| Chain sequence(s) |
A: AKFVAAWTLKAAAEAAAKHMREVEADFAAYAQVETAIAVAAYSAEVEALEALAAYVYYADVEGFAAYDVIGFPALAAAYLTAREIAPKAAYLLVGTTLEVAAYVEGTVQFAWAAYVVYEHFGGKAAYRVRVERVALAAAYTSIEEIAQRAAYRLKDEIVAAAAYSPGCVRFVTLAAYAFLYGIAAHKAAYYPAETLPERWAAYAVLWRYALRAAYVLWRYALRLAAYEARRVVAARGSGATNFSLLKQAGDVEENPGPVYRLAYRLSGNQHDAEDLGPGPGRRHHRQLHRLARLTSRTSGPGPGEDLKLLGVHIFGTGPGPGGIGLAIAQRLAADGHKVGPGPGGIGNQANYAASKAGVIGGPGPGAVVAEAVAGDRNALREVGPGPGVVENLNADADVAGTQTGPGPGRRSARFRNVVGSTDQSGTGPGPGGNRHRLVLDDVLAYREARGSGATNFSLLKQAGDVEENPGPMDAMKRGLCCVLLLCGAVFVSPSGGSGGTAQVETAIAVQRALMRLPVEQRAAVVAVDMQGYSIADTARMLGVAEGTVKSRCARARARLARLLGSGHHHHHH
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 partially or entirely disordered. Average 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 (00:08:26)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/84f7c9fdcb8ac19/tmp/folded.pdb (00:08:26)
[INFO] Main: Simulation completed successfully. (00:10:43)
|
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 | A | A | 0.4316 | |
| 2 | K | A | -0.0111 | |
| 3 | F | A | 2.3205 | |
| 4 | V | A | 2.6860 | |
| 5 | A | A | 1.5073 | |
| 6 | A | A | 1.5088 | |
| 7 | W | A | 2.0583 | |
| 8 | T | A | 1.3628 | |
| 9 | L | A | 1.1976 | |
| 10 | K | A | -0.6549 | |
| 11 | A | A | -0.4884 | |
| 12 | A | A | -0.4128 | |
| 13 | A | A | -1.1098 | |
| 14 | E | A | -2.4217 | |
| 15 | A | A | -1.5474 | |
| 16 | A | A | -1.3247 | |
| 17 | A | A | -2.0257 | |
| 18 | K | A | -3.1017 | |
| 19 | H | A | -2.4825 | |
| 20 | M | A | -1.5421 | |
| 21 | R | A | -2.9334 | |
| 22 | E | A | -2.6435 | |
| 23 | V | A | -0.8721 | |
| 24 | E | A | -1.9818 | |
| 25 | A | A | -0.8845 | |
| 26 | D | A | -0.6060 | |
| 27 | F | A | 1.3823 | |
| 28 | A | A | 0.7987 | |
| 29 | A | A | 0.7741 | |
| 30 | Y | A | 1.3893 | |
| 31 | A | A | 0.3941 | |
| 32 | Q | A | -0.0018 | |
| 33 | V | A | 1.4698 | |
| 34 | E | A | -0.1023 | |
| 35 | T | A | 0.5462 | |
| 36 | A | A | 1.5080 | |
| 37 | I | A | 2.4826 | |
| 38 | A | A | 1.8224 | |
| 39 | V | A | 2.8110 | |
| 40 | A | A | 2.0097 | |
| 41 | A | A | 1.7594 | |
| 42 | Y | A | 2.0955 | |
| 43 | S | A | 0.6962 | |
| 44 | A | A | 0.0975 | |
| 45 | E | A | -1.2254 | |
| 46 | V | A | 0.4359 | |
| 47 | E | A | -0.9965 | |
| 48 | A | A | -0.2442 | |
| 49 | L | A | 0.8215 | |
| 50 | E | A | -0.5916 | |
| 51 | A | A | 0.4280 | |
| 52 | L | A | 1.7166 | |
| 53 | A | A | 1.5284 | |
| 54 | A | A | 2.5694 | |
| 55 | Y | A | 3.4163 | |
| 56 | V | A | 3.7164 | |
| 57 | Y | A | 3.2846 | |
