| Chain sequence(s) |
A: MVRNKSACVVLLFSLFLSFGLLCSAKDFPGRRGDDDPPKRYEDCRRRCEWDTRGQKEQQQCEESCKSQYGEKDQQQRHRPEDPQRRYEECQQECRQQEERQRPQCQQRCLKRFEQEQQQSQRQFQECQQHCHQQEQRPERKQQCVRECRERYQENPWRREREEEAEEEETEEGEQEQSHNPFHFHRRSFQSRFREEHGNFRVLQRFASRHPILRGINEFRLSILEANPNTFVLPHHCDAEKIYLVTNGRGTLTFLTHENKESYNVVPGVVVRVPAGSTVYLANQDNKEKLIIAVLHRPVNNPRQFEEFFPAGSQRPQSYLRAFSREILEPAFNTRSEQLDELFGGRQSHRRQQGQGMFRKASQEQIRALSQEATSPREKSGERFAFNLLYRTPRYSNQNGRFYEACPREFRQLSDINVTVSALQLNQGSIFVPHYNSKATFVVLVNEGNGYVEMVSPHLPRQSSFEEEEEQQQEQEQEEERRSGQYRKIRSQLSRGDIFVVPANFPVTFVASQNQNLRMTGFGLYNQNINPDHNQRIFVAGKINHVRQWDSQAKELAFGVSSRLVDEIFNNNPQESYFVSRQRQRASE
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage |
A: MVRNKSACVVLLFSLFLSFGLLCSAKDFPGRRG DDDPPKRYEDCRRRCEWDTRGQKEQQQCEESCKSQYGEKDQQQRHRPEDPQRRYEECQQECRQQEERQRPQCQQRCLKRFEQEQQQSQRQFQECQQHCHQQEQRPERKQQCVRECRERYQENPWRREREEEAEEEETEEGEQEQSHNPFHFHRRSFQSRFREEHGNFRVLQRFASRHPILRGINEFRLSILEANPNTFVLPHHCDAEKIYLVTNGRGTLTFLTHENKESYNVVPGVVVRVPAGSTVYLANQDNKEKLIIAVLHRPVNNPRQFEEFFPAGSQRPQSYLRAFSREILEPAFNTRSEQLDELFGGRQSHRRQQGQGMFRKASQEQIRALSQEATSPREKSGERFAFNLLYRTPRYSNQNGRFYEACPREFRQLSDINVTVSALQLNQGSIFVPHYNSKATFVVLVNEGNGYVEMVSPHLPRQSSFEEEEEQQQEQEQEEERRSGQYRKIRSQLSRGDIFVVPANFPVTFVASQNQNLRMTGFGLYNQNINPDHNQRIFVAGKINHVRQWDSQAKELAFGVSSRLVDEIFNNNPQESYFVSRQRQRASE(Red indicates removed residues) |
| 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: Running AlphaCutter (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:16)
[INFO] FoldX: Starting FoldX energy minimization (00:00:17)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7ea8966df878f7c/tmp/folded.pdb (00:17:01)
[INFO] Main: Simulation completed successfully. (00:25:25)
|
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 |
|---|---|---|---|---|
| 34 | D | A | -2.1051 | |
| 35 | D | A | -2.3719 | |
| 36 | D | A | -1.8232 | |
| 37 | P | A | -0.4082 | |
| 38 | P | A | -0.5598 | |
| 39 | K | A | -1.8616 | |
| 40 | R | A | -1.6002 | |
| 41 | Y | A | -0.3628 | |
| 42 | E | A | -1.7230 | |
| 43 | D | A | -0.9107 | |
| 44 | C | A | -0.0962 | |
| 45 | R | A | -1.1735 | |
| 46 | R | A | -2.3599 | |
| 47 | R | A | -2.1729 | |
| 48 | C | A | 0.0000 | |
| 49 | E | A | -1.6076 | |
| 50 | W | A | 0.5393 | |
| 51 | D | A | -1.5777 | |
| 52 | T | A | -0.6557 | |
| 53 | R | A | -1.8717 | |
| 54 | G | A | -0.6939 | |
| 55 | Q | A | -1.5266 | |
| 56 | K | A | -2.0827 | |
| 57 | E | A | -1.3366 | |
| 58 | Q | A | -0.8819 | |
| 59 | Q | A | -1.4732 | |
| 60 | Q | A | -1.3798 | |
| 61 | C | A | -0.1676 | |
