| Chain sequence(s) |
A: AKFVAAWTLKAAAEAAAKHMREVEADFAAYAQVETAIAVAAYSAEVEALEALAAYVYYADVEGFAAYDVIGFPALAAAYLTAREIAPKAAYLLVGTTLEVAAYVEGTVQFAWAAYVVYEHFGGKAAYRVRVERVALAAAYTSIEEIAQRAAYRLKDEIVAAAAYSPGCVRFVTLAAYAFLYGIAAHKAAYYPAETLPERWAAYAVLWRYALRAAYVLWRYALRLAAYEARRVVAARGSGATNFSLLKQAGDVEENPGPVYRLAYRLSGNQHDAEDLGPGPGRRHHRQLHRLARLTSRTSGPGPGEDLKLLGVHIFGTGPGPGGIGLAIAQRLAADGHKVGPGPGGIGNQANYAASKAGVIGGPGPGAVVAEAVAGDRNALREVGPGPGVVENLNADADVAGTQTGPGPGRRSARFRNVVGSTDQSGTGPGPGGNRHRLVLDDVLAYREARGSGATNFSLLKQAGDVEENPGPMDAMKRGLCCVLLLCGAVFVSPSGGSGGTDNRQRLHVAVQAFFDFIEHDSQGYRLIFENDFVTEPEVAAQVRVATESCIDAVFALISADSGLDPHRARMIAVGLVGMSVDCARYWLDADKPISKSDAVEGTVQFAWGGLSHGSGHHHHHH
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:16)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/965fd5cac822e34/tmp/folded.pdb (00:09:16)
[INFO] Main: Simulation completed successfully. (00:11:49)
|
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 | 0.2252 | |
| 2 | K | A | -0.2051 | |
| 3 | F | A | 2.1561 | |
| 4 | V | A | 2.0300 | |
| 5 | A | A | 1.2231 | |
| 6 | A | A | 1.1973 | |
| 7 | W | A | 1.7226 | |
| 8 | T | A | 1.0739 | |
| 9 | L | A | 1.0382 | |
| 10 | K | A | -0.9468 | |
| 11 | A | A | -0.6423 | |
| 12 | A | A | -0.3442 | |
| 13 | A | A | -1.1594 | |
| 14 | E | A | -2.4815 | |
| 15 | A | A | -1.7189 | |
| 16 | A | A | -1.5533 | |
| 17 | A | A | -2.0825 | |
| 18 | K | A | -3.4839 | |
| 19 | H | A | -2.7191 | |
| 20 | M | A | -2.7352 | |
| 21 | R | A | -3.9953 | |
| 22 | E | A | -3.9594 | |
| 23 | V | A | -2.7001 | |
| 24 | E | A | -3.3807 | |
| 25 | A | A | -2.3455 | |
| 26 | D | A | -2.3053 | |
| 27 | F | A | -0.9325 | |
| 28 | A | A | -0.3499 | |
| 29 | A | A | -0.1057 | |
| 30 | Y | A | 0.8999 | |
| 31 | A | A | 0.0733 | |
| 32 | Q | A | -0.5575 | |
| 33 | V | A | 0.1174 | |
| 34 | E | A | -1.0754 | |
| 35 | T | A | -0.0750 | |
| 36 | A | A | 0.5953 | |
| 37 | I | A | 0.8790 | |
| 38 | A | A | 1.1513 | |
| 39 | V | A | 1.7764 | |
| 40 | A | A | 1.0338 | |
| 41 | A | A | 0.2391 | |
| 42 | Y | A | 0.4381 | |
| 43 | S | A | -0.1805 | |
| 44 | A | A | -0.9310 | |
| 45 | E | A | -1.7865 | |
| 46 | V | A | -1.0551 | |
| 47 | E | A | -2.2494 | |
| 48 | A | A | -1.1914 | |
| 49 | L | A | -0.5384 | |
| 50 | E | A | -1.3728 | |
| 51 | A | A | -0.2741 | |
| 52 | L | A | 1.0995 | |
| 53 | A | A | 0.9459 | |
| 54 | A | A | 1.1229 | |
| 55 | Y | A | 1.6553 | |
| 56 | V | A | 1.8069 | |
| 57 | Y | A | 1.8362 | |
| 58 | Y | A | 1.7821 | |
| 59 | A | A | 0.5003 | |
| 60 | D | A | -1.0448 | |
| 61 | V | A | 0.0867 | |
| 62 | E | A | -1.3568 | |
| 63 | G | A | 0.1581 | |
| 64 | F | A | 1.7707 | |
| 65 | A | A | 1.0477 | |
| 66 | A | A | 1.3695 | |
