| Chain sequence(s) | ADGVGNSSGNWHCDSQWLGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKKLSFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFQFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQGTTSGTTNQSRLLFSQAGPQSMSLQARNWLPGPCYRQQRLSKTANDNNNSNFPWTAASKYHLNGRDSLVNPGPAMASHKDDEEKFFPMHGNLIFGKEGTTASNAELDNVMITDEEEIRTTNPVATEQYGTVANNLQSSNTAPTTRTVNDQGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQIMIKNTPVPANPPTTFSPAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNL 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:11)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3709b4a4d4ede8/tmp/folded.pdb (00:04:11)
[INFO] Main: Simulation completed successfully. (00:13:02)
|
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 | |
| 16 | A | A | -1.0108 | |
| 17 | D | A | -1.6113 | |
| 18 | G | A | -0.8581 | |
| 19 | V | A | 0.6225 | |
| 20 | G | A | -0.5761 | |
| 21 | N | A | -1.5758 | |
| 22 | S | A | -1.4273 | |
| 23 | S | A | 0.0000 | |
| 24 | G | A | -1.3565 | |
| 25 | N | A | -1.2064 | |
| 26 | W | A | -0.2869 | |
| 27 | H | A | -1.0566 | |
| 28 | C | A | -0.7347 | |
| 29 | D | A | -1.3972 | |
| 30 | S | A | -0.9074 | |
| 31 | Q | A | -0.8197 | |
| 32 | W | A | -0.5065 | |
| 33 | L | A | -0.2637 | |
| 34 | G | A | -1.5031 | |
| 35 | D | A | -2.6782 | |
| 36 | R | A | -1.9212 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.6958 | |
| 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 | 0.5972 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6985 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0653 | |
| 49 | T | A | -0.2896 | |
| 50 | Y | A | -0.3265 | |
| 51 | N | A | -0.9347 | |
| 52 | N | A | -1.1941 | |
| 53 | H | A | -0.4846 | |
| 54 | L | A | -0.2496 | |
| 55 | Y | A | -0.4429 | |
| 56 | K | A | -1.5004 | |
| 57 | Q | A | -1.0271 | |
| 58 | I | A | -0.2451 | |
| 59 | S | A | -0.4411 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5469 | |
| 62 | S | A | -1.1084 | |
| 63 | G | A | -1.2945 | |
| 64 | A | A | -1.5854 | |
| 65 | S | A | -1.9657 | |
| 66 | N | A | -2.8246 | |
| 67 | D | A | -2.8584 | |
| 68 | N | A | -2.5838 | |
| 69 | H | A | -2.1578 | |
| 70 | Y | A | -0.3300 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | 0.2105 | |
| 74 | S | A | -0.3669 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | W | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | N | A | 0.0000 | |
| 84 | R | A | -0.5318 | |
| 85 | F | A | 0.0000 | |
| 86 | H | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | H | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | S | A | -0.9240 | |
| 91 | P | A | -1.3448 | |
| 92 | R | A | -2.4142 | |
| 93 | D | A | 0.0000 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -2.1243 | |
| 96 | R | A | -2.4579 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | -1.3856 | |
| 100 | N | A | -2.3630 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.9369 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -1.9362 | |
| 108 | K | A | -2.1332 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | -1.0631 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.4528 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.2307 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.1545 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.4774 | |
| 120 | E | A | -0.0409 | |
| 121 | V | A | 0.0588 | |
| 122 | T | A | -0.6397 | |
| 123 | Q | A | -2.2169 | |
| 124 | N | A | -2.8975 | |
| 125 | D | A | -2.9310 | |
| 126 | G | A | -2.0947 | |
| 127 | T | A | -1.6892 | |
| 128 | T | A | -0.9144 | |
| 129 | T | A | -0.0217 | |
| 130 | I | A | 0.7844 | |
| 131 | A | A | -0.0351 | |
| 132 | N | A | -1.0976 | |
| 133 | N | A | -0.6023 | |
| 134 | L | A | 0.3469 | |
