| Chain sequence(s) |
A: AKFVAAWTLKAAAEAAAKHMREVEADFAAYAQVETAIAVAAYSAEVEALEALAAYVYYADVEGFAAYDVIGFPALAAAYLTAREIAPKAAYLLVGTTLEVAAYVEGTVQFAWAAYVVYEHFGGKAAYRVRVERVALAAAYTSIEEIAQRAAYRLKDEIVAAAAYSPGCVRFVTLAAYAFLYGIAAHKAAYYPAETLPERWAAYAVLWRYALRAAYVLWRYALRLAAYEARRVVAARGSGATNFSLLKQAGDVEENPGPVYRLAYRLSGNQHDAEDLGPGPGRRHHRQLHRLARLTSRTSGPGPGEDLKLLGVHIFGTGPGPGGIGLAIAQRLAADGHKVGPGPGGIGNQANYAASKAGVIGGPGPGAVVAEAVAGDRNALREVGPGPGVVENLNADADVAGTQTGPGPGRRSARFRNVVGSTDQSGTGPGPGGNRHRLVLDDVLAYREARGSGATNFSLLKQAGDVEENPGPMDAMKRGLCCVLLLCGAVFVSPSGGSGGDARLGPDLQAALASLPPEFRAAVVLCDIEGLSYEEIGATLGVKLGTVRSRIHRGRQALRDYLAAHPEHGSGHHHHHH
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e9d8c43943f0828/tmp/folded.pdb (00:11:47)
[INFO] Main: Simulation completed successfully. (00:19:50)
|
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 | 0.3434 | |
| 2 | K | A | -0.2201 | |
| 3 | F | A | 2.1713 | |
| 4 | V | A | 2.0232 | |
| 5 | A | A | 1.1615 | |
| 6 | A | A | 1.2707 | |
| 7 | W | A | 1.7914 | |
| 8 | T | A | 1.0066 | |
| 9 | L | A | 1.2559 | |
| 10 | K | A | -0.8440 | |
| 11 | A | A | -0.5598 | |
| 12 | A | A | -0.4470 | |
| 13 | A | A | -1.1510 | |
| 14 | E | A | -2.4878 | |
| 15 | A | A | -1.7884 | |
| 16 | A | A | -1.7892 | |
| 17 | A | A | -2.1365 | |
| 18 | K | A | -3.6303 | |
| 19 | H | A | -3.0786 | |
| 20 | M | A | -2.4741 | |
| 21 | R | A | -3.8407 | |
| 22 | E | A | -3.8200 | |
| 23 | V | A | -2.2595 | |
| 24 | E | A | -2.6868 | |
| 25 | A | A | -1.8420 | |
| 26 | D | A | -1.5238 | |
| 27 | F | A | 0.5956 | |
| 28 | A | A | 0.0303 | |
| 29 | A | A | 0.4247 | |
| 30 | Y | A | 1.1382 | |
| 31 | A | A | 0.5545 | |
| 32 | Q | A | -0.1448 | |
| 33 | V | A | 1.5167 | |
| 34 | E | A | 0.2701 | |
| 35 | T | A | 0.6787 | |
| 36 | A | A | 1.6378 | |
| 37 | I | A | 2.5398 | |
| 38 | A | A | 1.8912 | |
| 39 | V | A | 2.8098 | |
| 40 | A | A | 2.0755 | |
| 41 | A | A | 1.9072 | |
| 42 | Y | A | 1.9454 | |
| 43 | S | A | 0.6260 | |
| 44 | A | A | -0.4583 | |
| 45 | E | A | -1.4174 | |
| 46 | V | A | -0.4298 | |
| 47 | E | A | -1.5387 | |
| 48 | A | A | -0.4157 | |
| 49 | L | A | 0.8024 | |
| 50 | E | A | -0.3273 | |
| 51 | A | A | 0.9478 | |
| 52 | L | A | 1.8778 | |
| 53 | A | A | 1.8057 | |
| 54 | A | A | 2.3723 | |
| 55 | Y | A | 3.1752 | |
| 56 | V | A | 3.6493 | |
| 57 | Y | A | 3.0768 | |
| 58 | Y | A | 2.3116 | |
| 59 | A | A | 0.6444 | |
| 60 | D | A | -0.5396 | |
| 61 | V | A | 0.4057 | |
| 62 | E | A | -1.1500 | |
| 63 | G | A | -0.4175 | |