| 62 | E | A | -0.8796 | |
| 63 | E | A | -1.9455 | |
| 64 | S | A | -0.4180 | |
| 65 | C | A | 0.0000 | |
| 66 | K | A | -1.6338 | |
| 67 | S | A | -0.6848 | |
| 68 | Q | A | -1.1450 | |
| 69 | Y | A | 0.2809 | |
| 70 | G | A | -0.5002 | |
| 71 | E | A | -2.1390 | |
| 72 | K | A | -2.2541 | |
| 73 | D | A | -1.7961 | |
| 74 | Q | A | -1.8348 | |
| 75 | Q | A | -1.6281 | |
| 76 | Q | A | -1.7374 | |
| 77 | R | A | -2.3591 | |
| 78 | H | A | -1.6588 | |
| 79 | R | A | -2.0709 | |
| 80 | P | A | -0.8272 | |
| 81 | E | A | -1.3571 | |
| 82 | D | A | 0.0000 | |
| 83 | P | A | -0.1282 | |
| 84 | Q | A | -0.5803 | |
| 85 | R | A | -1.3524 | |
| 86 | R | A | -1.9611 | |
| 87 | Y | A | -0.2787 | |
| 88 | E | A | -1.0540 | |
| 89 | E | A | -2.0269 | |
| 90 | C | A | -0.1750 | |
| 91 | Q | A | -0.3759 | |
| 92 | Q | A | -1.7083 | |
| 93 | E | A | -2.0312 | |
| 94 | C | A | 0.0000 | |
| 95 | R | A | -2.0609 | |
| 96 | Q | A | -1.6485 | |
| 97 | Q | A | -1.1986 | |
| 98 | E | A | -2.2682 | |
| 99 | E | A | -2.4761 | |
| 100 | R | A | -2.3809 | |
| 101 | Q | A | -1.5872 | |
| 102 | R | A | -0.5862 | |
| 103 | P | A | -0.5043 | |
| 104 | Q | A | -1.1708 | |
| 105 | C | A | -0.1178 | |
| 106 | Q | A | -0.4592 | |
| 107 | Q | A | -1.1581 | |
| 108 | R | A | -1.7711 | |
| 109 | C | A | 0.0000 | |
| 110 | L | A | 0.3940 | |
| 111 | K | A | -1.9037 | |
| 112 | R | A | -2.0926 | |
| 113 | F | A | -0.3526 | |
| 114 | E | A | -1.9799 | |
| 115 | Q | A | -1.7966 | |
| 116 | E | A | -1.9754 | |
| 117 | Q | A | -1.2126 | |
| 118 | Q | A | -1.3406 | |
| 119 | Q | A | -1.4540 | |
| 120 | S | A | -0.4247 | |
| 121 | Q | A | -1.3208 | |
| 122 | R | A | -2.1344 | |
| 123 | Q | A | -0.9701 | |
| 124 | F | A | 0.0000 | |
| 125 | Q | A | -1.5243 | |
| 126 | E | A | -2.0121 | |
| 127 | C | A | -0.3389 | |
| 128 | Q | A | -0.3828 | |
| 129 | Q | A | -1.2131 | |
| 130 | H | A | -1.0977 | |
| 131 | C | A | 0.0000 | |
| 132 | H | A | -1.1251 | |
| 133 | Q | A | -1.5597 | |
| 134 | Q | A | -1.4863 | |
| 135 | E | A | -0.8339 | |
| 136 | Q | A | -1.6007 | |
| 137 | R | A | -2.1037 | |
| 138 | P | A | -0.9085 | |
| 139 | E | A | -2.1849 | |
| 140 | R | A | -2.2810 | |
| 141 | K | A | -0.9060 | |
| 142 | Q | A | -1.4512 | |
| 143 | Q | A | -1.4138 | |
| 144 | C | A | -0.0055 | |
| 145 | V | A | -0.1059 | |
| 146 | R | A | -2.2137 | |
| 147 | E | A | -1.8740 | |
| 148 | C | A | 0.0000 | |
| 149 | R | A | -1.7590 | |
| 150 | E | A | -2.5508 | |
| 151 | R | A | -2.1209 | |