| 67 | Y | A | 1.7036 | |
| 68 | D | A | 0.5922 | |
| 69 | V | A | 2.2089 | |
| 70 | I | A | 2.2956 | |
| 71 | G | A | 2.0026 | |
| 72 | F | A | 2.6783 | |
| 73 | P | A | 1.8472 | |
| 74 | A | A | 2.3725 | |
| 75 | L | A | 2.8718 | |
| 76 | A | A | 2.1511 | |
| 77 | A | A | 1.5628 | |
| 78 | A | A | 1.6180 | |
| 79 | Y | A | 1.8457 | |
| 80 | L | A | 1.4097 | |
| 81 | T | A | 0.2898 | |
| 82 | A | A | -0.3153 | |
| 83 | R | A | -1.6124 | |
| 84 | E | A | -2.0491 | |
| 85 | I | A | -0.6751 | |
| 86 | A | A | -0.7049 | |
| 87 | P | A | -0.8386 | |
| 88 | K | A | -0.8003 | |
| 89 | A | A | 0.0000 | |
| 90 | A | A | 1.4965 | |
| 91 | Y | A | 2.1027 | |
| 92 | L | A | 2.3384 | |
| 93 | L | A | 2.4506 | |
| 94 | V | A | 2.5776 | |
| 95 | G | A | 1.1039 | |
| 96 | T | A | 0.7796 | |
| 97 | T | A | 1.1126 | |
| 98 | L | A | 1.7534 | |
| 99 | E | A | 1.5578 | |
| 100 | V | A | 1.9144 | |
| 101 | A | A | 0.8274 | |
| 102 | A | A | 0.5493 | |
| 103 | Y | A | 0.5128 | |
| 104 | V | A | 0.1143 | |
| 105 | E | A | -1.4792 | |
| 106 | G | A | -0.6734 | |
| 107 | T | A | -0.2621 | |
| 108 | V | A | -0.1860 | |
| 109 | Q | A | -0.5962 | |
| 110 | F | A | 0.4739 | |
| 111 | A | A | 0.4869 | |
| 112 | W | A | 1.2464 | |
| 113 | A | A | 1.0166 | |
| 114 | A | A | 1.1600 | |
| 115 | Y | A | 0.7673 | |
| 116 | V | A | 1.5581 | |
| 117 | V | A | 1.4605 | |
| 118 | Y | A | 0.7376 | |
| 119 | E | A | -1.2787 | |
| 120 | H | A | -0.3558 | |
| 121 | F | A | 0.8989 | |
| 122 | G | A | -0.7141 | |
| 123 | G | A | -1.4251 | |
| 124 | K | A | -1.8914 | |
| 125 | A | A | -1.0311 | |
| 126 | A | A | -0.4490 | |
| 127 | Y | A | -0.7216 | |
| 128 | R | A | -1.8790 | |
| 129 | V | A | -0.3007 | |
| 130 | R | A | -1.4909 | |
| 131 | V | A | -0.6438 | |
| 132 | E | A | -1.3608 | |
| 133 | R | A | -1.5498 | |
| 134 | V | A | 0.7005 | |
| 135 | A | A | 0.3777 | |
| 136 | L | A | 0.1893 | |
| 137 | A | A | 0.7311 | |
| 138 | A | A | 0.6139 | |
| 139 | A | A | 0.9065 | |
| 140 | Y | A | 1.1927 | |
| 141 | T | A | -0.0481 | |
| 142 | S | A | -0.0539 | |
| 143 | I | A | 0.1803 | |
| 144 | E | A | -1.9189 | |
| 145 | E | A | -2.2671 | |
| 146 | I | A | -0.6342 | |
| 147 | A | A | -1.0561 | |
| 148 | Q | A | -1.9901 | |
| 149 | R | A | -2.3000 | |
| 150 | A | A | -1.4805 | |
| 151 | A | A | -1.4221 | |
| 152 | Y | A | -1.3794 | |
| 153 | R | A | -2.9060 | |
| 154 | L | A | -1.7975 | |
| 155 | K | A | -2.2880 | |
| 156 | D | A | -2.8048 | |
| 157 | E | A | -2.5348 | |
| 158 | I | A | -0.8339 | |
| 159 | V | A | 0.4066 | |
| 160 | A | A | 0.0073 | |
| 161 | A | A | 0.1776 | |
| 162 | A | A | 0.6099 | |
| 163 | A | A | 0.9641 | |
| 164 | Y | A | 1.4161 | |
