| Chain sequence(s) | GADGVGNASGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISSASTGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTTNDGVTTIANNLTSTVQVFSDSEYQLPYVLGSAHQGCLPPFPADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQNQSGSAQNKDLLFSRGSPAGMSVQPKNWLPGPCYRQQRVSKTKTDNNNSNFTWTGASKYNLNGRESIINPGTAMASHKDDKDKFFPMSGVMIFGKESAGASNTALDNVMITDEEEIKATNPVATERFGTVAVNLQSSSTDPATGDVHVMGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPPAEFSATKFASFITQYSTGQVSVEIEWELQKENSKRWNPEVQYTSNYAKSANVDFTVDNNGLYTEPRPIGTRYLTRPL input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:25)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/83f010b797d0bb/tmp/folded.pdb (00:04:25)
[INFO] Main: Simulation completed successfully. (00:12:40)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 15 | G | A | -0.9179 | |
| 16 | A | A | -1.1102 | |
| 17 | D | A | -1.8655 | |
| 18 | G | A | -0.8585 | |
| 19 | V | A | 0.4553 | |
| 20 | G | A | -0.6461 | |
| 21 | N | A | -1.5303 | |
| 22 | A | A | -1.0934 | |
| 23 | S | A | -1.1273 | |
| 24 | G | A | -1.1079 | |
| 25 | N | A | -1.1562 | |
| 26 | W | A | -0.3357 | |
| 27 | H | A | -1.2534 | |
| 28 | C | A | -1.0394 | |
| 29 | D | A | -1.7993 | |
| 30 | S | A | -0.7704 | |
| 31 | T | A | -0.0899 | |
| 32 | W | A | 0.1440 | |
| 33 | L | A | 0.5103 | |
| 34 | G | A | -0.8644 | |
| 35 | D | A | -1.9781 | |
| 36 | R | A | -1.1036 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.2441 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.4070 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6934 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.1055 | |
| 49 | T | A | -0.2388 | |
| 50 | Y | A | -0.2370 | |
| 51 | N | A | -0.7235 | |
| 52 | N | A | -1.0807 | |
| 53 | H | A | -0.3629 | |
| 54 | L | A | 0.0600 | |
| 55 | Y | A | -0.2216 | |
| 56 | K | A | -1.2103 | |
| 57 | Q | A | -0.9048 | |
| 58 | I | A | 0.1136 | |
| 59 | S | A | -0.0702 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.3039 | |
| 62 | S | A | -0.3777 | |
| 63 | T | A | -0.5796 | |
| 64 | G | A | -0.9159 | |
| 65 | A | A | -1.2047 | |
| 66 | S | A | -1.6929 | |
| 67 | N | A | -2.6314 | |
| 68 | D | A | -2.6401 | |
| 69 | N | A | -2.3517 | |
| 70 | H | A | -1.8719 | |
| 71 | Y | A | -0.1809 | |
| 72 | F | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | 0.2466 | |
| 75 | S | A | -0.2188 | |
| 76 | T | A | 0.0000 | |
| 77 | P | A | 0.0000 | |
| 78 | W | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | N | A | 0.0000 | |
| 85 | R | A | -0.5476 | |
| 86 | F | A | 0.0000 | |
| 87 | H | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | H | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | S | A | -1.0172 | |
| 92 | P | A | -1.3108 | |
| 93 | R | A | -2.3870 | |
| 94 | D | A | 0.0000 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -2.0312 | |
| 97 | R | A | -2.4301 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | 0.0000 | |
| 101 | N | A | -2.0936 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -0.9380 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -1.0437 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -2.3373 | |
| 109 | R | A | -2.1743 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -1.0250 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -0.8360 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -0.8529 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -0.8726 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.5430 | |
| 121 | E | A | -0.0721 | |
| 122 | V | A | 0.4786 | |
| 123 | T | A | 0.2638 | |
| 124 | T | A | -0.5042 | |
| 125 | N | A | -1.7798 | |
| 126 | D | A | -2.1088 | |
| 127 | G | A | -0.9266 | |
| 128 | V | A | 0.5015 | |
| 129 | T | A | 0.4176 | |
| 130 | T | A | 0.7263 | |
| 131 | I | A | 1.0065 | |
| 132 | A | A | -0.0311 | |
| 133 | N | A | -1.1279 | |
| 134 | N | A | -0.5555 | |
