| Chain sequence(s) |
A: AKFVAAWTLKAAAEAAAKLTAREIAPKAAYHMREVEADFAAYVYYADVEGFAAYDVIGFPALAAAYLLVGTTLEVAAYVEGTVQFAWAAYVVYEHFGGKAAYRVRVERVALAAAYRLKDEIVAAAAYSPGCVRFVTLAAYAFLYGIAAHKAAYYPAETLPERWAAYAVLWRYALRAAYVLWRYALRLAAYEARRVVAARAAYSAEVEALEALAAYTSIEEIAQRAAYAQVETAIAVGSGATNFSLLKQAGDVEENPGPGIGNQANYAASKAGVIGGPGPGVYRLAYRLSGNQHDAEDLGPGPGRRHHRQLHRLARLTSRTSGPGPGEDLKLLGVHIFGTGPGPGGIGLAIAQRLAADGHKVGPGPGAVVAEAVAGDRNALREVGPGPGVVENLNADADVAGTQTGPGPGRRSARFRNVVGSTDQSGTGPGPGGNRHRLVLDDVLAYREARGSGATNFSLLKQAGDVEENPGPMDAMKRGLCCVLLLCGAVFVSPSGGSGGSDDEAVTALALSAAKGNGRALEAFIKATQQDVWRFVAYLSDVGSADDLTQETFLRAIGAIPRFSARSSARTWLLAIARHVVADHIRHVRSRPRTTRGARPGSGHHHHHH
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] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:15)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/89e0fe38376908e/tmp/folded.pdb (00:15:40)
[INFO] Main: Simulation completed successfully. (00:24:36)
|
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 | 0.3703 | |
| 2 | K | A | -0.0683 | |
| 3 | F | A | 2.4060 | |
| 4 | V | A | 2.5278 | |
| 5 | A | A | 1.4100 | |
| 6 | A | A | 1.4317 | |
| 7 | W | A | 1.9572 | |
| 8 | T | A | 1.3192 | |
| 9 | L | A | 1.3346 | |
| 10 | K | A | -0.7903 | |
| 11 | A | A | -0.5439 | |
| 12 | A | A | -0.3848 | |
| 13 | A | A | -0.8996 | |
| 14 | E | A | -2.1763 | |
| 15 | A | A | -1.0898 | |
| 16 | A | A | -0.7737 | |
| 17 | A | A | -1.1390 | |
| 18 | K | A | -2.0297 | |
| 19 | L | A | -1.2463 | |
| 20 | T | A | -1.3802 | |
| 21 | A | A | -1.4493 | |
| 22 | R | A | -2.9375 | |
| 23 | E | A | -2.9508 | |
| 24 | I | A | -1.5173 | |
| 25 | A | A | -1.0209 | |
| 26 | P | A | -1.2959 | |
| 27 | K | A | -1.8167 | |
| 28 | A | A | -0.7819 | |
| 29 | A | A | -0.5217 | |
| 30 | Y | A | -0.2650 | |
| 31 | H | A | -1.3312 | |
| 32 | M | A | -1.6301 | |
| 33 | R | A | -2.9729 | |
| 34 | E | A | -3.1899 | |
| 35 | V | A | -2.1834 | |
| 36 | E | A | -3.0300 | |
| 37 | A | A | -2.2633 | |
| 38 | D | A | -2.1016 | |
| 39 | F | A | -0.1605 | |
| 40 | A | A | 0.7267 | |
| 41 | A | A | 1.1457 | |
| 42 | Y | A | 2.0203 | |
| 43 | V | A | 2.8447 | |
| 44 | Y | A | 2.7974 | |
| 45 | Y | A | 2.6582 | |
| 46 | A | A | 1.4099 | |
| 47 | D | A | 0.1602 | |
| 48 | V | A | 1.1435 | |
| 49 | E | A | -0.7445 | |
| 50 | G | A | -0.2687 | |
| 51 | F | A | 1.2023 | |
| 52 | A | A | 0.6929 | |
| 53 | A | A | 1.3170 | |
| 54 | Y | A | 1.6753 | |
| 55 | D | A | 0.5671 | |
| 56 | V | A | 2.2960 | |
| 57 | I | A | 2.6349 | |
| 58 | G | A | 1.1358 | |
| 59 | F | A | 1.2669 | |
| 60 | P | A | 1.0023 | |
| 61 | A | A | 0.8517 | |
| 62 | L | A | 1.4886 | |
| 63 | A | A | 1.2528 | |