| 165 | S | A | 0.6060 | |
| 166 | P | A | 0.3351 | |
| 167 | G | A | 0.6191 | |
| 168 | C | A | 1.6669 | |
| 169 | V | A | 1.9992 | |
| 170 | R | A | 1.6677 | |
| 171 | F | A | 3.0840 | |
| 172 | V | A | 3.1308 | |
| 173 | T | A | 2.1440 | |
| 174 | L | A | 0.0000 | |
| 175 | A | A | 2.4598 | |
| 176 | A | A | 2.5100 | |
| 177 | Y | A | 2.8321 | |
| 178 | A | A | 2.7028 | |
| 179 | F | A | 3.4635 | |
| 180 | L | A | 3.4278 | |
| 181 | Y | A | 2.3624 | |
| 182 | G | A | 2.1331 | |
| 183 | I | A | 1.5391 | |
| 184 | A | A | 0.7610 | |
| 185 | A | A | 0.6138 | |
| 186 | H | A | -0.0521 | |
| 187 | K | A | -0.9939 | |
| 188 | A | A | -0.3356 | |
| 189 | A | A | 0.2349 | |
| 190 | Y | A | 0.7290 | |
| 191 | Y | A | 0.7181 | |
| 192 | P | A | -0.1726 | |
| 193 | A | A | -0.8361 | |
| 194 | E | A | -1.7851 | |
| 195 | T | A | -0.8705 | |
| 196 | L | A | 0.4764 | |
| 197 | P | A | -0.4338 | |
| 198 | E | A | -1.7562 | |
| 199 | R | A | -0.5215 | |
| 200 | W | A | 0.8154 | |
| 201 | A | A | 0.3357 | |
| 202 | A | A | 0.1949 | |
| 203 | Y | A | 0.0000 | |
| 204 | A | A | 0.6805 | |
| 205 | V | A | 1.4035 | |
| 206 | L | A | 1.1977 | |
| 207 | W | A | 0.8942 | |
| 208 | R | A | -0.2203 | |
| 209 | Y | A | 0.9312 | |
| 210 | A | A | 1.3161 | |
| 211 | L | A | 1.1726 | |
| 212 | R | A | -0.0927 | |
| 213 | A | A | 0.6905 | |
| 214 | A | A | 1.2652 | |
| 215 | Y | A | 1.3764 | |
| 216 | V | A | 1.5974 | |
| 217 | L | A | 1.3039 | |
| 218 | W | A | 1.3645 | |
| 219 | R | A | -0.3822 | |
| 220 | Y | A | 0.2438 | |
| 221 | A | A | 0.0000 | |
| 222 | L | A | 0.2459 | |
| 223 | R | A | -1.0947 | |
| 224 | L | A | -0.1410 | |
| 225 | A | A | -0.5886 | |
| 226 | A | A | -0.5457 | |
| 227 | Y | A | -0.2426 | |
| 228 | E | A | -1.2104 | |
| 229 | A | A | -0.7672 | |
| 230 | R | A | -1.7044 | |
| 231 | R | A | -1.9014 | |
| 232 | V | A | 0.0322 | |
| 233 | V | A | 0.3340 | |
| 234 | A | A | -0.8550 | |
| 235 | A | A | -0.8554 | |
| 236 | R | A | -1.8405 | |
| 237 | G | A | -1.1249 | |
| 238 | S | A | -0.9521 | |
| 239 | G | A | -1.3236 | |
| 240 | A | A | -0.8497 | |
| 241 | T | A | -0.4680 | |
| 242 | N | A | -0.1563 | |
| 243 | F | A | 1.5842 | |
| 244 | S | A | 0.5887 | |
| 245 | L | A | 1.3624 | |
| 246 | L | A | 1.1219 | |
| 247 | K | A | -1.0472 | |
| 248 | Q | A | -1.0853 | |
| 249 | A | A | -0.7897 | |
| 250 | G | A | -1.8418 | |
| 251 | D | A | -2.7534 | |
| 252 | V | A | -1.6108 | |
| 253 | E | A | -3.0101 | |
| 254 | E | A | -3.4885 | |
| 255 | N | A | -2.8997 | |
| 256 | P | A | -1.2724 | |
| 257 | G | A | -0.2093 | |
| 258 | P | A | 0.5242 | |
| 259 | V | A | 1.9277 | |
| 260 | Y | A | 0.2380 | |
| 261 | R | A | -0.0081 | |