| 64 | F | A | 1.2829 | |
| 65 | A | A | 0.7439 | |
| 66 | A | A | 0.8390 | |
| 67 | Y | A | 1.8695 | |
| 68 | D | A | 1.1427 | |
| 69 | V | A | 3.0532 | |
| 70 | I | A | 2.6015 | |
| 71 | G | A | 1.9396 | |
| 72 | F | A | 2.4859 | |
| 73 | P | A | 1.1084 | |
| 74 | A | A | 1.3463 | |
| 75 | L | A | 1.8258 | |
| 76 | A | A | 0.9717 | |
| 77 | A | A | 1.1747 | |
| 78 | A | A | 1.2335 | |
| 79 | Y | A | 1.8306 | |
| 80 | L | A | 0.8700 | |
| 81 | T | A | -0.1049 | |
| 82 | A | A | -0.6742 | |
| 83 | R | A | -2.1253 | |
| 84 | E | A | -1.7588 | |
| 85 | I | A | -0.5859 | |
| 86 | A | A | -0.4807 | |
| 87 | P | A | -0.4426 | |
| 88 | K | A | -0.8969 | |
| 89 | A | A | 0.5201 | |
| 90 | A | A | 0.9208 | |
| 91 | Y | A | 1.2870 | |
| 92 | L | A | 1.8196 | |
| 93 | L | A | 1.2129 | |
| 94 | V | A | 1.5991 | |
| 95 | G | A | 1.0416 | |
| 96 | T | A | 0.8129 | |
| 97 | T | A | 1.5398 | |
| 98 | L | A | 1.5510 | |
| 99 | E | A | 0.3183 | |
| 100 | V | A | 2.0027 | |
| 101 | A | A | 1.7151 | |
| 102 | A | A | 1.1359 | |
| 103 | Y | A | 1.5919 | |
| 104 | V | A | 1.3199 | |
| 105 | E | A | -0.5770 | |
| 106 | G | A | -0.5945 | |
| 107 | T | A | 0.0790 | |
| 108 | V | A | 1.0802 | |
| 109 | Q | A | 0.0721 | |
| 110 | F | A | 1.2024 | |
| 111 | A | A | 1.0269 | |
| 112 | W | A | 1.2794 | |
| 113 | A | A | 0.5035 | |
| 114 | A | A | 0.9147 | |
| 115 | Y | A | 1.0940 | |
| 116 | V | A | 1.4643 | |
| 117 | V | A | 1.1470 | |
| 118 | Y | A | 1.4726 | |
| 119 | E | A | -0.3430 | |
| 120 | H | A | -0.7618 | |
| 121 | F | A | 0.5910 | |
| 122 | G | A | -0.4900 | |
| 123 | G | A | -1.1531 | |
| 124 | K | A | -1.8510 | |
| 125 | A | A | -0.5520 | |
| 126 | A | A | 0.0440 | |
| 127 | Y | A | 1.1238 | |
| 128 | R | A | 0.0189 | |
| 129 | V | A | 0.6240 | |
| 130 | R | A | -0.4008 | |
| 131 | V | A | 0.0913 | |
| 132 | E | A | -1.3840 | |
| 133 | R | A | -1.0676 | |
| 134 | V | A | 0.5693 | |
| 135 | A | A | 0.6423 | |
| 136 | L | A | 1.0126 | |
| 137 | A | A | 0.4890 | |
| 138 | A | A | 0.1420 | |
| 139 | A | A | 0.3530 | |
| 140 | Y | A | 0.4608 | |
| 141 | T | A | 0.1714 | |
| 142 | S | A | 0.1091 | |
| 143 | I | A | 0.8409 | |
| 144 | E | A | -1.5955 | |
| 145 | E | A | -1.7152 | |
| 146 | I | A | -0.2308 | |
| 147 | A | A | -0.5637 | |
| 148 | Q | A | -1.3018 | |
| 149 | R | A | -1.4811 | |
| 150 | A | A | -0.7223 | |
| 151 | A | A | -0.2905 | |
| 152 | Y | A | -0.4306 | |
| 153 | R | A | -1.8698 | |
| 154 | L | A | -0.2320 | |
