | V | A | 0.0000 | |
| 582 | L | A | 0.0000 | |
| 583 | L | A | 0.0000 | |
| 584 | L | A | 0.0000 | |
| 585 | L | A | 0.0000 | |
| 586 | L | A | 0.0000 | |
| 587 | K | A | -0.4930 | |
| 588 | H | A | 0.0000 | |
| 589 | F | A | 0.0000 | |
| 590 | K | A | -0.6634 | |
| 591 | L | A | 0.0000 | |
| 592 | N | A | -0.4933 | |
| 593 | H | A | 0.0000 | |
| 594 | V | A | -0.0879 | |
| 595 | Y | A | 0.0000 | |
| 596 | Q | A | 0.0000 | |
| 597 | F | A | 0.0000 | |
| 598 | E | A | 0.0000 | |
| 599 | Y | A | -0.2544 | |
| 600 | M | A | 0.0000 | |
| 601 | A | A | 0.0000 | |
| 602 | Q | A | 0.0000 | |
| 603 | H | A | 0.3978 | |
| 604 | L | A | 0.0000 | |
| 605 | V | A | 0.0000 | |
| 606 | F | A | 1.4273 | |
| 607 | A | A | 0.3318 | |
| 608 | N | A | -0.6306 | |
| 609 | C | A | 0.0000 | |
| 610 | I | A | 0.0000 | |
| 611 | P | A | -0.4150 | |
| 612 | L | A | 0.0000 | |
| 613 | I | A | 0.0000 | |
| 614 | L | A | 0.0000 | |
| 615 | K | A | -1.2080 | |
| 616 | F | A | 0.0000 | |
| 617 | F | A | 0.0000 | |
| 618 | N | A | -2.0879 | |
| 619 | Q | A | -1.7691 | |
| 620 | N | A | -1.8717 | |
| 621 | I | A | 0.0000 | |
| 622 | M | A | -0.6014 | |
| 623 | S | A | -0.7059 | |
| 624 | Y | A | 0.0000 | |
| 625 | I | A | 0.0000 | |
| 626 | T | A | -0.7529 | |
| 627 | A | A | -1.1726 | |
| 628 | K | A | -2.3792 | |
| 629 | N | A | -1.4467 | |
| 630 | S | A | -0.8987 | |
| 631 | I | A | 0.0000 | |
| 632 | S | A | -0.3604 | |
| 633 | V | A | 0.0314 | |
| 634 | L | A | 0.1782 | |
| 635 | D | A | -0.2137 | |
| 636 | Y | A | 0.0000 | |
| 637 | P | A | 0.0000 | |
| 638 | H | A | -0.5834 | |
| 639 | C | A | -0.2978 | |
| 640 | V | A | 0.0162 | |
| 641 | V | A | -0.6326 | |
| 642 | H | A | -1.1816 | |
| 643 | E | A | -1.9465 | |
| 644 | L | A | -0.8517 | |
| 645 | P | A | -1.2375 | |
| 646 | E | A | -1.8874 | |
| 647 | L | A | -0.8944 | |
| 648 | T | A | -1.2214 | |
| 649 | A | A | -1.0551 | |
| 650 | E | A | -2.4482 | |
| 651 | S | A | -1.8833 | |
| 652 | L | A | 0.0000 | |
| 653 | E | A | -2.8477 | |
| 654 | A | A | -1.8756 | |
| 655 | G | A | -2.1185 | |
| 656 | D | A | -2.2295 | |
| 657 | S | A | -1.6812 | |
| 658 | N | A | -2.3017 | |
| 659 | Q | A | -2.1966 | |
| 660 | F | A | -1.2083 | |
| 661 | C | A | 0.0000 | |
| 662 | W | A | -0.3543 | |
| 663 | R | A | -0.1035 | |
| 664 | N | A | 0.0000 | |
| 665 | L | A | 0.0000 | |
| 666 | F | A | 0.0000 | |
| 667 | S | A | 0.0000 | |
| 668 | C | A | 0.0000 | |
| 669 | I | A | 0.0000 | |
| 670 | N | A | 0.0000 | |
| 671 | L | A | 0.0000 | |
| 672 | L | A | 0.0000 | |
| 673 | R | A | 0.0000 | |