| 58 | Y | A | 2.3830 | |
| 59 | A | A | 0.6554 | |
| 60 | D | A | -0.6221 | |
| 61 | V | A | 0.2309 | |
| 62 | E | A | -1.2322 | |
| 63 | G | A | -0.4639 | |
| 64 | F | A | 1.2288 | |
| 65 | A | A | 0.8520 | |
| 66 | A | A | 1.0314 | |
| 67 | Y | A | 2.1172 | |
| 68 | D | A | 1.2319 | |
| 69 | V | A | 3.2291 | |
| 70 | I | A | 2.8000 | |
| 71 | G | A | 2.0199 | |
| 72 | F | A | 2.7384 | |
| 73 | P | A | 1.3312 | |
| 74 | A | A | 1.1339 | |
| 75 | L | A | 1.8305 | |
| 76 | A | A | 0.7893 | |
| 77 | A | A | 0.8775 | |
| 78 | A | A | 1.1039 | |
| 79 | Y | A | 1.6759 | |
| 80 | L | A | 0.9726 | |
| 81 | T | A | 0.0213 | |
| 82 | A | A | -0.4033 | |
| 83 | R | A | -1.9248 | |
| 84 | E | A | -1.1538 | |
| 85 | I | A | 0.4055 | |
| 86 | A | A | 0.1218 | |
| 87 | P | A | -0.0606 | |
| 88 | K | A | -0.0527 | |
| 89 | A | A | 1.0717 | |
| 90 | A | A | 2.0176 | |
| 91 | Y | A | 2.2970 | |
| 92 | L | A | 2.5252 | |
| 93 | L | A | 2.5672 | |
| 94 | V | A | 2.4303 | |
| 95 | G | A | 1.6152 | |
| 96 | T | A | 1.3625 | |
| 97 | T | A | 1.9535 | |
| 98 | L | A | 1.9997 | |
| 99 | E | A | 0.4935 | |
| 100 | V | A | 2.0874 | |
| 101 | A | A | 1.8267 | |
| 102 | A | A | 0.8158 | |
| 103 | Y | A | 1.8858 | |
| 104 | V | A | 1.5345 | |
| 105 | E | A | -0.8063 | |
| 106 | G | A | -0.8130 | |
| 107 | T | A | -0.2304 | |
| 108 | V | A | 0.6604 | |
| 109 | Q | A | 0.0542 | |
| 110 | F | A | 0.8545 | |
| 111 | A | A | 1.0384 | |
| 112 | W | A | 1.3426 | |
| 113 | A | A | 0.7792 | |
| 114 | A | A | 1.4042 | |
| 115 | Y | A | 1.8857 | |
| 116 | V | A | 2.3065 | |
| 117 | V | A | 1.4787 | |
| 118 | Y | A | 1.7096 | |
| 119 | E | A | -0.2307 | |
| 120 | H | A | -0.7843 | |
| 121 | F | A | 0.2093 | |
| 122 | G | A | -0.7215 | |
| 123 | G | A | -1.2616 | |
| 124 | K | A | -1.9244 | |
| 125 | A | A | -0.5901 | |
| 126 | A | A | -0.0743 | |
| 127 | Y | A | 1.2364 | |
| 128 | R | A | 0.2319 | |
| 129 | V | A | 1.7278 | |
| 130 | R | A | 0.1662 | |
| 131 | V | A | 0.8538 | |
| 132 | E | A | -0.9240 | |
| 133 | R | A | -0.8391 | |
| 134 | V | A | 0.8363 | |
| 135 | A | A | 0.7985 | |
| 136 | L | A | 1.1905 | |
| 137 | A | A | 0.5622 | |
| 138 | A | A | 0.3747 | |
| 139 | A | A | 0.4322 | |
| 140 | Y | A | 0.1921 | |
| 141 | T | A | -0.4041 | |
| 142 | S | A | -0.1185 | |
| 143 | I | A | 0.2463 | |
| 144 | E | A | -1.6949 | |
| 145 | E | A | -1.6698 | |
| 146 | I | A | 0.4657 | |
| 147 | A | A | -0.2817 | |
| 148 | Q | A | -1.4436 | |
| 149 | R | A | -1.8425 | |