| 152 | Y | A | -0.1171 | |
| 153 | Q | A | -0.6005 | |
| 154 | E | A | -1.8100 | |
| 155 | N | A | -0.4796 | |
| 156 | P | A | -0.0256 | |
| 157 | W | A | 0.0686 | |
| 158 | R | A | -2.0843 | |
| 159 | R | A | -2.3410 | |
| 160 | E | A | -1.8049 | |
| 161 | R | A | -1.2942 | |
| 162 | E | A | -2.2355 | |
| 163 | E | A | -2.4640 | |
| 164 | E | A | -2.3389 | |
| 165 | A | A | -0.6344 | |
| 166 | E | A | -2.0209 | |
| 167 | E | A | -2.0262 | |
| 168 | E | A | -2.3437 | |
| 169 | E | A | -2.1472 | |
| 170 | T | A | -0.6506 | |
| 171 | E | A | -1.9528 | |
| 172 | E | A | -2.1464 | |
| 173 | G | A | -0.6885 | |
| 174 | E | A | -1.0768 | |
| 175 | Q | A | -1.6689 | |
| 176 | E | A | -2.0575 | |
| 177 | Q | A | -0.4794 | |
| 178 | S | A | -0.3021 | |
| 179 | H | A | -1.0081 | |
| 180 | N | A | 0.0000 | |
| 181 | P | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | H | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | H | A | -0.2750 | |
| 186 | R | A | -0.7385 | |
| 187 | R | A | -0.9580 | |
| 188 | S | A | -0.1760 | |
| 189 | F | A | 0.0000 | |
| 190 | Q | A | -1.2183 | |
| 191 | S | A | -0.4425 | |
| 192 | R | A | -0.3680 | |
| 193 | F | A | 0.0000 | |
| 194 | R | A | -1.9400 | |
| 195 | E | A | -1.0326 | |
| 196 | E | A | -1.9230 | |
| 197 | H | A | -0.5414 | |
| 198 | G | A | -0.1288 | |
| 199 | N | A | -0.4666 | |
| 200 | F | A | 0.0000 | |
| 201 | R | A | -0.3576 | |
| 202 | V | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | Q | A | -1.1201 | |
| 205 | R | A | -1.5409 | |
| 206 | F | A | 0.0000 | |
| 207 | A | A | -0.2247 | |
| 208 | S | A | -0.3340 | |
| 209 | R | A | -0.7421 | |
| 210 | H | A | -0.2504 | |
| 211 | P | A | -0.0518 | |
| 212 | I | A | 0.5493 | |
| 213 | L | A | 0.0000 | |
| 214 | R | A | -1.8932 | |
| 215 | G | A | -0.6117 | |
| 216 | I | A | 0.0000 | |
| 217 | N | A | -0.1995 | |
| 218 | E | A | -0.2835 | |
| 219 | F | A | 0.0000 | |
| 220 | R | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | I | A | 0.2054 | |
| 224 | L | A | 0.0000 | |
| 225 | E | A | -0.4606 | |
| 226 | A | A | 0.0000 | |
| 227 | N | A | -0.4306 | |
| 228 | P | A | -0.2536 | |
| 229 | N | A | 0.0000 | |
| 230 | T | A | 0.0000 | |
| 231 | F | A | 0.3319 | |
| 232 | V | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | P | A | -0.0305 | |
| 235 | H | A | 0.0000 | |
| 236 | H | A | -0.1974 | |
| 237 | C | A | 0.0000 | |
| 238 | D | A | -0.2297 | |
| 239 | A | A | 0.0000 | |
| 240 | E | A | 0.0000 | |
| 241 | K | A | 0.0000 | |