| 64 | A | A | 1.2579 | |
| 65 | A | A | 1.7193 | |
| 66 | Y | A | 2.0594 | |
| 67 | L | A | 1.9274 | |
| 68 | L | A | 2.4236 | |
| 69 | V | A | 2.0622 | |
| 70 | G | A | 0.8291 | |
| 71 | T | A | 0.6957 | |
| 72 | T | A | 1.1045 | |
| 73 | L | A | 0.9519 | |
| 74 | E | A | -0.4130 | |
| 75 | V | A | 0.7346 | |
| 76 | A | A | 1.0047 | |
| 77 | A | A | 0.5998 | |
| 78 | Y | A | 1.6264 | |
| 79 | V | A | 1.4245 | |
| 80 | E | A | -0.5220 | |
| 81 | G | A | 0.3372 | |
| 82 | T | A | 0.9983 | |
| 83 | V | A | 2.0309 | |
| 84 | Q | A | 1.6855 | |
| 85 | F | A | 2.8146 | |
| 86 | A | A | 2.2449 | |
| 87 | W | A | 2.7618 | |
| 88 | A | A | 2.4490 | |
| 89 | A | A | 1.9173 | |
| 90 | Y | A | 2.1249 | |
| 91 | V | A | 1.3192 | |
| 92 | V | A | 1.3523 | |
| 93 | Y | A | 1.0482 | |
| 94 | E | A | -0.9347 | |
| 95 | H | A | -0.7193 | |
| 96 | F | A | -0.1679 | |
| 97 | G | A | -1.1766 | |
| 98 | G | A | -1.6088 | |
| 99 | K | A | -1.8461 | |
| 100 | A | A | -1.0934 | |
| 101 | A | A | -0.6182 | |
| 102 | Y | A | -0.7954 | |
| 103 | R | A | -1.8105 | |
| 104 | V | A | -0.4965 | |
| 105 | R | A | -1.7646 | |
| 106 | V | A | -0.7620 | |
| 107 | E | A | -1.5634 | |
| 108 | R | A | -1.9498 | |
| 109 | V | A | 0.0282 | |
| 110 | A | A | -0.1388 | |
| 111 | L | A | -0.0689 | |
| 112 | A | A | 0.0526 | |
| 113 | A | A | -0.1628 | |
| 114 | A | A | -0.0806 | |
| 115 | Y | A | 0.0413 | |
| 116 | R | A | -1.8246 | |
| 117 | L | A | -0.7413 | |
| 118 | K | A | -1.1275 | |
| 119 | D | A | -2.2623 | |
| 120 | E | A | -2.1609 | |
| 121 | I | A | -0.1887 | |
| 122 | V | A | 0.6740 | |
| 123 | A | A | 0.1302 | |
| 124 | A | A | 0.4230 | |
| 125 | A | A | 0.6535 | |
| 126 | A | A | 1.1080 | |
| 127 | Y | A | 1.5099 | |
| 128 | S | A | 0.3846 | |
| 129 | P | A | -0.2058 | |
| 130 | G | A | -0.0189 | |
| 131 | C | A | 0.9442 | |
| 132 | V | A | 1.1683 | |
| 133 | R | A | 0.3795 | |
| 134 | F | A | 2.2355 | |
| 135 | V | A | 1.7729 | |
| 136 | T | A | 1.6815 | |
| 137 | L | A | 2.2922 | |
| 138 | A | A | 2.0670 | |
| 139 | A | A | 2.0364 | |
| 140 | Y | A | 2.5375 | |
| 141 | A | A | 2.2788 | |
| 142 | F | A | 3.0299 | |
| 143 | L | A | 2.4514 | |
| 144 | Y | A | 2.3040 | |
| 145 | G | A | 1.2921 | |
| 146 | I | A | 1.0582 | |
| 147 | A | A | 0.7990 | |
| 148 | A | A | 0.2677 | |
| 149 | H | A | -0.4483 | |
| 150 | K | A | -0.3600 | |
| 151 | A | A | -0.0315 | |
| 152 | A | A | 0.4483 | |
| 153 | Y | A | 1.3241 | |
| 154 | Y | A | 1.1834 | |
| 155 | P | A | -0.2845 | |
| 156 | A | A | -0.9695 | |
| 157 | E | A | -1.9130 | |
| 158 | T | A | -0.9270 | |
| 159 | L | A | 0.3698 | |