| 262 | L | A | 1.5961 | |
| 263 | A | A | 0.4694 | |
| 264 | Y | A | -0.8243 | |
| 265 | R | A | -0.7921 | |
| 266 | L | A | 0.7339 | |
| 267 | S | A | -0.5413 | |
| 268 | G | A | -1.4920 | |
| 269 | N | A | -2.9118 | |
| 270 | Q | A | -3.4569 | |
| 271 | H | A | -3.5699 | |
| 272 | D | A | -3.6185 | |
| 273 | A | A | 0.0000 | |
| 274 | E | A | -3.5674 | |
| 275 | D | A | -3.2811 | |
| 276 | L | A | -1.3818 | |
| 277 | G | A | -1.2283 | |
| 278 | P | A | -0.8444 | |
| 279 | G | A | -1.2141 | |
| 280 | P | A | -1.3618 | |
| 281 | G | A | -2.1399 | |
| 282 | R | A | -3.4130 | |
| 283 | R | A | -3.0534 | |
| 284 | H | A | -3.2123 | |
| 285 | H | A | -3.2218 | |
| 286 | R | A | -3.5266 | |
| 287 | Q | A | -2.7134 | |
| 288 | L | A | -1.1810 | |
| 289 | H | A | -2.2294 | |
| 290 | R | A | -2.4993 | |
| 291 | L | A | -0.0523 | |
| 292 | A | A | -1.1037 | |
| 293 | R | A | -2.2203 | |
| 294 | L | A | -0.6381 | |
| 295 | T | A | -0.7349 | |
| 296 | S | A | -1.4989 | |
| 297 | R | A | -2.2022 | |
| 298 | T | A | -1.3058 | |
| 299 | S | A | -1.1358 | |
| 300 | G | A | -0.9832 | |
| 301 | P | A | -0.8345 | |
| 302 | G | A | -1.4748 | |
| 303 | P | A | -1.8687 | |
| 304 | G | A | -2.0579 | |
| 305 | E | A | -2.8295 | |
| 306 | D | A | -2.2429 | |
| 307 | L | A | -0.5161 | |
| 308 | K | A | -1.2415 | |
| 309 | L | A | 0.9673 | |
| 310 | L | A | 1.7120 | |
| 311 | G | A | 1.6867 | |
| 312 | V | A | 2.6077 | |
| 313 | H | A | 1.5517 | |
| 314 | I | A | 2.6895 | |
| 315 | F | A | 2.7459 | |
| 316 | G | A | 0.6896 | |
| 317 | T | A | 0.2759 | |
| 318 | G | A | -0.0571 | |
| 319 | P | A | -0.6844 | |
| 320 | G | A | -0.8175 | |
| 321 | P | A | -0.7662 | |
| 322 | G | A | -0.4762 | |
| 323 | G | A | 0.3136 | |
| 324 | I | A | 1.8429 | |
| 325 | G | A | 1.6122 | |
| 326 | L | A | 0.9000 | |
| 327 | A | A | 0.3413 | |
| 328 | I | A | 0.5602 | |
| 329 | A | A | -0.2120 | |
| 330 | Q | A | -1.4866 | |
| 331 | R | A | -2.1416 | |
| 332 | L | A | -1.5023 | |
| 333 | A | A | -1.7494 | |
| 334 | A | A | -1.9369 | |
| 335 | D | A | -2.8261 | |
| 336 | G | A | -2.1098 | |
| 337 | H | A | -2.3424 | |
| 338 | K | A | -1.9331 | |
| 339 | V | A | -0.4911 | |
| 340 | G | A | -0.8347 | |
| 341 | P | A | -0.7283 | |
| 342 | G | A | -0.2646 | |
| 343 | P | A | -0.3569 | |
| 344 | G | A | -0.3668 | |
| 345 | G | A | -0.3051 | |
| 346 | I | A | 0.6188 | |
| 347 | G | A | -0.7975 | |
| 348 | N | A | -1.7658 | |
| 349 | Q | A | -1.5138 | |
| 350 | A | A | 0.0000 | |
| 351 | N | A | -1.2863 | |
| 352 | Y | A | -0.7721 | |
| 353 | A | A | -1.0189 | |
| 354 | A | A | -0.6220 | |
| 355 | S | A | -0.7652 | |
| 356 | K | A | -1.5613 | |