| 242 | I | A | 0.0000 | |
| 243 | Y | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | N | A | -0.2120 | |
| 248 | G | A | -0.3534 | |
| 249 | R | A | -1.3432 | |
| 250 | G | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | L | A | 0.4760 | |
| 256 | T | A | -0.0645 | |
| 257 | H | A | -1.3144 | |
| 258 | E | A | -2.1933 | |
| 259 | N | A | -1.7265 | |
| 260 | K | A | -1.8471 | |
| 261 | E | A | -0.5190 | |
| 262 | S | A | -0.0600 | |
| 263 | Y | A | 0.0000 | |
| 264 | N | A | -0.2341 | |
| 265 | V | A | 0.0000 | |
| 266 | V | A | 0.3112 | |
| 267 | P | A | 0.0144 | |
| 268 | G | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | R | A | -0.1892 | |
| 273 | V | A | 0.0000 | |
| 274 | P | A | -0.0434 | |
| 275 | A | A | -0.0668 | |
| 276 | G | A | -0.4617 | |
| 277 | S | A | 0.0000 | |
| 278 | T | A | -0.0382 | |
| 279 | V | A | 0.0000 | |
| 280 | Y | A | 0.1270 | |
| 281 | L | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | N | A | 0.0000 | |
| 284 | Q | A | 0.0000 | |
| 285 | D | A | -0.6125 | |
| 286 | N | A | -1.6486 | |
| 287 | K | A | -2.1537 | |
| 288 | E | A | -1.6824 | |
| 289 | K | A | -0.9154 | |
| 290 | L | A | 0.0000 | |
| 291 | I | A | 0.2285 | |
| 292 | I | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | H | A | 0.0000 | |
| 297 | R | A | -0.4113 | |
| 298 | P | A | 0.0000 | |
| 299 | V | A | 1.2398 | |
| 300 | N | A | -1.2401 | |
| 301 | N | A | -1.5518 | |
| 302 | P | A | -0.7582 | |
| 303 | R | A | -1.6470 | |
| 304 | Q | A | -1.4328 | |
| 305 | F | A | 0.0000 | |
| 306 | E | A | -0.9685 | |
| 307 | E | A | -0.2370 | |
| 308 | F | A | 0.7742 | |
| 309 | F | A | 0.0000 | |
| 310 | P | A | -0.0616 | |
| 311 | A | A | 0.0026 | |
| 312 | G | A | -0.2140 | |
| 313 | S | A | -0.2974 | |
| 314 | Q | A | -1.6486 | |
| 315 | R | A | -1.8346 | |
| 316 | P | A | 0.0000 | |
| 317 | Q | A | -1.2424 | |
| 318 | S | A | 0.0000 | |
| 319 | Y | A | 0.6091 | |
| 320 | L | A | 0.2614 | |
| 321 | R | A | -0.4120 | |
| 322 | A | A | 0.1468 | |
| 323 | F | A | 0.9564 | |
| 324 | S | A | -0.0803 | |
| 325 | R | A | -1.3168 | |
| 326 | E | A | -1.6374 | |
| 327 | I | A | 1.6879 | |
| 328 | L | A | 0.0000 | |
| 329 | E | A | -0.6516 | |
| 330 | P | A | -0.5001 | |
| 331 | A | A | 0.2574 | |
| 332 | F | A | 1.1528 | |
| 333 | N | A | -1.0612 | |
| 334 | T | A | -0.5757 | |
| 335 | R | A | -1.8603 | |
| 336 | S | A | -0.7321 | |
| 337 | E | A | -2.0669 | |
| 338 | Q | A | -1.3150 | |
| 339 | L | A | 0.0000 | |
| 340 | D | A | -1.4257 | |