| 160 | P | A | -0.5305 | |
| 161 | E | A | -1.9257 | |
| 162 | R | A | -1.2235 | |
| 163 | W | A | 0.8120 | |
| 164 | A | A | 0.5288 | |
| 165 | A | A | 0.5053 | |
| 166 | Y | A | 1.1995 | |
| 167 | A | A | 1.2298 | |
| 168 | V | A | 2.3303 | |
| 169 | L | A | 2.2037 | |
| 170 | W | A | 1.4860 | |
| 171 | R | A | -0.2013 | |
| 172 | Y | A | 0.8472 | |
| 173 | A | A | 0.9433 | |
| 174 | L | A | 1.1945 | |
| 175 | R | A | -0.2347 | |
| 176 | A | A | 0.9552 | |
| 177 | A | A | 1.4722 | |
| 178 | Y | A | 2.0912 | |
| 179 | V | A | 2.5581 | |
| 180 | L | A | 2.0946 | |
| 181 | W | A | 1.7884 | |
| 182 | R | A | 0.6282 | |
| 183 | Y | A | 1.1607 | |
| 184 | A | A | 1.0938 | |
| 185 | L | A | 0.6542 | |
| 186 | R | A | -0.7602 | |
| 187 | L | A | 0.0566 | |
| 188 | A | A | -0.3559 | |
| 189 | A | A | -0.4611 | |
| 190 | Y | A | -0.1855 | |
| 191 | E | A | -1.2342 | |
| 192 | A | A | -0.8620 | |
| 193 | R | A | -1.8236 | |
| 194 | R | A | -2.0218 | |
| 195 | V | A | -0.3130 | |
| 196 | V | A | 0.4905 | |
| 197 | A | A | -0.4387 | |
| 198 | A | A | -0.3311 | |
| 199 | R | A | -1.0906 | |
| 200 | A | A | -0.1484 | |
| 201 | A | A | -0.0668 | |
| 202 | Y | A | 0.1535 | |
| 203 | S | A | -0.5506 | |
| 204 | A | A | -1.0525 | |
| 205 | E | A | -1.6131 | |
| 206 | V | A | -0.6347 | |
| 207 | E | A | -1.9411 | |
| 208 | A | A | -0.8079 | |
| 209 | L | A | 0.0785 | |
| 210 | E | A | -1.5159 | |
| 211 | A | A | -0.5552 | |
| 212 | L | A | 0.6273 | |
| 213 | A | A | 0.0894 | |
| 214 | A | A | 0.2143 | |
| 215 | Y | A | 0.2647 | |
| 216 | T | A | 0.1559 | |
| 217 | S | A | -0.0029 | |
| 218 | I | A | 0.6852 | |
| 219 | E | A | -1.9293 | |
| 220 | E | A | -2.2359 | |
| 221 | I | A | -0.5116 | |
| 222 | A | A | -0.9961 | |
| 223 | Q | A | -1.8162 | |
| 224 | R | A | -1.4175 | |
| 225 | A | A | -0.8702 | |
| 226 | A | A | -0.4559 | |
| 227 | Y | A | 0.3467 | |
| 228 | A | A | -0.2876 | |
| 229 | Q | A | -0.6462 | |
| 230 | V | A | 0.5173 | |
| 231 | E | A | -0.0476 | |
| 232 | T | A | 0.4188 | |
| 233 | A | A | 1.0154 | |
| 234 | I | A | 1.8852 | |
| 235 | A | A | 1.2753 | |
| 236 | V | A | 1.8673 | |
| 237 | G | A | 0.7015 | |
| 238 | S | A | 0.2383 | |
| 239 | G | A | -0.3618 | |
| 240 | A | A | -0.2506 | |
| 241 | T | A | 0.2709 | |
| 242 | N | A | -0.1141 | |
| 243 | F | A | 1.5344 | |
| 244 | S | A | 0.5173 | |
| 245 | L | A | 1.1791 | |
| 246 | L | A | 1.1384 | |
| 247 | K | A | -1.1097 | |
| 248 | Q | A | -1.3735 | |
| 249 | A | A | -0.8263 | |
| 250 | G | A | -1.6709 | |
| 251 | D | A | -2.0099 | |
| 252 | V | A | -0.7346 | |
| 253 | E | A | -2.6841 | |