| 150 | A | A | -1.0481 | |
| 151 | A | A | -1.1042 | |
| 152 | Y | A | -1.1607 | |
| 153 | R | A | -3.0038 | |
| 154 | L | A | -1.9954 | |
| 155 | K | A | -2.3681 | |
| 156 | D | A | -2.8070 | |
| 157 | E | A | -2.5283 | |
| 158 | I | A | -0.8293 | |
| 159 | V | A | 0.6084 | |
| 160 | A | A | -0.0017 | |
| 161 | A | A | 0.3623 | |
| 162 | A | A | 0.6375 | |
| 163 | A | A | 1.1688 | |
| 164 | Y | A | 1.5330 | |
| 165 | S | A | 0.3497 | |
| 166 | P | A | -0.0400 | |
| 167 | G | A | 0.0265 | |
| 168 | C | A | 0.7730 | |
| 169 | V | A | 0.6908 | |
| 170 | R | A | -0.0849 | |
| 171 | F | A | 1.5972 | |
| 172 | V | A | 0.9335 | |
| 173 | T | A | 0.8151 | |
| 174 | L | A | 1.2868 | |
| 175 | A | A | 1.4529 | |
| 176 | A | A | 0.0000 | |
| 177 | Y | A | 1.5174 | |
| 178 | A | A | 1.7750 | |
| 179 | F | A | 2.6738 | |
| 180 | L | A | 2.0238 | |
| 181 | Y | A | 1.7650 | |
| 182 | G | A | 1.0277 | |
| 183 | I | A | 1.1702 | |
| 184 | A | A | 0.8754 | |
| 185 | A | A | 0.4266 | |
| 186 | H | A | -0.1799 | |
| 187 | K | A | 0.0168 | |
| 188 | A | A | 0.3996 | |
| 189 | A | A | 0.6139 | |
| 190 | Y | A | 1.4650 | |
| 191 | Y | A | 1.2856 | |
| 192 | P | A | -0.1718 | |
| 193 | A | A | -0.7596 | |
| 194 | E | A | -1.8466 | |
| 195 | T | A | -0.7719 | |
| 196 | L | A | 0.5856 | |
| 197 | P | A | -0.1398 | |
| 198 | E | A | -1.1758 | |
| 199 | R | A | -0.4980 | |
| 200 | W | A | 1.1694 | |
| 201 | A | A | 0.6626 | |
| 202 | A | A | 0.3643 | |
| 203 | Y | A | 1.4044 | |
| 204 | A | A | 0.7639 | |
| 205 | V | A | 0.8800 | |
| 206 | L | A | 1.1356 | |
| 207 | W | A | 0.5477 | |
| 208 | R | A | -0.9155 | |
| 209 | Y | A | 0.1916 | |
| 210 | A | A | 0.0000 | |
| 211 | L | A | 0.0674 | |
| 212 | R | A | -1.0608 | |
| 213 | A | A | -0.0551 | |
| 214 | A | A | 0.0000 | |
| 215 | Y | A | 0.5517 | |
| 216 | V | A | 0.1941 | |
| 217 | L | A | 0.3995 | |
| 218 | W | A | 0.2387 | |
| 219 | R | A | -0.8241 | |
| 220 | Y | A | -0.0857 | |
| 221 | A | A | 0.6865 | |
| 222 | L | A | 0.6701 | |
| 223 | R | A | -0.7040 | |
| 224 | L | A | 0.4120 | |
| 225 | A | A | -0.2380 | |
| 226 | A | A | -0.3618 | |
| 227 | Y | A | -0.2152 | |
| 228 | E | A | -1.6364 | |
| 229 | A | A | -0.9662 | |
| 230 | R | A | -1.8344 | |
| 231 | R | A | -2.1154 | |
| 232 | V | A | -0.0665 | |
| 233 | V | A | 0.2985 | |
| 234 | A | A | -0.8628 | |
| 235 | A | A | -0.8025 | |
| 236 | R | A | -1.6758 | |
| 237 | G | A | -1.0945 | |
| 238 | S | A | -0.9534 | |
| 239 | G | A | -1.3133 | |