| 341 | E | A | -1.8317 | |
| 342 | L | A | 1.0062 | |
| 343 | F | A | 0.0000 | |
| 344 | G | A | -0.3162 | |
| 345 | G | A | -0.7330 | |
| 346 | R | A | -2.1076 | |
| 347 | Q | A | -1.5394 | |
| 348 | S | A | -0.4717 | |
| 349 | H | A | -1.3286 | |
| 350 | R | A | -2.3433 | |
| 351 | R | A | -2.3852 | |
| 352 | Q | A | -1.7428 | |
| 353 | Q | A | -1.4296 | |
| 354 | G | A | -0.4873 | |
| 355 | Q | A | -0.9332 | |
| 356 | G | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | F | A | 0.0000 | |
| 359 | R | A | -0.5823 | |
| 360 | K | A | -1.7485 | |
| 361 | A | A | -0.3199 | |
| 362 | S | A | -0.2763 | |
| 363 | Q | A | -1.3774 | |
| 364 | E | A | -2.2210 | |
| 365 | Q | A | -1.5261 | |
| 366 | I | A | 0.0000 | |
| 367 | R | A | -1.8358 | |
| 368 | A | A | -0.2258 | |
| 369 | L | A | 0.3421 | |
| 370 | S | A | -0.1869 | |
| 371 | Q | A | -1.5318 | |
| 372 | E | A | -2.0344 | |
| 373 | A | A | -0.3288 | |
| 374 | T | A | -0.0605 | |
| 375 | S | A | -0.2390 | |
| 376 | P | A | 0.0000 | |
| 377 | R | A | -1.9499 | |
| 378 | E | A | -2.3287 | |
| 379 | K | A | -2.0468 | |
| 380 | S | A | -0.6000 | |
| 381 | G | A | -0.5394 | |
| 382 | E | A | -0.6108 | |
| 383 | R | A | -1.8792 | |
| 384 | F | A | 0.0000 | |
| 385 | A | A | 0.0000 | |
| 386 | F | A | 0.0000 | |
| 387 | N | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | L | A | 0.5710 | |
| 390 | Y | A | 1.2876 | |
| 391 | R | A | -0.2612 | |
| 392 | T | A | -0.1665 | |
| 393 | P | A | -0.2318 | |
| 394 | R | A | -1.0216 | |
| 395 | Y | A | -0.0509 | |
| 396 | S | A | -0.3125 | |
| 397 | N | A | -0.5583 | |
| 398 | Q | A | -1.2561 | |
| 399 | N | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | R | A | -1.2313 | |
| 402 | F | A | 0.0000 | |
| 403 | Y | A | 0.0000 | |
| 404 | E | A | -0.2593 | |
| 405 | A | A | 0.0000 | |
| 406 | C | A | 0.1081 | |
| 407 | P | A | 0.0000 | |
| 408 | R | A | -2.0712 | |
| 409 | E | A | -1.5904 | |
| 410 | F | A | 0.0000 | |
| 411 | R | A | -1.8713 | |
| 412 | Q | A | -0.4491 | |
| 413 | L | A | 0.0000 | |
| 414 | S | A | -0.6038 | |
| 415 | D | A | -1.8008 | |
| 416 | I | A | 0.0000 | |
| 417 | N | A | -0.2912 | |
| 418 | V | A | 0.0000 | |
| 419 | T | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | S | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | Q | A | -0.5170 | |
| 425 | L | A | 0.0000 | |
| 426 | N | A | -1.1668 | |
| 427 | Q | A | -1.4490 | |
| 428 | G | A | 0.0000 | |
| 429 | S | A | 0.0000 | |
| 430 | I | A | 0.3721 | |