| 254 | E | A | -3.1984 | |
| 255 | N | A | -2.6261 | |
| 256 | P | A | -1.6108 | |
| 257 | G | A | -1.0059 | |
| 258 | P | A | -0.4781 | |
| 259 | G | A | -0.4604 | |
| 260 | I | A | 0.5251 | |
| 261 | G | A | -0.7379 | |
| 262 | N | A | -1.6634 | |
| 263 | Q | A | -1.3509 | |
| 264 | A | A | -0.7956 | |
| 265 | N | A | -1.5183 | |
| 266 | Y | A | -0.5302 | |
| 267 | A | A | -0.6376 | |
| 268 | A | A | 0.0043 | |
| 269 | S | A | -0.2955 | |
| 270 | K | A | -1.2133 | |
| 271 | A | A | 0.0210 | |
| 272 | G | A | 0.3536 | |
| 273 | V | A | 2.0795 | |
| 274 | I | A | 2.1692 | |
| 275 | G | A | 0.5815 | |
| 276 | G | A | -0.0882 | |
| 277 | P | A | -0.2105 | |
| 278 | G | A | -0.7220 | |
| 279 | P | A | -0.5362 | |
| 280 | G | A | -0.2252 | |
| 281 | V | A | 0.6645 | |
| 282 | Y | A | -0.1663 | |
| 283 | R | A | -0.7515 | |
| 284 | L | A | 0.9819 | |
| 285 | A | A | 0.0817 | |
| 286 | Y | A | -0.8238 | |
| 287 | R | A | -0.9915 | |
| 288 | L | A | 0.5058 | |
| 289 | S | A | -0.6291 | |
| 290 | G | A | -1.4706 | |
| 291 | N | A | -2.9229 | |
| 292 | Q | A | -3.4386 | |
| 293 | H | A | -3.6645 | |
| 294 | D | A | -3.7058 | |
| 295 | A | A | -2.8357 | |
| 296 | E | A | -3.6944 | |
| 297 | D | A | -3.5249 | |
| 298 | L | A | -1.9187 | |
| 299 | G | A | -1.4649 | |
| 300 | P | A | -0.8358 | |
| 301 | G | A | -1.2530 | |
| 302 | P | A | -1.4710 | |
| 303 | G | A | -2.0976 | |
| 304 | R | A | -3.3714 | |
| 305 | R | A | -2.8899 | |
| 306 | H | A | -2.8371 | |
| 307 | H | A | -3.2273 | |
| 308 | R | A | -3.7021 | |
| 309 | Q | A | -2.7013 | |
| 310 | L | A | -1.3208 | |
| 311 | H | A | -2.6803 | |
| 312 | R | A | -3.0387 | |
| 313 | L | A | -0.9651 | |
| 314 | A | A | -1.5899 | |
| 315 | R | A | -2.6268 | |
| 316 | L | A | -1.0953 | |
| 317 | T | A | -0.9543 | |
| 318 | S | A | -1.5702 | |
| 319 | R | A | -2.2985 | |
| 320 | T | A | -1.2909 | |
| 321 | S | A | -1.0793 | |
| 322 | G | A | -1.1158 | |
| 323 | P | A | -0.8758 | |
| 324 | G | A | -1.4132 | |
| 325 | P | A | -1.4000 | |
| 326 | G | A | -1.8749 | |
| 327 | E | A | -2.5847 | |
| 328 | D | A | -1.8641 | |
| 329 | L | A | 0.3680 | |
| 330 | K | A | -0.6700 | |
| 331 | L | A | 1.4931 | |
| 332 | L | A | 2.5072 | |
| 333 | G | A | 2.1669 | |
| 334 | V | A | 3.0404 | |
| 335 | H | A | 1.8563 | |
| 336 | I | A | 3.3392 | |
| 337 | F | A | 2.9063 | |
| 338 | G | A | 0.9576 | |
| 339 | T | A | 0.1545 | |
| 340 | G | A | -0.4968 | |
| 341 | P | A | -0.6322 | |
| 342 | G | A | -1.0428 | |
| 343 | P | A | -0.6093 | |
| 344 | G | A | -0.2108 | |
| 345 | G | A | 0.6839 | |
| 346 | I | A | 2.3502 | |
| 347 | G | A | 1.4749 | |