| 135 | T | A | -0.2405 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | -0.3711 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.4228 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.5363 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.3226 | |
| 145 | E | A | -2.3082 | |
| 146 | Y | A | -1.5363 | |
| 147 | Q | A | -1.5919 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.3585 | |
| 150 | Y | A | 0.0534 | |
| 151 | V | A | 0.3570 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.3079 | |
| 154 | S | A | -0.4947 | |
| 155 | A | A | -0.6972 | |
| 156 | H | A | -1.2479 | |
| 157 | Q | A | -1.5650 | |
| 158 | G | A | -0.6441 | |
| 159 | C | A | -0.4301 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | 0.0000 | |
| 162 | P | A | 0.1740 | |
| 163 | F | A | 1.0888 | |
| 164 | P | A | 0.4476 | |
| 165 | A | A | 0.3892 | |
| 166 | D | A | 0.5326 | |
| 167 | V | A | 1.7475 | |
| 168 | F | A | 0.0000 | |
| 169 | M | A | 1.3430 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.2519 | |
| 172 | Q | A | -0.3461 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | -0.0427 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 1.9721 | |
| 177 | T | A | 1.2876 | |
| 178 | L | A | 0.4439 | |
| 179 | N | A | -0.6377 | |
| 180 | N | A | -1.8046 | |
| 181 | G | A | -1.9162 | |
| 182 | S | A | -1.5275 | |
| 183 | Q | A | -1.4234 | |
| 184 | A | A | -1.0407 | |
| 185 | V | A | -0.7719 | |
| 186 | G | A | -1.0352 | |
| 187 | R | A | -1.5934 | |
| 188 | S | A | -0.2242 | |
| 189 | S | A | 0.7104 | |
| 190 | F | A | 1.7248 | |
| 191 | Y | A | 1.3137 | |
| 192 | C | A | 1.0104 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.1043 | |
| 195 | Y | A | 1.1038 | |
| 196 | F | A | 0.3358 | |
| 197 | P | A | -0.1727 | |
| 198 | S | A | -0.4606 | |
| 199 | Q | A | -1.0336 | |
| 200 | M | A | -0.0474 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.2897 | |
| 203 | T | A | -1.0813 | |
| 204 | G | A | 0.0000 | |
| 205 | N | A | -1.3282 | |
| 206 | N | A | -1.7335 | |
| 207 | F | A | 0.0000 | |
| 208 | Q | A | -1.5681 | |
| 209 | F | A | -0.5589 | |
| 210 | S | A | -0.7714 | |
| 211 | Y | A | -0.5545 | |
| 212 | T | A | -1.2996 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0798 | |
| 215 | D | A | -2.1891 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.5308 | |
| 218 | F | A | -0.0807 | |
| 219 | H | A | -0.1293 | |
| 220 | S | A | -0.1123 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | -0.3156 | |
| 223 | A | A | 0.0000 | |
| 224 | H | A | -0.9311 | |
| 225 | S | A | -0.9859 | |
| 226 | Q | A | -1.2024 | |
| 227 | S | A | -1.2669 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -2.0763 | |
| 230 | R | A | -2.1889 | |
| 231 | L | A | -0.5485 | |
| 232 | M | A | -0.3245 | |
| 233 | N | A | -0.1200 | |
| 234 | P | A | 0.1176 | |
| 235 | L | A | 1.7511 | |
| 236 | I | A | 1.7094 | |
| 237 | D | A | -0.5970 | |
| 238 | Q | A | 0.2390 | |
| 239 | Y | A | 1.4932 | |
| 240 | L | A | 1.6890 | |
| 241 | Y | A | 2.5238 | |
| 242 | Y | A | 1.7479 | |
| 243 | L | A | 1.8162 | |
| 244 | N | A | 0.2500 | |
| 245 | R | A | -1.0080 | |
| 246 | T | A | -1.1632 | |
| 247 | Q | A | -2.5802 | |
| 248 | G | A | 0.0000 | |
| 249 | T | A | -1.2911 | |
| 250 | T | A | -0.9819 | |
| 251 | S | A | -0.6702 | |
| 252 | G | A | -0.7962 | |
| 253 | T | A | -0.8850 | |
| 254 | T | A | -1.2868 | |
| 255 | N | A | -2.5982 | |
| 256 | Q | A | -2.6026 | |
| 257 | S | A | -2.2119 | |
| 258 | R | A | -2.0597 | |
| 259 | L | A | 0.5173 | |
| 260 | L | A | 1.0252 | |
| 261 | F | A | 2.3941 | |
| 262 | S | A | 1.3072 | |
| 263 | Q | A | 0.4984 | |
| 264 | A | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -0.4770 | |
| 267 | Q | A | -1.3677 | |
| 268 | S | A | 0.0000 | |