| 240 | A | A | -0.7762 | |
| 241 | T | A | -0.3276 | |
| 242 | N | A | 0.0205 | |
| 243 | F | A | 1.5348 | |
| 244 | S | A | 0.5988 | |
| 245 | L | A | 1.3171 | |
| 246 | L | A | 1.0196 | |
| 247 | K | A | -1.0535 | |
| 248 | Q | A | -1.1517 | |
| 249 | A | A | -0.8280 | |
| 250 | G | A | -1.6942 | |
| 251 | D | A | -2.1319 | |
| 252 | V | A | -1.0703 | |
| 253 | E | A | -2.8066 | |
| 254 | E | A | -3.0719 | |
| 255 | N | A | -2.5514 | |
| 256 | P | A | -1.8735 | |
| 257 | G | A | -1.0292 | |
| 258 | P | A | -0.2825 | |
| 259 | V | A | 0.2291 | |
| 260 | Y | A | 0.0000 | |
| 261 | R | A | -1.0650 | |
| 262 | L | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | Y | A | -0.9787 | |
| 265 | R | A | -1.2938 | |
| 266 | L | A | -0.2852 | |
| 267 | S | A | -0.6657 | |
| 268 | G | A | -1.0554 | |
| 269 | N | A | -1.5773 | |
| 270 | Q | A | -2.2378 | |
| 271 | H | A | -2.3000 | |
| 272 | D | A | -1.7164 | |
| 273 | A | A | 0.0000 | |
| 274 | E | A | -2.7648 | |
| 275 | D | A | -2.5068 | |
| 276 | L | A | -1.0204 | |
| 277 | G | A | -1.2580 | |
| 278 | P | A | -1.4092 | |
| 279 | G | A | -1.7251 | |
| 280 | P | A | -1.5995 | |
| 281 | G | A | -2.4592 | |
| 282 | R | A | -3.4499 | |
| 283 | R | A | -3.9500 | |
| 284 | H | A | -3.0894 | |
| 285 | H | A | -3.0515 | |
| 286 | R | A | -3.3824 | |
| 287 | Q | A | -2.4583 | |
| 288 | L | A | -1.8343 | |
| 289 | H | A | -2.5736 | |
| 290 | R | A | -2.4474 | |
| 291 | L | A | -1.2075 | |
| 292 | A | A | -1.9122 | |
| 293 | R | A | -2.6981 | |
| 294 | L | A | -1.5462 | |
| 295 | T | A | -1.5175 | |
| 296 | S | A | -1.8055 | |
| 297 | R | A | -2.4173 | |
| 298 | T | A | -1.4016 | |
| 299 | S | A | -1.1552 | |
| 300 | G | A | -1.1742 | |
| 301 | P | A | -0.9188 | |
| 302 | G | A | -1.1447 | |
| 303 | P | A | -1.1976 | |
| 304 | G | A | -2.0245 | |
| 305 | E | A | -2.6886 | |
| 306 | D | A | -2.3522 | |
| 307 | L | A | -0.1328 | |
| 308 | K | A | -0.1877 | |
| 309 | L | A | 1.8719 | |
| 310 | L | A | 2.2284 | |
| 311 | G | A | 1.5100 | |
| 312 | V | A | 2.3194 | |
| 313 | H | A | 1.3268 | |
| 314 | I | A | 2.7594 | |
| 315 | F | A | 2.6375 | |
| 316 | G | A | 0.7469 | |
| 317 | T | A | 0.0717 | |
| 318 | G | A | -0.8969 | |
| 319 | P | A | -0.9248 | |
| 320 | G | A | -1.0120 | |
| 321 | P | A | -0.6091 | |
| 322 | G | A | -0.3138 | |
| 323 | G | A | 0.5600 | |
| 324 | I | A | 2.1801 | |
| 325 | G | A | 1.2812 | |
| 326 | L | A | 1.6396 | |
| 327 | A | A | 1.1563 | |