| 348 | L | A | 1.8022 | |
| 349 | A | A | 1.3347 | |
| 350 | I | A | 2.0399 | |
| 351 | A | A | 1.0782 | |
| 352 | Q | A | -1.0013 | |
| 353 | R | A | -1.6172 | |
| 354 | L | A | -0.6623 | |
| 355 | A | A | -1.1565 | |
| 356 | A | A | -1.9124 | |
| 357 | D | A | -2.7395 | |
| 358 | G | A | -1.9953 | |
| 359 | H | A | -2.0524 | |
| 360 | K | A | -1.6630 | |
| 361 | V | A | 0.4220 | |
| 362 | G | A | -0.4119 | |
| 363 | P | A | -0.3416 | |
| 364 | G | A | -0.3829 | |
| 365 | P | A | -0.0382 | |
| 366 | G | A | 0.1143 | |
| 367 | A | A | 0.6245 | |
| 368 | V | A | 2.0452 | |
| 369 | V | A | 2.3509 | |
| 370 | A | A | 1.0138 | |
| 371 | E | A | -0.2743 | |
| 372 | A | A | 0.6177 | |
| 373 | V | A | 1.1338 | |
| 374 | A | A | -0.4409 | |
| 375 | G | A | -1.7121 | |
| 376 | D | A | -2.8748 | |
| 377 | R | A | -2.9768 | |
| 378 | N | A | -2.5572 | |
| 379 | A | A | -1.2595 | |
| 380 | L | A | -0.1289 | |
| 381 | R | A | -1.7440 | |
| 382 | E | A | -1.5904 | |
| 383 | V | A | 0.3158 | |
| 384 | G | A | -0.1003 | |
| 385 | P | A | -0.3876 | |
| 386 | G | A | -0.9007 | |
| 387 | P | A | -0.4365 | |
| 388 | G | A | 0.5409 | |
| 389 | V | A | 1.9677 | |
| 390 | V | A | 1.3661 | |
| 391 | E | A | -0.8276 | |
| 392 | N | A | -1.2934 | |
| 393 | L | A | -0.0917 | |
| 394 | N | A | -1.1644 | |
| 395 | A | A | -1.0726 | |
| 396 | D | A | -2.4212 | |
| 397 | A | A | -1.2911 | |
| 398 | D | A | -1.2660 | |
| 399 | V | A | 0.8130 | |
| 400 | A | A | 0.2683 | |
| 401 | G | A | -0.3405 | |
| 402 | T | A | -0.8776 | |
| 403 | Q | A | -1.4670 | |
| 404 | T | A | -0.9635 | |
| 405 | G | A | -1.0356 | |
| 406 | P | A | -0.8107 | |
| 407 | G | A | -1.1271 | |
| 408 | P | A | -1.2532 | |
| 409 | G | A | -1.9897 | |
| 410 | R | A | -3.1456 | |
| 411 | R | A | -2.9618 | |
| 412 | S | A | -1.9194 | |
| 413 | A | A | -1.1279 | |
| 414 | R | A | -1.4880 | |
| 415 | F | A | 0.0205 | |
| 416 | R | A | -1.3364 | |
| 417 | N | A | -0.5770 | |
| 418 | V | A | 1.6213 | |
| 419 | V | A | 1.8583 | |
| 420 | G | A | 0.4668 | |
| 421 | S | A | -0.3547 | |
| 422 | T | A | -1.4431 | |
| 423 | D | A | -2.5598 | |
| 424 | Q | A | -2.3117 | |
| 425 | S | A | -1.4565 | |
| 426 | G | A | -1.0465 | |
| 427 | T | A | -0.7997 | |
| 428 | G | A | -0.8792 | |
| 429 | P | A | -1.1552 | |
| 430 | G | A | -1.1866 | |
| 431 | P | A | -1.4116 | |
| 432 | G | A | -1.7213 | |
| 433 | G | A | -2.1208 | |
| 434 | N | A | -2.8689 | |
| 435 | R | A | -2.9417 | |
| 436 | H | A | -2.7237 | |
| 437 | R | A | -2.9295 | |
| 438 | L | A | -1.1027 | |
| 439 | V | A | -1.4435 | |
| 440 | L | A | 0.0000 | |
| 441 | D | A | -1.8350 | |