| 431 | F | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | P | A | -0.0956 | |
| 434 | H | A | 0.0000 | |
| 435 | Y | A | 0.2751 | |
| 436 | N | A | 0.0000 | |
| 437 | S | A | -0.1890 | |
| 438 | K | A | -0.8741 | |
| 439 | A | A | 0.0000 | |
| 440 | T | A | -0.0069 | |
| 441 | F | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | V | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | V | A | 0.0000 | |
| 446 | N | A | 0.0000 | |
| 447 | E | A | -0.8775 | |
| 448 | G | A | 0.0000 | |
| 449 | N | A | -0.5877 | |
| 450 | G | A | -0.1178 | |
| 451 | Y | A | 0.0915 | |
| 452 | V | A | 0.0000 | |
| 453 | E | A | -0.7268 | |
| 454 | M | A | 0.0000 | |
| 455 | V | A | 0.2105 | |
| 456 | S | A | 0.0000 | |
| 457 | P | A | -0.0527 | |
| 458 | H | A | -0.5089 | |
| 459 | L | A | 0.7211 | |
| 460 | P | A | -0.2156 | |
| 461 | R | A | -2.0729 | |
| 462 | Q | A | -1.5609 | |
| 463 | S | A | -0.3490 | |
| 464 | S | A | 0.1972 | |
| 465 | F | A | 1.5977 | |
| 466 | E | A | -1.6068 | |
| 467 | E | A | -1.3710 | |
| 468 | E | A | -2.2717 | |
| 469 | E | A | -2.4658 | |
| 470 | E | A | -2.2757 | |
| 471 | Q | A | -1.2172 | |
| 472 | Q | A | -1.1726 | |
| 473 | Q | A | -1.6733 | |
| 474 | E | A | -2.0745 | |
| 475 | Q | A | -0.9010 | |
| 476 | E | A | -1.5461 | |
| 477 | Q | A | -1.3037 | |
| 478 | E | A | -1.7307 | |
| 479 | E | A | -1.9297 | |
| 480 | E | A | -2.4001 | |
| 481 | R | A | -2.6092 | |
| 482 | R | A | -2.2105 | |
| 483 | S | A | -0.6312 | |
| 484 | G | A | -0.7191 | |
| 485 | Q | A | -1.0416 | |
| 486 | Y | A | 0.7501 | |
| 487 | R | A | -1.9168 | |
| 488 | K | A | -1.9645 | |
| 489 | I | A | -0.4524 | |
| 490 | R | A | -1.8694 | |
| 491 | S | A | 0.0000 | |
| 492 | Q | A | -0.9182 | |
| 493 | L | A | 0.0000 | |
| 494 | S | A | -0.2919 | |
| 495 | R | A | -0.9264 | |
| 496 | G | A | -0.3049 | |
| 497 | D | A | 0.0000 | |
| 498 | I | A | 0.0000 | |
| 499 | F | A | 0.0000 | |
| 500 | V | A | 0.0000 | |
| 501 | V | A | 0.0000 | |
| 502 | P | A | 0.0000 | |
| 503 | A | A | -0.2162 | |
| 504 | N | A | -1.2708 | |
| 505 | F | A | 0.0000 | |
| 506 | P | A | -0.0286 | |
| 507 | V | A | 0.0000 | |
| 508 | T | A | -0.0182 | |
| 509 | F | A | 0.0000 | |
| 510 | V | A | 0.0000 | |
| 511 | A | A | 0.0000 | |
| 512 | S | A | -0.2512 | |
| 513 | Q | A | -1.4333 | |
| 514 | N | A | -1.5886 | |
| 515 | Q | A | -1.1313 | |
| 516 | N | A | -1.6300 | |
| 517 | L | A | 0.0000 | |
| 518 | R | A | -0.4715 | |
| 519 | M | A | 0.0000 | |