| 357 | A | A | -0.8101 | |
| 358 | G | A | -0.5191 | |
| 359 | V | A | -0.1460 | |
| 360 | I | A | 0.4448 | |
| 361 | G | A | -0.3408 | |
| 362 | G | A | -0.6721 | |
| 363 | P | A | -0.7981 | |
| 364 | G | A | -1.1804 | |
| 365 | P | A | -0.5976 | |
| 366 | G | A | -0.1169 | |
| 367 | A | A | 0.8937 | |
| 368 | V | A | 2.3390 | |
| 369 | V | A | 2.1922 | |
| 370 | A | A | 0.5284 | |
| 371 | E | A | -0.7284 | |
| 372 | A | A | 0.2699 | |
| 373 | V | A | 1.2974 | |
| 374 | A | A | -0.0765 | |
| 375 | G | A | -1.4487 | |
| 376 | D | A | -3.0614 | |
| 377 | R | A | -3.2878 | |
| 378 | N | A | -2.9159 | |
| 379 | A | A | -1.4348 | |
| 380 | L | A | -0.4972 | |
| 381 | R | A | -2.1080 | |
| 382 | E | A | -1.6990 | |
| 383 | V | A | 0.4257 | |
| 384 | G | A | -0.4311 | |
| 385 | P | A | -0.4022 | |
| 386 | G | A | -0.4697 | |
| 387 | P | A | -0.2459 | |
| 388 | G | A | 0.3844 | |
| 389 | V | A | 1.6266 | |
| 390 | V | A | 1.4559 | |
| 391 | E | A | -0.8746 | |
| 392 | N | A | -1.0652 | |
| 393 | L | A | -0.1879 | |
| 394 | N | A | -1.3991 | |
| 395 | A | A | -1.1692 | |
| 396 | D | A | -2.2086 | |
| 397 | A | A | -1.3170 | |
| 398 | D | A | -1.2477 | |
| 399 | V | A | 0.8249 | |
| 400 | A | A | 0.2927 | |
| 401 | G | A | -0.3776 | |
| 402 | T | A | -0.8958 | |
| 403 | Q | A | -1.5035 | |
| 404 | T | A | -0.9578 | |
| 405 | G | A | -0.9872 | |
| 406 | P | A | -0.9581 | |
| 407 | G | A | -1.1113 | |
| 408 | P | A | -1.3743 | |
| 409 | G | A | -2.1423 | |
| 410 | R | A | -3.1257 | |
| 411 | R | A | -3.2020 | |
| 412 | S | A | -1.9385 | |
| 413 | A | A | -1.3447 | |
| 414 | R | A | -1.8001 | |
| 415 | F | A | 0.0281 | |
| 416 | R | A | -1.3298 | |
| 417 | N | A | -0.5996 | |
| 418 | V | A | 1.6132 | |
| 419 | V | A | 1.7856 | |
| 420 | G | A | 0.4129 | |
| 421 | S | A | -0.4207 | |
| 422 | T | A | -1.4599 | |
| 423 | D | A | -2.5630 | |
| 424 | Q | A | -2.3184 | |
| 425 | S | A | -1.5042 | |
| 426 | G | A | -0.9608 | |
| 427 | T | A | -0.7946 | |
| 428 | G | A | -0.9143 | |
| 429 | P | A | -0.8793 | |
| 430 | G | A | -1.1488 | |
| 431 | P | A | -1.3748 | |
| 432 | G | A | -1.6948 | |
| 433 | G | A | -2.1301 | |
| 434 | N | A | -2.7881 | |
| 435 | R | A | -2.7604 | |
| 436 | H | A | -2.0452 | |
| 437 | R | A | -2.5915 | |
| 438 | L | A | -0.9135 | |
| 439 | V | A | -0.5406 | |
| 440 | L | A | -0.4947 | |
| 441 | D | A | -1.7718 | |
| 442 | D | A | -1.4202 | |
| 443 | V | A | -0.5188 | |
| 444 | L | A | -0.6192 | |
| 445 | A | A | -1.0239 | |
| 446 | Y | A | -0.7951 | |
| 447 | R | A | -2.8396 | |
| 448 | E | A | -3.0066 | |
| 449 | A | A | -2.2203 | |
| 450 | R | A | -3.1792 | |
| 451 | G | A | -2.4847 | |