| 674 | I | A | 0.0000 | |
| 675 | L | A | 0.0000 | |
| 676 | N | A | -0.4493 | |
| 677 | K | A | -0.6164 | |
| 678 | L | A | 0.0000 | |
| 679 | T | A | 0.0000 | |
| 680 | K | A | -0.8322 | |
| 681 | W | A | 0.3419 | |
| 682 | K | A | -0.6526 | |
| 683 | H | A | -1.1293 | |
| 684 | S | A | -0.8179 | |
| 685 | R | A | 0.0000 | |
| 686 | T | A | 0.0000 | |
| 687 | M | A | 0.0000 | |
| 688 | M | A | 0.7443 | |
| 689 | L | A | 0.0000 | |
| 690 | V | A | 1.0241 | |
| 691 | V | A | 1.8193 | |
| 692 | F | A | 1.0976 | |
| 693 | K | A | -0.4740 | |
| 694 | S | A | 0.0000 | |
| 695 | A | A | 0.0000 | |
| 696 | P | A | -0.9532 | |
| 697 | I | A | -1.2043 | |
| 698 | L | A | 0.0000 | |
| 699 | K | A | -0.9618 | |
| 700 | R | A | -1.7907 | |
| 701 | A | A | 0.0000 | |
| 702 | L | A | 0.0000 | |
| 703 | K | A | -1.2541 | |
| 704 | V | A | 0.0000 | |
| 705 | K | A | 0.0000 | |
| 706 | Q | A | 0.0000 | |
| 707 | A | A | -1.1379 | |
| 708 | M | A | 0.0000 | |
| 709 | M | A | 0.0000 | |
| 710 | Q | A | 0.0000 | |
| 711 | L | A | 0.0000 | |
| 712 | Y | A | -0.0684 | |
| 713 | V | A | 0.0000 | |
| 714 | L | A | 0.0000 | |
| 715 | K | A | -0.5859 | |
| 716 | L | A | 0.0000 | |
| 717 | L | A | 0.0000 | |
| 718 | K | A | 0.0000 | |
| 719 | V | A | 0.0791 | |
| 720 | Q | A | 0.0000 | |
| 721 | T | A | 0.0000 | |
| 722 | K | A | -1.1029 | |
| 723 | Y | A | 0.0000 | |
| 724 | L | A | -0.6065 | |
| 725 | G | A | 0.0000 | |
| 726 | R | A | -2.6787 | |
| 727 | Q | A | -2.6628 | |
| 728 | W | A | -1.4501 | |
| 729 | R | A | -1.6806 | |
| 730 | K | A | -2.5374 | |
| 731 | S | A | -1.4621 | |
| 732 | N | A | 0.0000 | |
| 733 | M | A | -0.1633 | |
| 734 | K | A | -0.9475 | |
| 735 | T | A | 0.0000 | |
| 736 | M | A | 0.0000 | |
| 737 | S | A | -0.3555 | |
| 738 | A | A | 0.0000 | |
| 739 | I | A | 0.0000 | |
| 740 | Y | A | -0.2541 | |
| 741 | Q | A | -1.1357 | |
| 742 | K | A | -1.0339 | |
| 743 | V | A | 0.0000 | |
| 744 | R | A | -0.7721 | |
| 745 | H | A | -0.9643 | |
| 746 | R | A | -1.3657 | |
| 747 | L | A | -0.6514 | |
| 748 | N | A | -1.6779 | |
| 749 | D | A | -1.7192 | |
| 750 | D | A | -2.0459 | |
| 751 | W | A | 0.0000 | |
| 752 | A | A | 0.0000 | |
| 753 | Y | A | -0.1549 | |
| 754 | G | A | -1.1230 | |
| 755 | N | A | -1.8867 | |
| 756 | D | A | -2.0184 | |
| 757 | L | A | -0.7550 | |
| 758 | D | A | -1.9916 | |
| 759 | A | A | -1.4805 | |
| 760 | R | A | -1.0179 | |
| 761 | P | A | -0.2406 | |
| 762 | W | A | -0.0196 | |
| 763 | D | A | -1.2565 | |
| 764 | F | A | -1.2115 | |
| 765 | Q | A | -1.4905 | |
| 766 | A | A | -1.1539 | |