| 155 | K | A | -1.1053 | |
| 156 | D | A | -2.1980 | |
| 157 | E | A | -1.7852 | |
| 158 | I | A | -0.0746 | |
| 159 | V | A | 0.6694 | |
| 160 | A | A | 0.1104 | |
| 161 | A | A | 0.3498 | |
| 162 | A | A | 0.6336 | |
| 163 | A | A | 1.0605 | |
| 164 | Y | A | 1.4273 | |
| 165 | S | A | 0.3917 | |
| 166 | P | A | -0.2673 | |
| 167 | G | A | -0.4185 | |
| 168 | C | A | 0.3730 | |
| 169 | V | A | 0.4326 | |
| 170 | R | A | -0.8911 | |
| 171 | F | A | 0.5821 | |
| 172 | V | A | 0.9703 | |
| 173 | T | A | 1.0231 | |
| 174 | L | A | 1.8863 | |
| 175 | A | A | 1.5700 | |
| 176 | A | A | 1.5434 | |
| 177 | Y | A | 2.1110 | |
| 178 | A | A | 1.7235 | |
| 179 | F | A | 2.0081 | |
| 180 | L | A | 1.7067 | |
| 181 | Y | A | 1.3121 | |
| 182 | G | A | 0.4301 | |
| 183 | I | A | 0.4612 | |
| 184 | A | A | 0.0000 | |
| 185 | A | A | 0.0570 | |
| 186 | H | A | -0.7429 | |
| 187 | K | A | -0.4407 | |
| 188 | A | A | 0.2163 | |
| 189 | A | A | 0.2754 | |
| 190 | Y | A | 1.0684 | |
| 191 | Y | A | 0.5180 | |
| 192 | P | A | -0.2723 | |
| 193 | A | A | 0.0000 | |
| 194 | E | A | -2.0239 | |
| 195 | T | A | -1.0206 | |
| 196 | L | A | 0.1257 | |
| 197 | P | A | -0.5247 | |
| 198 | E | A | -1.6054 | |
| 199 | R | A | -0.8253 | |
| 200 | W | A | 0.8870 | |
| 201 | A | A | 0.5421 | |
| 202 | A | A | 0.6379 | |
| 203 | Y | A | 1.2906 | |
| 204 | A | A | 1.2940 | |
| 205 | V | A | 2.3612 | |
| 206 | L | A | 1.6447 | |
| 207 | W | A | 1.0195 | |
| 208 | R | A | 0.1675 | |
| 209 | Y | A | 1.0573 | |
| 210 | A | A | 0.0000 | |
| 211 | L | A | 0.2707 | |
| 212 | R | A | -0.6252 | |
| 213 | A | A | 0.4669 | |
| 214 | A | A | 1.1825 | |
| 215 | Y | A | 1.3037 | |
| 216 | V | A | 2.0770 | |
| 217 | L | A | 1.6279 | |
| 218 | W | A | 1.1210 | |
| 219 | R | A | 0.5762 | |
| 220 | Y | A | 1.4297 | |
| 221 | A | A | 1.1571 | |
| 222 | L | A | 0.7905 | |
| 223 | R | A | -0.6073 | |
| 224 | L | A | 0.3950 | |
| 225 | A | A | -0.1874 | |
| 226 | A | A | -0.3322 | |
| 227 | Y | A | -0.0618 | |
| 228 | E | A | -0.9730 | |
| 229 | A | A | -0.7817 | |
| 230 | R | A | -1.6010 | |
| 231 | R | A | -1.9961 | |
| 232 | V | A | -0.4721 | |
| 233 | V | A | 0.2006 | |
| 234 | A | A | -0.8192 | |
| 235 | A | A | -0.9484 | |
| 236 | R | A | -1.6310 | |
| 237 | G | A | -1.1056 | |
| 238 | S | A | -0.9036 | |
| 239 | G | A | -0.8772 | |
| 240 | A | A | -0.2439 | |
| 241 | T | A | -0.1831 | |
| 242 | N | A | 0.0018 | |
| 243 | F | A | 1.5512 | |
| 244 | S | A | 0.5567 | |