| 269 | M | A | -0.6303 | |
| 270 | S | A | -0.3096 | |
| 271 | L | A | 0.9417 | |
| 272 | Q | A | 0.0000 | |
| 273 | A | A | 0.0911 | |
| 274 | R | A | -1.0924 | |
| 275 | N | A | -1.1995 | |
| 276 | W | A | 0.3009 | |
| 277 | L | A | 0.7346 | |
| 278 | P | A | 0.4941 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | -0.2183 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | -1.2036 | |
| 283 | R | A | -1.7284 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.1568 | |
| 286 | R | A | -1.4973 | |
| 287 | L | A | -1.3003 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.8687 | |
| 290 | T | A | -1.3645 | |
| 291 | A | A | -1.5637 | |
| 292 | N | A | -2.5514 | |
| 293 | D | A | -2.7302 | |
| 294 | N | A | -2.6565 | |
| 295 | N | A | -2.7972 | |
| 296 | N | A | -2.6708 | |
| 297 | S | A | -1.8345 | |
| 298 | N | A | -1.5928 | |
| 299 | F | A | -0.5770 | |
| 300 | P | A | 0.0803 | |
| 301 | W | A | 0.6954 | |
| 302 | T | A | 0.2029 | |
| 303 | A | A | -0.1031 | |
| 304 | A | A | 0.0766 | |
| 305 | S | A | -0.2329 | |
| 306 | K | A | -0.1502 | |
| 307 | Y | A | 0.4214 | |
| 308 | H | A | -0.8005 | |
| 309 | L | A | -0.0041 | |
| 310 | N | A | -1.4872 | |
| 311 | G | A | -1.6465 | |
| 312 | R | A | -2.2004 | |
| 313 | D | A | -1.5495 | |
| 314 | S | A | -0.5813 | |
| 315 | L | A | -0.0076 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -0.8884 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | P | A | -0.0334 | |
| 321 | A | A | 0.0213 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -3.1193 | |
| 327 | D | A | -3.8127 | |
| 328 | D | A | -3.7644 | |
| 329 | E | A | -3.3223 | |
| 330 | E | A | -3.8216 | |
| 331 | K | A | -2.5604 | |
| 332 | F | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | H | A | -0.4959 | |
| 337 | G | A | 0.0000 | |
| 338 | N | A | 0.0000 | |
| 339 | L | A | 0.6134 | |
| 340 | I | A | 1.4564 | |
| 341 | F | A | 0.2899 | |
| 342 | G | A | -1.1774 | |
| 343 | K | A | -2.4167 | |
| 344 | E | A | -2.4766 | |
| 345 | G | A | -1.6190 | |
| 346 | T | A | -1.8927 | |
| 347 | T | A | -1.1570 | |
| 348 | A | A | -0.4628 | |
| 349 | S | A | -1.0365 | |
| 350 | N | A | -1.7157 | |
| 351 | A | A | -1.8641 | |
| 352 | E | A | -2.3947 | |
| 353 | L | A | -1.2399 | |
| 354 | D | A | -2.3452 | |
| 355 | N | A | -2.2394 | |
| 356 | V | A | -0.8970 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.4290 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.4064 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.3358 | |
| 363 | E | A | -1.5816 | |
| 364 | I | A | 0.0000 | |
| 365 | R | A | -1.6193 | |
| 366 | T | A | -1.0994 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -1.2008 | |
| 373 | E | A | -1.3598 | |
| 374 | Q | A | -1.5652 | |
| 375 | Y | A | -0.8836 | |
| 376 | G | A | -0.7114 | |
| 377 | T | A | -0.4743 | |
| 378 | V | A | 0.1043 | |
| 379 | A | A | -0.6027 | |
| 380 | N | A | -1.6782 | |
| 381 | N | A | -0.9388 | |
| 382 | L | A | 0.3246 | |
| 383 | Q | A | -1.2038 | |
| 384 | S | A | -1.0409 | |
| 385 | S | A | -1.1877 | |
| 386 | N | A | -1.6726 | |
| 387 | T | A | -1.0224 | |
| 388 | A | A | -0.6952 | |
| 389 | P | A | -0.8962 | |
| 390 | T | A | -0.9122 | |
| 391 | T | A | -1.2036 | |
| 392 | R | A | -1.9000 | |
| 393 | T | A | -1.2949 | |
| 394 | V | A | 0.0000 | |
| 395 | N | A | -2.1260 | |
| 396 | D | A | -2.4338 | |
| 397 | Q | A | -1.3713 | |
| 398 | G | A | -0.7312 | |
| 399 | A | A | 0.3845 | |
| 400 | L | A | 0.7073 | |
| 401 | P | A | 0.3399 | |
| 402 | G | A | 0.2165 | |
| 403 | M | A | 0.0000 | |
| 404 | V | A | 1.0184 | |
| 405 | W | A | 0.3504 | |
| 406 | Q | A | -0.3855 | |
| 407 | D | A | -0.5102 | |
| 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 | -0.3661 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.2699 | |