| 328 | I | A | 1.5784 | |
| 329 | A | A | 0.7631 | |
| 330 | Q | A | -0.9810 | |
| 331 | R | A | -1.3602 | |
| 332 | L | A | -0.3150 | |
| 333 | A | A | -0.8691 | |
| 334 | A | A | -1.4208 | |
| 335 | D | A | -2.4785 | |
| 336 | G | A | -1.8853 | |
| 337 | H | A | -1.7976 | |
| 338 | K | A | -1.6222 | |
| 339 | V | A | 0.2975 | |
| 340 | G | A | -0.4216 | |
| 341 | P | A | -0.5873 | |
| 342 | G | A | -0.7447 | |
| 343 | P | A | -0.7116 | |
| 344 | G | A | -0.4846 | |
| 345 | G | A | -0.0774 | |
| 346 | I | A | 0.9910 | |
| 347 | G | A | -0.5185 | |
| 348 | N | A | -1.8706 | |
| 349 | Q | A | -1.8050 | |
| 350 | A | A | -1.1565 | |
| 351 | N | A | -1.0681 | |
| 352 | Y | A | 0.5469 | |
| 353 | A | A | 0.1221 | |
| 354 | A | A | -0.3554 | |
| 355 | S | A | -0.8651 | |
| 356 | K | A | -1.8652 | |
| 357 | A | A | -0.6641 | |
| 358 | G | A | 0.4678 | |
| 359 | V | A | 2.4481 | |
| 360 | I | A | 2.4534 | |
| 361 | G | A | 0.6046 | |
| 362 | G | A | -0.4868 | |
| 363 | P | A | -0.8783 | |
| 364 | G | A | -0.9273 | |
| 365 | P | A | -0.7864 | |
| 366 | G | A | -0.2665 | |
| 367 | A | A | 0.9634 | |
| 368 | V | A | 2.6017 | |
| 369 | V | A | 2.3333 | |
| 370 | A | A | 0.4773 | |
| 371 | E | A | -0.9985 | |
| 372 | A | A | 0.1264 | |
| 373 | V | A | 1.3276 | |
| 374 | A | A | 0.3090 | |
| 375 | G | A | -1.3644 | |
| 376 | D | A | -3.1688 | |
| 377 | R | A | -3.4430 | |
| 378 | N | A | -2.1732 | |
| 379 | A | A | -0.7208 | |
| 380 | L | A | -0.1574 | |
| 381 | R | A | -1.4565 | |
| 382 | E | A | -1.5004 | |
| 383 | V | A | 0.1131 | |
| 384 | G | A | -0.2743 | |
| 385 | P | A | -0.4395 | |
| 386 | G | A | -0.9185 | |
| 387 | P | A | -0.3888 | |
| 388 | G | A | 0.5342 | |
| 389 | V | A | 2.0000 | |
| 390 | V | A | 1.3975 | |
| 391 | E | A | -0.9522 | |
| 392 | N | A | -1.3216 | |
| 393 | L | A | -0.0834 | |
| 394 | N | A | -1.1322 | |
| 395 | A | A | -1.2010 | |
| 396 | D | A | -2.2672 | |
| 397 | A | A | -1.3858 | |
| 398 | D | A | -1.1921 | |
| 399 | V | A | 0.5424 | |
| 400 | A | A | 0.2526 | |
| 401 | G | A | -0.3532 | |
| 402 | T | A | -0.9048 | |
| 403 | Q | A | -1.4659 | |
| 404 | T | A | -0.9983 | |
| 405 | G | A | -0.9746 | |
| 406 | P | A | -0.7862 | |
| 407 | G | A | -0.9136 | |
| 408 | P | A | -1.1376 | |
| 409 | G | A | -1.9648 | |
| 410 | R | A | -3.1064 | |
| 411 | R | A | -2.9704 | |
| 412 | S | A | -1.9082 | |
| 413 | A | A | -0.8935 | |
| 414 | R | A | -1.3390 | |
| 415 | F | A | -0.1479 | |
| 416 | R | A | -1.5539 | |