| 442 | D | A | -1.2233 | |
| 443 | V | A | 0.0000 | |
| 444 | L | A | -0.9431 | |
| 445 | A | A | -1.2036 | |
| 446 | Y | A | -0.9420 | |
| 447 | R | A | -1.9226 | |
| 448 | E | A | -2.6251 | |
| 449 | A | A | -2.0843 | |
| 450 | R | A | -3.0144 | |
| 451 | G | A | -2.2698 | |
| 452 | S | A | -1.7341 | |
| 453 | G | A | -1.6097 | |
| 454 | A | A | -0.8982 | |
| 455 | T | A | -0.6776 | |
| 456 | N | A | -0.1904 | |
| 457 | F | A | 1.7363 | |
| 458 | S | A | 0.9444 | |
| 459 | L | A | 1.7156 | |
| 460 | L | A | 1.3547 | |
| 461 | K | A | -0.9348 | |
| 462 | Q | A | -1.5871 | |
| 463 | A | A | -0.9113 | |
| 464 | G | A | -1.6017 | |
| 465 | D | A | -1.9609 | |
| 466 | V | A | -0.6900 | |
| 467 | E | A | -2.6753 | |
| 468 | E | A | -3.1589 | |
| 469 | N | A | -2.6606 | |
| 470 | P | A | -1.6844 | |
| 471 | G | A | -0.8188 | |
| 472 | P | A | -0.1138 | |
| 473 | M | A | 0.2112 | |
| 474 | D | A | -1.0254 | |
| 475 | A | A | -0.5908 | |
| 476 | M | A | -0.0285 | |
| 477 | K | A | -1.2679 | |
| 478 | R | A | -1.4134 | |
| 479 | G | A | 0.2274 | |
| 480 | L | A | 1.4426 | |
| 481 | C | A | 1.7143 | |
| 482 | C | A | 2.2867 | |
| 483 | V | A | 3.1692 | |
| 484 | L | A | 3.8044 | |
| 485 | L | A | 4.2423 | |
| 486 | L | A | 4.4236 | |
| 487 | C | A | 3.7569 | |
| 488 | G | A | 3.3664 | |
| 489 | A | A | 3.3936 | |
| 490 | V | A | 4.0384 | |
| 491 | F | A | 3.9573 | |
| 492 | V | A | 3.2322 | |
| 493 | S | A | 1.4517 | |
| 494 | P | A | 0.2130 | |
| 495 | S | A | -0.5151 | |
| 496 | G | A | -1.0369 | |
| 497 | G | A | -1.3775 | |
| 498 | S | A | -1.5677 | |
| 499 | G | A | -2.0940 | |
| 500 | G | A | -2.1699 | |
| 501 | S | A | -2.4193 | |
| 502 | D | A | -3.2193 | |
| 503 | D | A | -2.7976 | |
| 504 | E | A | -2.9468 | |
| 505 | A | A | -1.6673 | |
| 506 | V | A | 0.0000 | |
| 507 | T | A | -0.9667 | |
| 508 | A | A | -0.4219 | |
| 509 | L | A | -0.4535 | |
| 510 | A | A | 0.0000 | |
| 511 | L | A | -0.3379 | |
| 512 | S | A | -0.9667 | |
| 513 | A | A | 0.0000 | |
| 514 | A | A | -1.5577 | |
| 515 | K | A | -2.3687 | |
| 516 | G | A | -2.0466 | |
| 517 | N | A | -2.3842 | |
| 518 | G | A | -2.2831 | |
| 519 | R | A | -2.6940 | |
| 520 | A | A | 0.0000 | |
| 521 | L | A | 0.0000 | |
| 522 | E | A | -2.1474 | |
| 523 | A | A | -1.3854 | |
| 524 | F | A | 0.0000 | |
| 525 | I | A | 0.0000 | |
| 526 | K | A | -1.9593 | |
| 527 | A | A | -1.3416 | |
| 528 | T | A | 0.0000 | |
| 529 | Q | A | -1.7012 | |
| 530 | Q | A | -2.4459 | |
| 531 | D | A | -2.2407 | |
| 532 | V | A | 0.0000 | |
| 533 | W | A | -1.2269 | |
| 534 | R | A | -1.7102 | |