| 135 | L | A | 0.3839 | |
| 136 | T | A | 0.1623 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | -0.1003 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.3075 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4339 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.3436 | |
| 146 | E | A | -2.3153 | |
| 147 | Y | A | -1.3921 | |
| 148 | Q | A | -1.5680 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | 0.3539 | |
| 151 | Y | A | 0.0567 | |
| 152 | V | A | 0.3208 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.3849 | |
| 155 | S | A | -0.5498 | |
| 156 | A | A | -0.7606 | |
| 157 | H | A | -1.4053 | |
| 158 | Q | A | -1.6413 | |
| 159 | G | A | -0.6853 | |
| 160 | C | A | -0.4726 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | -0.0679 | |
| 163 | P | A | -0.1556 | |
| 164 | F | A | 0.4892 | |
| 165 | P | A | -0.0204 | |
| 166 | A | A | -0.1762 | |
| 167 | D | A | -0.4711 | |
| 168 | V | A | 1.2559 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3452 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | -0.2810 | |
| 173 | Q | A | -0.3266 | |
| 174 | Y | A | 0.0000 | |
| 175 | G | A | -0.0177 | |
| 176 | Y | A | 0.0000 | |
| 177 | L | A | 1.9143 | |
| 178 | T | A | 1.1682 | |
| 179 | L | A | 0.2287 | |
| 180 | N | A | -0.6544 | |
| 181 | N | A | -1.7624 | |
| 182 | G | A | -1.6627 | |
| 183 | S | A | -1.2001 | |
| 184 | Q | A | -1.4126 | |
| 185 | A | A | -0.7991 | |
| 186 | V | A | -0.5051 | |
| 187 | G | A | -0.9240 | |
| 188 | R | A | -1.5678 | |
| 189 | S | A | -0.2422 | |
| 190 | S | A | 0.6511 | |
| 191 | F | A | 1.6457 | |
| 192 | Y | A | 1.2524 | |
| 193 | C | A | 0.9638 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.1544 | |
| 196 | Y | A | 1.0844 | |
| 197 | F | A | 0.3290 | |
| 198 | P | A | -0.1652 | |
| 199 | S | A | -0.4275 | |
| 200 | Q | A | -0.7508 | |
| 201 | M | A | 0.2254 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -0.4685 | |
| 204 | T | A | -0.6582 | |
| 205 | G | A | 0.0000 | |
| 206 | N | A | -0.9375 | |
| 207 | N | A | -0.9128 | |
| 208 | F | A | 0.0000 | |
| 209 | T | A | -0.4099 | |
| 210 | F | A | -0.0932 | |
| 211 | S | A | -0.5702 | |
| 212 | Y | A | -0.6148 | |
| 213 | T | A | -1.3994 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.1263 | |
| 216 | D | A | -2.2120 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.4339 | |
| 219 | F | A | 0.0098 | |
| 220 | H | A | 0.0000 | |
| 221 | S | A | -0.1215 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.4321 | |
| 224 | A | A | -0.6088 | |
| 225 | H | A | -0.8202 | |
| 226 | S | A | -0.8990 | |
| 227 | Q | A | -0.9528 | |
| 228 | S | A | -0.9112 | |
| 229 | L | A | -0.5381 | |
| 230 | D | A | -1.5685 | |
| 231 | R | A | -1.4588 | |
| 232 | L | A | -0.5681 | |
| 233 | M | A | -0.5226 | |
| 234 | N | A | -0.5782 | |
| 235 | P | A | 0.1367 | |
| 236 | L | A | 1.6180 | |
| 237 | I | A | 1.5467 | |
| 238 | D | A | -0.6489 | |
| 239 | Q | A | 0.0312 | |
| 240 | Y | A | 1.3596 | |
| 241 | L | A | 1.2731 | |
| 242 | Y | A | 2.2120 | |
| 243 | Y | A | 1.6843 | |
| 244 | L | A | 1.8505 | |
| 245 | N | A | 0.5178 | |
| 246 | R | A | -0.5637 | |
| 247 | T | A | -0.9814 | |
| 248 | Q | A | -2.5899 | |
| 249 | N | A | -2.5440 | |
| 250 | Q | A | -2.2675 | |
| 251 | S | A | -1.5960 | |
| 252 | G | A | -1.4288 | |
| 253 | S | A | -1.0062 | |
| 254 | A | A | -1.6140 | |
| 255 | Q | A | -2.9146 | |
| 256 | N | A | -3.4377 | |
| 257 | K | A | -3.0083 | |
| 258 | D | A | -1.6161 | |
| 259 | L | A | 1.1753 | |
| 260 | L | A | 1.2114 | |
| 261 | F | A | 2.5373 | |
| 262 | S | A | 1.1981 | |
| 263 | R | A | 0.3162 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.1366 | |
| 266 | P | A | 0.0676 | |
| 267 | A | A | -0.0258 | |
| 268 | G | A | -0.1405 | |
| 269 | M | A | -0.3277 | |
| 270 | S | A | -0.2062 | |