| 520 | T | A | 0.0000 | |
| 521 | G | A | 0.0000 | |
| 522 | F | A | 0.0000 | |
| 523 | G | A | 0.0000 | |
| 524 | L | A | 0.0000 | |
| 525 | Y | A | 0.0000 | |
| 526 | N | A | -0.6976 | |
| 527 | Q | A | -1.5117 | |
| 528 | N | A | -1.4131 | |
| 529 | I | A | -0.0506 | |
| 530 | N | A | -1.2016 | |
| 531 | P | A | -0.3918 | |
| 532 | D | A | -0.9697 | |
| 533 | H | A | -1.1748 | |
| 534 | N | A | -0.6346 | |
| 535 | Q | A | -1.2413 | |
| 536 | R | A | 0.0000 | |
| 537 | I | A | 0.3182 | |
| 538 | F | A | 0.0000 | |
| 539 | V | A | 0.4775 | |
| 540 | A | A | 0.0915 | |
| 541 | G | A | -0.2348 | |
| 542 | K | A | -0.6989 | |
| 543 | I | A | 1.3410 | |
| 544 | N | A | 0.0000 | |
| 545 | H | A | -0.2032 | |
| 546 | V | A | 0.0000 | |
| 547 | R | A | -1.6976 | |
| 548 | Q | A | -1.3696 | |
| 549 | W | A | -0.0162 | |
| 550 | D | A | -1.7256 | |
| 551 | S | A | -0.6811 | |
| 552 | Q | A | -0.9872 | |
| 553 | A | A | -0.1500 | |
| 554 | K | A | 0.0000 | |
| 555 | E | A | -0.4974 | |
| 556 | L | A | 1.4169 | |
| 557 | A | A | 0.5339 | |
| 558 | F | A | 1.0275 | |
| 559 | G | A | -0.1313 | |
| 560 | V | A | 0.6923 | |
| 561 | S | A | 0.0733 | |
| 562 | S | A | -0.3668 | |
| 563 | R | A | -1.7159 | |
| 564 | L | A | 0.2193 | |
| 565 | V | A | 0.0000 | |
| 566 | D | A | -0.9765 | |
| 567 | E | A | -1.5580 | |
| 568 | I | A | 1.4468 | |
| 569 | F | A | 0.6462 | |
| 570 | N | A | -0.6286 | |
| 571 | N | A | -1.5084 | |
| 572 | N | A | -1.1156 | |
| 573 | P | A | -0.5775 | |
| 574 | Q | A | -1.2726 | |
| 575 | E | A | -0.4230 | |
| 576 | S | A | -0.1652 | |
| 577 | Y | A | 0.2050 | |
| 578 | F | A | 0.0000 | |
| 579 | V | A | 0.2671 | |
| 580 | S | A | -0.1984 | |
| 581 | R | A | -1.2223 | |
| 582 | Q | A | -1.7216 | |
| 583 | R | A | -2.2931 | |
| 584 | Q | A | -1.8965 | |
| 585 | R | A | -2.0607 | |
| 586 | A | A | -0.3398 | |
| 587 | S | A | -0.5556 | |
| 588 | E | A | -1.8610 |
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 | -0.7289 | 3.9498 | View | CSV | PDB |
| 4.5 | -0.7676 | 3.9082 | View | CSV | PDB |
| 5.0 | -0.8199 | 3.8438 | View | CSV | PDB |
| 5.5 | -0.8767 | 3.7667 | View | CSV | PDB |
| 6.0 | -0.928 | 3.6892 | View | CSV | PDB |
| 6.5 | -0.9653 | 3.6237 | View | CSV | PDB |
| 7.0 | -0.985 | 3.5806 | View | CSV | PDB |
| 7.5 | -0.9907 | 3.5598 | View | CSV | PDB |
| 8.0 | -0.9887 | 3.5518 | View | CSV | PDB |
| 8.5 | -0.9829 | 3.5491 | View | CSV | PDB |
| 9.0 | -0.9743 | 3.5483 | 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