| 245 | L | A | 1.1799 | |
| 246 | L | A | 1.1809 | |
| 247 | K | A | -1.2283 | |
| 248 | Q | A | -1.4121 | |
| 249 | A | A | -0.6867 | |
| 250 | G | A | -1.5460 | |
| 251 | D | A | -2.2719 | |
| 252 | V | A | -0.7434 | |
| 253 | E | A | -2.7534 | |
| 254 | E | A | -3.2060 | |
| 255 | N | A | -2.4854 | |
| 256 | P | A | -1.7044 | |
| 257 | G | A | -0.8458 | |
| 258 | P | A | -0.8456 | |
| 259 | V | A | 0.0000 | |
| 260 | Y | A | -0.3734 | |
| 261 | R | A | -1.0967 | |
| 262 | L | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | Y | A | -0.7009 | |
| 265 | R | A | -1.2201 | |
| 266 | L | A | -0.7649 | |
| 267 | S | A | -0.7771 | |
| 268 | G | A | -1.2219 | |
| 269 | N | A | -1.8406 | |
| 270 | Q | A | -2.1319 | |
| 271 | H | A | -2.2249 | |
| 272 | D | A | -1.4031 | |
| 273 | A | A | 0.0000 | |
| 274 | E | A | -2.3451 | |
| 275 | D | A | -1.7637 | |
| 276 | L | A | 0.0343 | |
| 277 | G | A | -0.4760 | |
| 278 | P | A | -1.2363 | |
| 279 | G | A | -1.2620 | |
| 280 | P | A | -1.3857 | |
| 281 | G | A | -2.2358 | |
| 282 | R | A | -3.6770 | |
| 283 | R | A | -4.0678 | |
| 284 | H | A | -3.4263 | |
| 285 | H | A | -3.7407 | |
| 286 | R | A | -3.7486 | |
| 287 | Q | A | -2.8831 | |
| 288 | L | A | -1.6859 | |
| 289 | H | A | -2.6044 | |
| 290 | R | A | -3.0417 | |
| 291 | L | A | -1.4007 | |
| 292 | A | A | -1.6105 | |
| 293 | R | A | -2.9290 | |
| 294 | L | A | -1.6184 | |
| 295 | T | A | -1.3405 | |
| 296 | S | A | -1.9544 | |
| 297 | R | A | -2.5649 | |
| 298 | T | A | -1.4440 | |
| 299 | S | A | -1.1667 | |
| 300 | G | A | -1.2688 | |
| 301 | P | A | -1.0061 | |
| 302 | G | A | -0.9114 | |
| 303 | P | A | -1.1251 | |
| 304 | G | A | -1.7556 | |
| 305 | E | A | -2.8236 | |
| 306 | D | A | -2.2553 | |
| 307 | L | A | 0.0768 | |
| 308 | K | A | -0.6614 | |
| 309 | L | A | 1.7429 | |
| 310 | L | A | 2.3602 | |
| 311 | G | A | 1.2742 | |
| 312 | V | A | 2.4439 | |
| 313 | H | A | 1.3576 | |
| 314 | I | A | 2.7677 | |
| 315 | F | A | 2.5792 | |
| 316 | G | A | 0.7438 | |
| 317 | T | A | 0.0071 | |
| 318 | G | A | -0.6551 | |
| 319 | P | A | -0.8880 | |
| 320 | G | A | -0.7251 | |
| 321 | P | A | -0.5334 | |
| 322 | G | A | -0.1282 | |
| 323 | G | A | 0.5006 | |
| 324 | I | A | 2.1605 | |
| 325 | G | A | 1.4522 | |
| 326 | L | A | 1.1107 | |
| 327 | A | A | 1.0074 | |
| 328 | I | A | 1.8204 | |
| 329 | A | A | 0.6178 | |
| 330 | Q | A | -1.2456 | |
| 331 | R | A | -1.8502 | |
| 332 | L | A | -0.9275 | |
| 333 | A | A | -1.0936 | |