| 271 | V | A | 0.6248 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.2521 | |
| 274 | K | A | -1.3426 | |
| 275 | N | A | -1.3520 | |
| 276 | W | A | 0.0095 | |
| 277 | L | A | 0.5154 | |
| 278 | P | A | 0.4347 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.6325 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | 0.6561 | |
| 283 | R | A | -0.6546 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.4570 | |
| 286 | R | A | -1.7783 | |
| 287 | V | A | -1.5790 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.8122 | |
| 290 | T | A | -1.8038 | |
| 291 | K | A | -2.7670 | |
| 292 | T | A | -2.2395 | |
| 293 | D | A | -2.8361 | |
| 294 | N | A | -2.8129 | |
| 295 | N | A | -2.8089 | |
| 296 | N | A | -2.6867 | |
| 297 | S | A | -1.7828 | |
| 298 | N | A | -1.6141 | |
| 299 | F | A | -0.6848 | |
| 300 | T | A | -0.0262 | |
| 301 | W | A | 0.3552 | |
| 302 | T | A | -0.0263 | |
| 303 | G | A | -0.4441 | |
| 304 | A | A | 0.0657 | |
| 305 | S | A | -0.0406 | |
| 306 | K | A | 0.1219 | |
| 307 | Y | A | 0.5471 | |
| 308 | N | A | -0.9749 | |
| 309 | L | A | -0.0628 | |
| 310 | N | A | -1.5246 | |
| 311 | G | A | -1.5159 | |
| 312 | R | A | -2.0438 | |
| 313 | E | A | -1.5579 | |
| 314 | S | A | -0.3652 | |
| 315 | I | A | 0.3668 | |
| 316 | I | A | 0.2552 | |
| 317 | N | A | -0.7608 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | T | A | 0.1191 | |
| 321 | A | A | 0.1802 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -3.0027 | |
| 327 | D | A | -3.7704 | |
| 328 | D | A | -3.8037 | |
| 329 | K | A | -3.6178 | |
| 330 | D | A | -3.8787 | |
| 331 | K | A | -2.5967 | |
| 332 | F | A | -2.0767 | |
| 333 | F | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | -0.5364 | |
| 336 | S | A | -0.3383 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 1.3300 | |
| 341 | F | A | 0.3740 | |
| 342 | G | A | -0.9247 | |
| 343 | K | A | -1.8429 | |
| 344 | E | A | -1.7890 | |
| 345 | S | A | -1.5297 | |
| 346 | A | A | -1.4672 | |
| 347 | G | A | -1.1812 | |
| 348 | A | A | -0.6130 | |
| 349 | S | A | -0.9409 | |
| 350 | N | A | -1.3683 | |
| 351 | T | A | -1.0358 | |
| 352 | A | A | -0.6038 | |
| 353 | L | A | -0.6111 | |
| 354 | D | A | -1.6385 | |
| 355 | N | A | -1.4808 | |
| 356 | V | A | -0.4694 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.4171 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.5503 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.8178 | |
| 363 | E | A | -2.2805 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -1.9312 | |
| 366 | A | A | -1.1976 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.6136 | |
| 370 | V | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -1.3899 | |
| 373 | E | A | -1.9780 | |
| 374 | R | A | -1.9789 | |
| 375 | F | A | -0.5314 | |
| 376 | G | A | -0.6566 | |
| 377 | T | A | -0.3072 | |
| 378 | V | A | 1.0342 | |
| 379 | A | A | 1.0387 | |
| 380 | V | A | 1.6426 | |
| 381 | N | A | 0.4042 | |
| 382 | L | A | 0.6189 | |
| 383 | Q | A | -1.2805 | |
| 384 | S | A | -1.1456 | |
| 385 | S | A | -1.2167 | |
| 386 | S | A | -1.0398 | |
| 387 | T | A | -1.4108 | |
| 388 | D | A | -2.3022 | |
| 389 | P | A | -1.1930 | |
| 390 | A | A | -0.0882 | |
| 391 | T | A | 0.2848 | |
| 392 | G | A | -0.3008 | |
| 393 | D | A | -1.6616 | |
| 394 | V | A | -0.6304 | |
| 395 | H | A | -0.5675 | |
| 396 | V | A | 1.2488 | |
| 397 | M | A | 0.7921 | |
| 398 | G | A | 0.3254 | |
| 399 | A | A | 0.4722 | |
| 400 | L | A | 0.6526 | |
| 401 | P | A | 0.2502 | |
| 402 | G | A | 0.0731 | |
| 403 | M | A | 0.6450 | |
| 404 | V | A | 1.0154 | |
| 405 | W | A | 0.3717 | |
| 406 | Q | A | -0.4228 | |
| 407 | D | A | -0.4427 | |
| 408 | R | A | 0.0000 | |
| 409 | D | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | Y | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | Q | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | P | A | -0.3624 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.5175 | |