| 452 | S | A | -1.8958 | |
| 453 | G | A | -1.6448 | |
| 454 | A | A | -1.1287 | |
| 455 | T | A | -0.3578 | |
| 456 | N | A | -0.1294 | |
| 457 | F | A | 1.5159 | |
| 458 | S | A | 0.5371 | |
| 459 | L | A | 1.2400 | |
| 460 | L | A | 0.8359 | |
| 461 | K | A | -1.3243 | |
| 462 | Q | A | -1.1543 | |
| 463 | A | A | -1.0412 | |
| 464 | G | A | -1.6546 | |
| 465 | D | A | -2.2328 | |
| 466 | V | A | -1.4238 | |
| 467 | E | A | -3.0071 | |
| 468 | E | A | -3.2217 | |
| 469 | N | A | -2.7167 | |
| 470 | P | A | -1.7676 | |
| 471 | G | A | -1.2314 | |
| 472 | P | A | -1.0721 | |
| 473 | M | A | -1.0162 | |
| 474 | D | A | -2.4107 | |
| 475 | A | A | -1.8501 | |
| 476 | M | A | 0.0000 | |
| 477 | K | A | -2.1190 | |
| 478 | R | A | -1.7052 | |
| 479 | G | A | 0.0000 | |
| 480 | L | A | -0.0989 | |
| 481 | C | A | -0.1403 | |
| 482 | C | A | 0.2193 | |
| 483 | V | A | 0.0000 | |
| 484 | L | A | 1.0109 | |
| 485 | L | A | 1.1978 | |
| 486 | L | A | 0.9287 | |
| 487 | C | A | 0.0000 | |
| 488 | G | A | 1.1246 | |
| 489 | A | A | 1.0284 | |
| 490 | V | A | 0.0000 | |
| 491 | F | A | 1.5285 | |
| 492 | V | A | 0.8553 | |
| 493 | S | A | 0.1054 | |
| 494 | P | A | -0.2274 | |
| 495 | S | A | -0.5301 | |
| 496 | G | A | -0.9783 | |
| 497 | G | A | -1.1684 | |
| 498 | S | A | -0.9908 | |
| 499 | G | A | -1.3293 | |
| 500 | G | A | -1.5175 | |
| 501 | T | A | -1.3264 | |
| 502 | D | A | -1.6762 | |
| 503 | N | A | -1.4360 | |
| 504 | R | A | -1.3846 | |
| 505 | Q | A | -1.6748 | |
| 506 | R | A | -0.7583 | |
| 507 | L | A | -0.4839 | |
| 508 | H | A | -0.7235 | |
| 509 | V | A | 0.1062 | |
| 510 | A | A | 0.0000 | |
| 511 | V | A | 0.0000 | |
| 512 | Q | A | -0.4097 | |
| 513 | A | A | -0.0752 | |
| 514 | F | A | 0.0000 | |
| 515 | F | A | 0.0000 | |
| 516 | D | A | -1.1297 | |
| 517 | F | A | 0.0000 | |
| 518 | I | A | 0.0000 | |
| 519 | E | A | -1.4957 | |
| 520 | H | A | -1.6679 | |
| 521 | D | A | -1.6532 | |
| 522 | S | A | -1.5237 | |
| 523 | Q | A | -2.0703 | |
| 524 | G | A | 0.0000 | |
| 525 | Y | A | 0.0000 | |
| 526 | R | A | -2.5025 | |
| 527 | L | A | 0.0000 | |
| 528 | I | A | -0.6448 | |
| 529 | F | A | -1.0814 | |
| 530 | E | A | -2.0033 | |
| 531 | N | A | -0.8869 | |
| 532 | D | A | -1.3948 | |
| 533 | F | A | 0.4694 | |
| 534 | V | A | 0.9541 | |
| 535 | T | A | -0.1078 | |
| 536 | E | A | -1.4458 | |
| 537 | P | A | -1.2510 | |
| 538 | E | A | -2.1478 | |
| 539 | V | A | -0.5063 | |
| 540 | A | A | -0.3692 | |
| 541 | A | A | -0.8281 | |
| 542 | Q | A | -0.7660 | |
| 543 | V | A | -0.5470 | |
| 544 | R | A | -1.6110 | |
| 545 | V | A | 0.2891 | |
| 546 | A | A | 0.0000 | |
| 547 | T | A | -0.8502 | |