| 334 | A | A | -1.5908 | |
| 335 | D | A | -2.8081 | |
| 336 | G | A | -2.0113 | |
| 337 | H | A | -2.1162 | |
| 338 | K | A | -1.7025 | |
| 339 | V | A | 0.3992 | |
| 340 | G | A | -0.5299 | |
| 341 | P | A | -0.6602 | |
| 342 | G | A | -0.6217 | |
| 343 | P | A | -0.7398 | |
| 344 | G | A | -0.6296 | |
| 345 | G | A | -0.4922 | |
| 346 | I | A | 0.1241 | |
| 347 | G | A | -1.0622 | |
| 348 | N | A | -1.5938 | |
| 349 | Q | A | -1.1145 | |
| 350 | A | A | -0.8030 | |
| 351 | N | A | -1.3859 | |
| 352 | Y | A | -0.4378 | |
| 353 | A | A | -0.7188 | |
| 354 | A | A | -0.2176 | |
| 355 | S | A | -0.3072 | |
| 356 | K | A | -1.4608 | |
| 357 | A | A | -0.2040 | |
| 358 | G | A | 0.3024 | |
| 359 | V | A | 1.9139 | |
| 360 | I | A | 2.3567 | |
| 361 | G | A | 0.3144 | |
| 362 | G | A | -0.2535 | |
| 363 | P | A | -0.7235 | |
| 364 | G | A | -1.1172 | |
| 365 | P | A | -0.5334 | |
| 366 | G | A | -0.0528 | |
| 367 | A | A | 1.0324 | |
| 368 | V | A | 2.3074 | |
| 369 | V | A | 2.1197 | |
| 370 | A | A | 0.7585 | |
| 371 | E | A | -0.6245 | |
| 372 | A | A | 0.3475 | |
| 373 | V | A | 1.1259 | |
| 374 | A | A | 0.1147 | |
| 375 | G | A | -1.5145 | |
| 376 | D | A | -3.0253 | |
| 377 | R | A | -3.2918 | |
| 378 | N | A | -2.2960 | |
| 379 | A | A | -0.6163 | |
| 380 | L | A | -0.2363 | |
| 381 | R | A | -1.5312 | |
| 382 | E | A | -1.6077 | |
| 383 | V | A | 0.1257 | |
| 384 | G | A | -0.2640 | |
| 385 | P | A | -0.3823 | |
| 386 | G | A | -0.7099 | |
| 387 | P | A | -0.3998 | |
| 388 | G | A | 0.6131 | |
| 389 | V | A | 1.9572 | |
| 390 | V | A | 1.3598 | |
| 391 | E | A | -0.8713 | |
| 392 | N | A | -1.2183 | |
| 393 | L | A | -0.3178 | |
| 394 | N | A | -1.2258 | |
| 395 | A | A | -1.4023 | |
| 396 | D | A | -2.1742 | |
| 397 | A | A | -1.4326 | |
| 398 | D | A | -1.2949 | |
| 399 | V | A | 0.5631 | |
| 400 | A | A | 0.2257 | |
| 401 | G | A | -0.5307 | |
| 402 | T | A | -0.8860 | |
| 403 | Q | A | -1.4638 | |
| 404 | T | A | -1.0075 | |
| 405 | G | A | -0.9989 | |
| 406 | P | A | -0.8053 | |
| 407 | G | A | -0.9396 | |
| 408 | P | A | -1.1502 | |
| 409 | G | A | -1.9767 | |
| 410 | R | A | -3.0978 | |
| 411 | R | A | -2.9705 | |
| 412 | S | A | -1.9149 | |
| 413 | A | A | -1.0925 | |
| 414 | R | A | -1.5158 | |
| 415 | F | A | 0.0355 | |
| 416 | R | A | -1.3195 | |
| 417 | N | A | -0.6816 | |
| 418 | V | A | 1.6215 | |
| 419 | V | A | 1.8010 | |
| 420 | G | A | 0.5469 | |
| 421 | S | A | -0.3904 | |