| 417 | N | A | -0.5636 | |
| 418 | V | A | 1.4214 | |
| 419 | V | A | 2.0466 | |
| 420 | G | A | 0.8618 | |
| 421 | S | A | -0.3086 | |
| 422 | T | A | -1.4130 | |
| 423 | D | A | -2.5244 | |
| 424 | Q | A | -2.3189 | |
| 425 | S | A | -1.4664 | |
| 426 | G | A | -0.9907 | |
| 427 | T | A | -0.6243 | |
| 428 | G | A | -0.8325 | |
| 429 | P | A | -0.8330 | |
| 430 | G | A | -0.9938 | |
| 431 | P | A | -1.0699 | |
| 432 | G | A | -1.5062 | |
| 433 | G | A | -2.3027 | |
| 434 | N | A | -2.8056 | |
| 435 | R | A | -2.6819 | |
| 436 | H | A | -2.1364 | |
| 437 | R | A | -2.0382 | |
| 438 | L | A | 0.1906 | |
| 439 | V | A | 1.2815 | |
| 440 | L | A | 1.1084 | |
| 441 | D | A | -0.5835 | |
| 442 | D | A | -0.0615 | |
| 443 | V | A | 1.1182 | |
| 444 | L | A | 0.2140 | |
| 445 | A | A | -0.7756 | |
| 446 | Y | A | -0.5664 | |
| 447 | R | A | -2.5947 | |
| 448 | E | A | -2.7175 | |
| 449 | A | A | -1.9707 | |
| 450 | R | A | -3.0561 | |
| 451 | G | A | -2.3900 | |
| 452 | S | A | -1.7367 | |
| 453 | G | A | -1.2152 | |
| 454 | A | A | -0.6822 | |
| 455 | T | A | -0.3295 | |
| 456 | N | A | 0.1358 | |
| 457 | F | A | 1.8047 | |
| 458 | S | A | 0.9406 | |
| 459 | L | A | 1.6469 | |
| 460 | L | A | 1.5481 | |
| 461 | K | A | -0.8439 | |
| 462 | Q | A | -1.4848 | |
| 463 | A | A | -0.7352 | |
| 464 | G | A | -1.5337 | |
| 465 | D | A | -2.1565 | |
| 466 | V | A | -0.8315 | |
| 467 | E | A | -2.7640 | |
| 468 | E | A | -3.1591 | |
| 469 | N | A | -2.6816 | |
| 470 | P | A | -1.8921 | |
| 471 | G | A | -0.9296 | |
| 472 | P | A | -0.5637 | |
| 473 | M | A | -0.1066 | |
| 474 | D | A | -1.6410 | |
| 475 | A | A | -1.1877 | |
| 476 | M | A | -0.6513 | |
| 477 | K | A | -2.0832 | |
| 478 | R | A | -2.2700 | |
| 479 | G | A | -0.9923 | |
| 480 | L | A | -0.2690 | |
| 481 | C | A | -0.2083 | |
| 482 | C | A | 0.4641 | |
| 483 | V | A | 0.9346 | |
| 484 | L | A | 1.2649 | |
| 485 | L | A | 0.0000 | |
| 486 | L | A | 1.8866 | |
| 487 | C | A | 1.3508 | |
| 488 | G | A | 0.8454 | |
| 489 | A | A | 1.0372 | |
| 490 | V | A | 0.0000 | |
| 491 | F | A | 1.9748 | |
| 492 | V | A | 1.1572 | |
| 493 | S | A | 0.3136 | |
| 494 | P | A | -0.4193 | |
| 495 | S | A | -1.0073 | |
| 496 | G | A | -1.1111 | |
| 497 | G | A | -1.3393 | |
| 498 | S | A | -1.0135 | |
| 499 | G | A | -1.4546 | |
| 500 | G | A | -1.1018 | |
| 501 | T | A | -0.6952 | |
| 502 | A | A | -0.8359 | |
| 503 | Q | A | -0.8199 | |
| 504 | V | A | -0.1697 | |
| 505 | E | A | -1.3277 | |