| 419 | K | A | -0.8208 | |
| 420 | I | A | -0.9481 | |
| 421 | P | A | -1.2699 | |
| 422 | H | A | -1.8193 | |
| 423 | T | A | -1.7448 | |
| 424 | D | A | -2.4236 | |
| 425 | G | A | -1.4587 | |
| 426 | H | A | -0.7108 | |
| 427 | F | A | 1.1157 | |
| 428 | H | A | -0.0818 | |
| 429 | P | A | -0.1325 | |
| 430 | S | A | 0.0154 | |
| 431 | P | A | 0.2417 | |
| 432 | L | A | 0.8547 | |
| 433 | M | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.0702 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.5596 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -1.6330 | |
| 440 | H | A | -1.6353 | |
| 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 | M | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | K | A | 0.0000 | |
| 449 | N | A | 0.0000 | |
| 450 | T | A | 0.1965 | |
| 451 | P | A | 0.1485 | |
| 452 | V | A | 0.5262 | |
| 453 | P | A | 0.1960 | |
| 454 | A | A | -0.2407 | |
| 455 | N | A | -1.3224 | |
| 456 | P | A | -0.6125 | |
| 457 | P | A | -0.3335 | |
| 458 | T | A | -0.0053 | |
| 459 | T | A | 0.6738 | |
| 460 | F | A | 1.6651 | |
| 461 | S | A | 0.4003 | |
| 462 | P | A | -0.1635 | |
| 463 | A | A | -0.4513 | |
| 464 | K | A | -1.2983 | |
| 465 | F | A | 0.1097 | |
| 466 | A | A | -0.0563 | |
| 467 | S | A | -0.2101 | |
| 468 | F | A | 0.3222 | |
| 469 | I | A | 0.5942 | |
| 470 | T | A | 0.1548 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3450 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0471 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3724 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.3705 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.3000 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.6564 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -2.3061 | |
| 487 | K | A | -3.3187 | |
| 488 | E | A | -2.6064 | |
| 489 | N | A | -2.7189 | |
| 490 | S | A | -2.2318 | |
| 491 | K | A | -2.3572 | |
| 492 | R | A | -1.7607 | |
| 493 | W | A | -0.1225 | |
| 494 | N | A | -0.8631 | |
| 495 | P | A | -0.3419 | |
| 496 | E | A | 0.1761 | |
| 497 | I | A | 1.3887 | |
| 498 | Q | A | -0.3016 | |
| 499 | Y | A | -0.4401 | |
| 500 | T | A | -0.3535 | |
| 501 | S | A | -0.8471 | |
| 502 | N | A | -1.2863 | |
| 503 | Y | A | -0.3813 | |
| 504 | N | A | -1.9251 | |
| 505 | K | A | -1.8814 | |
| 506 | S | A | -0.5359 | |
| 507 | V | A | 0.9615 | |
| 508 | N | A | 0.0413 | |
| 509 | V | A | 0.9223 | |
| 510 | D | A | 0.0148 | |
| 511 | F | A | 0.1022 | |
| 512 | T | A | 0.7309 | |
| 513 | V | A | 0.7945 | |
| 514 | D | A | -0.2640 | |
| 515 | T | A | -0.8856 | |
| 516 | N | A | -1.2198 | |
| 517 | G | A | -0.5184 | |
| 518 | V | A | 0.3088 | |
| 519 | Y | A | 0.4162 | |
| 520 | S | A | -0.3447 | |
| 521 | E | A | -0.8945 | |
| 522 | P | A | -0.9071 | |
| 523 | R | A | -0.8703 | |
| 524 | P | A | -0.3995 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2480 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.2806 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.5131 | |
| 532 | R | A | -1.7023 | |
| 533 | N | A | -1.3130 | |
| 534 | L | A | -0.0110 |
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 | -0.1813 | 4.8866 | View | CSV | PDB |
| 4.5 | -0.2225 | 4.8866 | View | CSV | PDB |
| 5.0 | -0.2704 | 4.8866 | View | CSV | PDB |
| 5.5 | -0.3172 | 4.8866 | View | CSV | PDB |
| 6.0 | -0.3555 | 4.8866 | View | CSV | PDB |
| 6.5 | -0.3809 | 4.8866 | View | CSV | PDB |
| 7.0 | -0.3949 | 4.8866 | View | CSV | PDB |
| 7.5 | -0.4025 | 4.8866 | View | CSV | PDB |
| 8.0 | -0.406 | 4.8866 | View | CSV | PDB |
| 8.5 | -0.4045 | 4.8866 | View | CSV | PDB |
| 9.0 | -0.3958 | 4.8866 | 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