| 422 | T | A | -1.2443 | |
| 423 | D | A | -2.5253 | |
| 424 | Q | A | -2.3351 | |
| 425 | S | A | -1.5040 | |
| 426 | G | A | -0.9647 | |
| 427 | T | A | -0.6698 | |
| 428 | G | A | -0.8996 | |
| 429 | P | A | -0.8429 | |
| 430 | G | A | -1.0284 | |
| 431 | P | A | -1.3762 | |
| 432 | G | A | -1.6170 | |
| 433 | G | A | -2.3473 | |
| 434 | N | A | -3.1293 | |
| 435 | R | A | -3.3427 | |
| 436 | H | A | -2.7855 | |
| 437 | R | A | -2.9534 | |
| 438 | L | A | -0.8504 | |
| 439 | V | A | -0.2282 | |
| 440 | L | A | -0.1131 | |
| 441 | D | A | -1.3691 | |
| 442 | D | A | -0.8430 | |
| 443 | V | A | -0.0936 | |
| 444 | L | A | -0.0901 | |
| 445 | A | A | -1.2327 | |
| 446 | Y | A | -1.5924 | |
| 447 | R | A | -3.0443 | |
| 448 | E | A | -3.1080 | |
| 449 | A | A | -2.2506 | |
| 450 | R | A | -3.3671 | |
| 451 | G | A | -2.6039 | |
| 452 | S | A | -1.6400 | |
| 453 | G | A | -1.2385 | |
| 454 | A | A | -0.4654 | |
| 455 | T | A | -0.1858 | |
| 456 | N | A | 0.0567 | |
| 457 | F | A | 1.6040 | |
| 458 | S | A | 0.8214 | |
| 459 | L | A | 1.6093 | |
| 460 | L | A | 1.3453 | |
| 461 | K | A | -1.1053 | |
| 462 | Q | A | -1.2516 | |
| 463 | A | A | -0.7194 | |
| 464 | G | A | -1.5792 | |
| 465 | D | A | -2.1496 | |
| 466 | V | A | -0.8078 | |
| 467 | E | A | -2.7362 | |
| 468 | E | A | -3.1072 | |
| 469 | N | A | -2.6740 | |
| 470 | P | A | -1.7277 | |
| 471 | G | A | -0.8003 | |
| 472 | P | A | -0.2829 | |
| 473 | M | A | 0.0156 | |
| 474 | D | A | -1.2255 | |
| 475 | A | A | -0.7632 | |
| 476 | M | A | -0.2141 | |
| 477 | K | A | -1.4933 | |
| 478 | R | A | -1.4498 | |
| 479 | G | A | 0.2895 | |
| 480 | L | A | 1.6209 | |
| 481 | C | A | 1.9986 | |
| 482 | C | A | 2.5703 | |
| 483 | V | A | 3.4536 | |
| 484 | L | A | 3.9167 | |
| 485 | L | A | 3.9410 | |
| 486 | L | A | 3.9381 | |
| 487 | C | A | 3.2747 | |
| 488 | G | A | 2.5465 | |
| 489 | A | A | 2.7093 | |
| 490 | V | A | 3.2707 | |
| 491 | F | A | 3.3418 | |
| 492 | V | A | 2.8352 | |
| 493 | S | A | 1.2380 | |
| 494 | P | A | 0.0329 | |
| 495 | S | A | -0.5364 | |
| 496 | G | A | -1.0043 | |
| 497 | G | A | -1.0621 | |
| 498 | S | A | -1.1349 | |
| 499 | G | A | -1.3714 | |
| 500 | G | A | -2.0256 | |
| 501 | D | A | -2.6898 | |
| 502 | A | A | -1.8529 | |
| 503 | R | A | -2.4411 | |
| 504 | L | A | -1.3039 | |
| 505 | G | A | -1.1808 | |
| 506 | P | A | -1.6359 | |
| 507 | D | A | -2.4745 | |
| 508 | L | A | -1.0645 | |
| 509 | Q | A | -1.5026 | |
| 510 | A | A | -0.8004 | |