| 767 | E | A | -2.1681 | |
| 768 | E | A | -1.4340 | |
| 769 | C | A | -0.4911 | |
| 770 | A | A | -0.7132 | |
| 771 | L | A | -1.1540 | |
| 772 | R | A | -1.6029 | |
| 773 | A | A | -1.4386 | |
| 774 | N | A | -1.6917 | |
| 775 | I | A | 0.0000 | |
| 776 | E | A | -3.1046 | |
| 777 | R | A | -3.0337 | |
| 778 | F | A | 0.0000 | |
| 779 | N | A | -1.8517 | |
| 780 | A | A | -2.4380 | |
| 781 | R | A | -2.7183 | |
| 782 | R | A | -2.2501 | |
| 783 | Y | A | 0.0000 | |
| 784 | D | A | -2.5094 | |
| 785 | R | A | -2.7983 | |
| 786 | A | A | -1.6926 | |
| 787 | H | A | -1.8846 | |
| 788 | S | A | -1.2058 | |
| 789 | N | A | -1.0012 | |
| 790 | P | A | -0.3944 | |
| 791 | D | A | -0.6344 | |
| 792 | F | A | 1.6669 | |
| 793 | L | A | 1.3677 | |
| 794 | P | A | 0.7700 | |
| 795 | V | A | 1.1183 | |
| 796 | D | A | -0.5211 | |
| 797 | N | A | -0.8008 | |
| 798 | C | A | 0.4282 | |
| 799 | L | A | 1.3636 | |
| 800 | Q | A | -0.0473 | |
| 801 | S | A | 0.1418 | |
| 802 | V | A | 1.3505 | |
| 803 | L | A | 1.5506 | |
| 804 | G | A | -0.1955 | |
| 805 | Q | A | -1.3252 | |
| 806 | R | A | -1.5267 | |
| 807 | V | A | 0.3466 | |
| 808 | D | A | -1.0982 | |
| 809 | L | A | -0.0328 | |
| 810 | P | A | -1.1665 | |
| 811 | E | A | -2.7831 | |
| 812 | D | A | -2.5044 | |
| 813 | F | A | -1.1982 | |
| 814 | Q | A | -1.6430 | |
| 815 | M | A | -0.7876 | |
| 816 | N | A | -1.1014 | |
| 817 | Y | A | -0.7861 | |
| 818 | D | A | -1.6959 | |
| 819 | L | A | -0.7413 | |
| 820 | W | A | -0.9636 | |
| 821 | L | A | -1.2460 | |
| 822 | E | A | -2.3860 | |
| 823 | R | A | -3.0306 | |
| 824 | E | A | -2.5205 | |
| 825 | V | A | -0.4304 | |
| 826 | F | A | 0.5323 | |
| 827 | S | A | -1.1784 | |
| 828 | K | A | -1.6976 | |
| 829 | P | A | 0.2482 | |
| 830 | I | A | 1.7155 | |
| 831 | S | A | 0.4032 | |
| 832 | W | A | 0.9496 | |
| 833 | E | A | -1.1784 | |
| 834 | E | A | -1.2473 | |
| 835 | L | A | 1.0926 | |
| 836 | L | A | 0.8164 | |
| 837 | Q | A | -0.7975 |
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 | -0.4452 | 5.9553 | View | CSV | PDB |
| 4.5 | -0.5318 | 5.7871 | View | CSV | PDB |
| 5.0 | -0.6414 | 5.5948 | View | CSV | PDB |
| 5.5 | -0.755 | 5.3961 | View | CSV | PDB |
| 6.0 | -0.8528 | 5.202 | View | CSV | PDB |
| 6.5 | -0.9197 | 5.0177 | View | CSV | PDB |
| 7.0 | -0.9515 | 4.8387 | View | CSV | PDB |
| 7.5 | -0.9571 | 4.8223 | View | CSV | PDB |
| 8.0 | -0.9477 | 4.8223 | View | CSV | PDB |
| 8.5 | -0.928 | 4.8223 | View | CSV | PDB |
| 9.0 | -0.8978 | 4.8223 | 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