| 548 | E | A | -1.7871 | |
| 549 | S | A | -0.7862 | |
| 550 | C | A | 0.0000 | |
| 551 | I | A | -0.1880 | |
| 552 | D | A | -1.3179 | |
| 553 | A | A | 0.0000 | |
| 554 | V | A | 0.5411 | |
| 555 | F | A | 0.1613 | |
| 556 | A | A | -0.0186 | |
| 557 | L | A | 0.0482 | |
| 558 | I | A | -0.4270 | |
| 559 | S | A | -0.8700 | |
| 560 | A | A | -0.6695 | |
| 561 | D | A | -1.8764 | |
| 562 | S | A | -1.0580 | |
| 563 | G | A | -0.9621 | |
| 564 | L | A | -1.1275 | |
| 565 | D | A | -1.8859 | |
| 566 | P | A | -1.5552 | |
| 567 | H | A | -1.8653 | |
| 568 | R | A | -1.8188 | |
| 569 | A | A | 0.0000 | |
| 570 | R | A | -0.3525 | |
| 571 | M | A | 0.8027 | |
| 572 | I | A | 1.2413 | |
| 573 | A | A | 0.0000 | |
| 574 | V | A | 1.0442 | |
| 575 | G | A | 0.8753 | |
| 576 | L | A | 1.2535 | |
| 577 | V | A | 0.4713 | |
| 578 | G | A | 0.1851 | |
| 579 | M | A | 0.1190 | |
| 580 | S | A | 0.0371 | |
| 581 | V | A | 0.0125 | |
| 582 | D | A | -0.5081 | |
| 583 | C | A | 0.0885 | |
| 584 | A | A | 0.0000 | |
| 585 | R | A | -0.5673 | |
| 586 | Y | A | -0.0542 | |
| 587 | W | A | 0.0000 | |
| 588 | L | A | -1.3871 | |
| 589 | D | A | -2.1155 | |
| 590 | A | A | -1.5186 | |
| 591 | D | A | -2.4617 | |
| 592 | K | A | -1.9208 | |
| 593 | P | A | -0.7937 | |
| 594 | I | A | -0.1452 | |
| 595 | S | A | -0.8287 | |
| 596 | K | A | -1.3608 | |
| 597 | S | A | -1.3725 | |
| 598 | D | A | -2.0295 | |
| 599 | A | A | 0.0000 | |
| 600 | V | A | 0.0000 | |
| 601 | E | A | -1.5770 | |
| 602 | G | A | -1.1595 | |
| 603 | T | A | 0.0000 | |
| 604 | V | A | 0.0000 | |
| 605 | Q | A | -0.7376 | |
| 606 | F | A | 0.6829 | |
| 607 | A | A | 0.6838 | |
| 608 | W | A | 0.7135 | |
| 609 | G | A | 0.1706 | |
| 610 | G | A | 0.5669 | |
| 611 | L | A | 1.0623 | |
| 612 | S | A | -0.0498 | |
| 613 | H | A | -0.9177 | |
| 614 | G | A | -0.8375 | |
| 615 | S | A | -1.1428 | |
| 616 | G | A | -1.9270 | |
| 617 | H | A | -2.2511 | |
| 618 | H | A | -2.5573 | |
| 619 | H | A | -2.7539 | |
| 620 | H | A | -2.6792 | |
| 621 | H | A | -2.3857 | |
| 622 | H | A | -1.8874 |
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 | 0.0639 | 6.6213 | View | CSV | PDB |
| 4.5 | -0.0176 | 6.6213 | View | CSV | PDB |
| 5.0 | -0.1234 | 6.6213 | View | CSV | PDB |
| 5.5 | -0.2343 | 6.6213 | View | CSV | PDB |
| 6.0 | -0.3334 | 6.6213 | View | CSV | PDB |
| 6.5 | -0.4106 | 6.6213 | View | CSV | PDB |
| 7.0 | -0.4628 | 6.6213 | View | CSV | PDB |
| 7.5 | -0.4949 | 6.6212 | View | CSV | PDB |
| 8.0 | -0.5146 | 6.6211 | View | CSV | PDB |
| 8.5 | -0.5253 | 6.6207 | View | CSV | PDB |
| 9.0 | -0.5252 | 6.6194 | 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