| 506 | T | A | -0.5658 | |
| 507 | A | A | -0.0148 | |
| 508 | I | A | -0.3021 | |
| 509 | A | A | -0.6688 | |
| 510 | V | A | -0.2796 | |
| 511 | Q | A | -0.9846 | |
| 512 | R | A | -1.9848 | |
| 513 | A | A | 0.0000 | |
| 514 | L | A | 0.0000 | |
| 515 | M | A | -0.9353 | |
| 516 | R | A | -2.0359 | |
| 517 | L | A | 0.0000 | |
| 518 | P | A | -0.4748 | |
| 519 | V | A | 0.9358 | |
| 520 | E | A | -0.3359 | |
| 521 | Q | A | -1.1640 | |
| 522 | R | A | -0.3709 | |
| 523 | A | A | 0.0000 | |
| 524 | A | A | 0.0000 | |
| 525 | V | A | 0.0000 | |
| 526 | V | A | 0.0000 | |
| 527 | A | A | 0.0000 | |
| 528 | V | A | 0.0000 | |
| 529 | D | A | 0.0000 | |
| 530 | M | A | 0.0000 | |
| 531 | Q | A | -0.5687 | |
| 532 | G | A | -0.3472 | |
| 533 | Y | A | -0.0991 | |
| 534 | S | A | -0.5723 | |
| 535 | I | A | -0.7234 | |
| 536 | A | A | -1.3696 | |
| 537 | D | A | -2.2200 | |
| 538 | T | A | 0.0000 | |
| 539 | A | A | 0.0000 | |
| 540 | R | A | -2.6234 | |
| 541 | M | A | -1.6048 | |
| 542 | L | A | -0.9627 | |
| 543 | G | A | -1.0152 | |
| 544 | V | A | -0.4031 | |
| 545 | A | A | -0.9056 | |
| 546 | E | A | -2.0216 | |
| 547 | G | A | -1.4734 | |
| 548 | T | A | -1.1243 | |
| 549 | V | A | 0.0000 | |
| 550 | K | A | -2.3571 | |
| 551 | S | A | -1.7838 | |
| 552 | R | A | -2.0009 | |
| 553 | C | A | 0.0000 | |
| 554 | A | A | -1.7104 | |
| 555 | R | A | -2.6376 | |
| 556 | A | A | 0.0000 | |
| 557 | R | A | -1.7319 | |
| 558 | A | A | -1.6654 | |
| 559 | R | A | -2.4070 | |
| 560 | L | A | 0.0000 | |
| 561 | A | A | -1.0497 | |
| 562 | R | A | -2.1569 | |
| 563 | L | A | -1.4710 | |
| 564 | L | A | -0.7811 | |
| 565 | G | A | -1.6795 | |
| 566 | S | A | -1.4885 | |
| 567 | G | A | -1.7938 | |
| 568 | H | A | -2.4798 | |
| 569 | H | A | -2.7721 | |
| 570 | H | A | -2.8490 | |
| 571 | H | A | -2.7916 | |
| 572 | H | A | -2.6144 | |
| 573 | H | A | -2.0534 |
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 | 0.092 | 6.7991 | View | CSV | PDB |
| 4.5 | 0.0208 | 6.7991 | View | CSV | PDB |
| 5.0 | -0.07 | 6.7991 | View | CSV | PDB |
| 5.5 | -0.1617 | 6.7991 | View | CSV | PDB |
| 6.0 | -0.2363 | 6.7991 | View | CSV | PDB |
| 6.5 | -0.2846 | 6.7991 | View | CSV | PDB |
| 7.0 | -0.3086 | 6.799 | View | CSV | PDB |
| 7.5 | -0.3167 | 6.799 | View | CSV | PDB |
| 8.0 | -0.3163 | 6.799 | View | CSV | PDB |
| 8.5 | -0.3098 | 6.799 | View | CSV | PDB |
| 9.0 | -0.2958 | 6.7988 | 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