| 419 | K | A | -1.3781 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -1.5905 | |
| 422 | H | A | -2.0588 | |
| 423 | T | A | -1.8250 | |
| 424 | D | A | -2.4751 | |
| 425 | G | A | -1.5893 | |
| 426 | H | A | -1.0109 | |
| 427 | F | A | 1.0074 | |
| 428 | H | A | -0.1110 | |
| 429 | P | A | -0.2927 | |
| 430 | S | A | -0.0567 | |
| 431 | P | A | 0.2594 | |
| 432 | L | A | 0.9653 | |
| 433 | M | A | 0.3639 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.0099 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.8284 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.6237 | |
| 440 | H | A | -2.2450 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | P | A | 0.0000 | |
| 444 | Q | A | 0.0000 | |
| 445 | I | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | K | A | 0.0000 | |
| 449 | N | A | 0.0000 | |
| 450 | T | A | 0.1498 | |
| 451 | P | A | 0.0038 | |
| 452 | V | A | 0.2972 | |
| 453 | P | A | 0.0317 | |
| 454 | A | A | -0.2928 | |
| 455 | N | A | -1.3261 | |
| 456 | P | A | -0.9241 | |
| 457 | P | A | -0.8437 | |
| 458 | A | A | -0.7480 | |
| 459 | E | A | -1.0156 | |
| 460 | F | A | 0.9088 | |
| 461 | S | A | 0.0880 | |
| 462 | A | A | 0.0535 | |
| 463 | T | A | -0.5079 | |
| 464 | K | A | -1.4558 | |
| 465 | F | A | -0.2879 | |
| 466 | A | A | -0.2620 | |
| 467 | S | A | -0.2881 | |
| 468 | F | A | 0.3249 | |
| 469 | I | A | 0.7543 | |
| 470 | T | A | 0.3586 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3493 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0249 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3236 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.6273 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.2347 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.3580 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.3924 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.7640 | |
| 487 | K | A | -2.4044 | |
| 488 | E | A | -2.4589 | |
| 489 | N | A | -2.6180 | |
| 490 | S | A | -2.1108 | |
| 491 | K | A | -2.2832 | |
| 492 | R | A | -1.5044 | |
| 493 | W | A | 0.1009 | |
| 494 | N | A | -0.2378 | |
| 495 | P | A | -0.1733 | |
| 496 | E | A | 0.1807 | |
| 497 | V | A | 1.2615 | |
| 498 | Q | A | -0.0345 | |
| 499 | Y | A | -0.2801 | |
| 500 | T | A | -0.2619 | |
| 501 | S | A | -0.4925 | |
| 502 | N | A | -0.9185 | |
| 503 | Y | A | 0.2341 | |
| 504 | A | A | -0.6227 | |
| 505 | K | A | -1.5813 | |
| 506 | S | A | -1.0210 | |
| 507 | A | A | -0.6440 | |
| 508 | N | A | -0.7316 | |
| 509 | V | A | 0.5990 | |
| 510 | D | A | -0.2361 | |
| 511 | F | A | 0.0158 | |
| 512 | T | A | 0.5978 | |
| 513 | V | A | 0.5793 | |
| 514 | D | A | -0.7805 | |
| 515 | N | A | -1.9212 | |
| 516 | N | A | -1.6734 | |
| 517 | G | A | -0.8229 | |
| 518 | L | A | 0.3891 | |
| 519 | Y | A | 0.2967 | |
| 520 | T | A | 0.0955 | |
| 521 | E | A | 0.0000 | |
| 522 | P | A | -0.5792 | |
| 523 | R | A | -0.6940 | |
| 524 | P | A | -0.1850 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2441 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.2627 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.3913 | |
| 532 | R | A | -1.3245 | |
| 533 | P | A | -0.3535 | |
| 534 | L | A | 0.6798 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.1005 | 4.6873 | View | CSV | PDB |
| 4.5 | -0.1494 | 4.6711 | View | CSV | PDB |
| 5.0 | -0.2046 | 4.6531 | View | CSV | PDB |
| 5.5 | -0.2584 | 4.6345 | View | CSV | PDB |
| 6.0 | -0.303 | 4.6157 | View | CSV | PDB |
| 6.5 | -0.333 | 4.5968 | View | CSV | PDB |
| 7.0 | -0.35 | 4.5781 | View | CSV | PDB |
| 7.5 | -0.3592 | 4.5596 | View | CSV | PDB |
| 8.0 | -0.3631 | 4.5422 | View | CSV | PDB |
| 8.5 | -0.3594 | 4.5272 | View | CSV | PDB |
| 9.0 | -0.3452 | 4.5165 | 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