| 511 | A | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | A | A | -0.2141 | |
| 514 | S | A | -0.2140 | |
| 515 | L | A | 0.0000 | |
| 516 | P | A | -0.3793 | |
| 517 | P | A | -0.3533 | |
| 518 | E | A | -0.4913 | |
| 519 | F | A | -0.6924 | |
| 520 | R | A | -0.4335 | |
| 521 | A | A | 0.0000 | |
| 522 | A | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | V | A | -0.1285 | |
| 525 | L | A | 0.0000 | |
| 526 | C | A | 0.0000 | |
| 527 | D | A | 0.0000 | |
| 528 | I | A | -0.6627 | |
| 529 | E | A | -1.7755 | |
| 530 | G | A | -1.1945 | |
| 531 | L | A | -0.8576 | |
| 532 | S | A | -1.0663 | |
| 533 | Y | A | -1.4406 | |
| 534 | E | A | -2.6292 | |
| 535 | E | A | -2.2048 | |
| 536 | I | A | 0.0000 | |
| 537 | G | A | 0.0000 | |
| 538 | A | A | -1.2459 | |
| 539 | T | A | -0.8838 | |
| 540 | L | A | 0.0000 | |
| 541 | G | A | -1.2505 | |
| 542 | V | A | -1.0029 | |
| 543 | K | A | -2.0555 | |
| 544 | L | A | -1.5882 | |
| 545 | G | A | -1.5555 | |
| 546 | T | A | -1.3755 | |
| 547 | V | A | 0.0000 | |
| 548 | R | A | -2.8395 | |
| 549 | S | A | -1.9595 | |
| 550 | R | A | -1.9350 | |
| 551 | I | A | 0.0000 | |
| 552 | H | A | -2.6730 | |
| 553 | R | A | -3.0153 | |
| 554 | G | A | 0.0000 | |
| 555 | R | A | -2.0012 | |
| 556 | Q | A | -2.3876 | |
| 557 | A | A | -1.7399 | |
| 558 | L | A | 0.0000 | |
| 559 | R | A | -1.8800 | |
| 560 | D | A | -2.2072 | |
| 561 | Y | A | -1.1647 | |
| 562 | L | A | -1.0376 | |
| 563 | A | A | -0.9615 | |
| 564 | A | A | -1.0392 | |
| 565 | H | A | -2.1030 | |
| 566 | P | A | -2.0374 | |
| 567 | E | A | -3.1477 | |
| 568 | H | A | -2.7905 | |
| 569 | G | A | -2.2697 | |
| 570 | S | A | -1.7835 | |
| 571 | G | A | -1.5294 | |
| 572 | H | A | -2.1885 | |
| 573 | H | A | -2.4757 | |
| 574 | H | A | -2.5680 | |
| 575 | H | A | -2.5802 | |
| 576 | H | A | -2.3370 | |
| 577 | H | A | -1.8423 |
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 | 0.1164 | 6.1135 | View | CSV | PDB |
| 4.5 | 0.0442 | 6.0802 | View | CSV | PDB |
| 5.0 | -0.0502 | 6.0364 | View | CSV | PDB |
| 5.5 | -0.1474 | 5.9894 | View | CSV | PDB |
| 6.0 | -0.2288 | 5.9463 | View | CSV | PDB |
| 6.5 | -0.2839 | 5.9145 | View | CSV | PDB |
| 7.0 | -0.313 | 5.897 | View | CSV | PDB |
| 7.5 | -0.3247 | 5.8897 | View | CSV | PDB |
| 8.0 | -0.3278 | 5.8871 | View | CSV | PDB |
| 8.5 | -0.3254 | 6.0402 | View | CSV | PDB |
| 9.0 | -0.316 | 6.2622 | 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