| 535 | F | A | -0.6841 | |
| 536 | V | A | 0.0000 | |
| 537 | A | A | 0.2099 | |
| 538 | Y | A | 1.1455 | |
| 539 | L | A | 0.5051 | |
| 540 | S | A | 0.1511 | |
| 541 | D | A | -0.2374 | |
| 542 | V | A | 0.7300 | |
| 543 | G | A | -0.3790 | |
| 544 | S | A | -0.7795 | |
| 545 | A | A | 0.0000 | |
| 546 | D | A | -1.6867 | |
| 547 | D | A | -2.0566 | |
| 548 | L | A | 0.0000 | |
| 549 | T | A | 0.0000 | |
| 550 | Q | A | -1.2889 | |
| 551 | E | A | -1.2290 | |
| 552 | T | A | 0.0000 | |
| 553 | F | A | 0.0000 | |
| 554 | L | A | -0.2075 | |
| 555 | R | A | -0.8355 | |
| 556 | A | A | 0.0000 | |
| 557 | I | A | -0.2617 | |
| 558 | G | A | -0.8644 | |
| 559 | A | A | -0.8545 | |
| 560 | I | A | 0.0000 | |
| 561 | P | A | -1.6316 | |
| 562 | R | A | -2.2129 | |
| 563 | F | A | 0.0000 | |
| 564 | S | A | -1.1807 | |
| 565 | A | A | -1.2819 | |
| 566 | R | A | -1.9312 | |
| 567 | S | A | -1.0773 | |
| 568 | S | A | -1.0998 | |
| 569 | A | A | 0.0000 | |
| 570 | R | A | -0.9053 | |
| 571 | T | A | -0.0888 | |
| 572 | W | A | -0.0405 | |
| 573 | L | A | 0.0000 | |
| 574 | L | A | -0.3207 | |
| 575 | A | A | -0.5338 | |
| 576 | I | A | -0.7082 | |
| 577 | A | A | 0.0000 | |
| 578 | R | A | -2.0908 | |
| 579 | H | A | -1.8382 | |
| 580 | V | A | 0.0000 | |
| 581 | V | A | 0.0000 | |
| 582 | A | A | -1.3344 | |
| 583 | D | A | -1.6380 | |
| 584 | H | A | -1.3285 | |
| 585 | I | A | -0.9090 | |
| 586 | R | A | -2.7662 | |
| 587 | H | A | -2.4497 | |
| 588 | V | A | -1.4367 | |
| 589 | R | A | -3.0982 | |
| 590 | S | A | -2.7484 | |
| 591 | R | A | -3.3021 | |
| 592 | P | A | -2.3014 | |
| 593 | R | A | -3.0196 | |
| 594 | T | A | -1.9901 | |
| 595 | T | A | -1.7004 | |
| 596 | R | A | -2.6461 | |
| 597 | G | A | -1.8977 | |
| 598 | A | A | -1.6670 | |
| 599 | R | A | -2.4815 | |
| 600 | P | A | -1.5313 | |
| 601 | G | A | -1.4448 | |
| 602 | S | A | -1.3672 | |
| 603 | G | A | -1.6148 | |
| 604 | H | A | -2.2055 | |
| 605 | H | A | -2.4983 | |
| 606 | H | A | -2.6539 | |
| 607 | H | A | -2.5928 | |
| 608 | H | A | -2.3300 | |
| 609 | H | A | -1.8262 |
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 | 0.0439 | 6.4512 | View | CSV | PDB |
| 4.5 | -0.03 | 6.4512 | View | CSV | PDB |
| 5.0 | -0.1244 | 6.4512 | View | CSV | PDB |
| 5.5 | -0.2212 | 6.4512 | View | CSV | PDB |
| 6.0 | -0.3051 | 6.4512 | View | CSV | PDB |
| 6.5 | -0.3673 | 6.4512 | View | CSV | PDB |
| 7.0 | -0.4057 | 6.4512 | View | CSV | PDB |
| 7.5 | -0.4258 | 6.4512 | View | CSV | PDB |
| 8.0 | -0.4351 | 6.4512 | View | CSV | PDB |
| 8.5 | -0.4366 | 6.4512 | View | CSV | PDB |
| 9.0 | -0.4293 | 6.4512 | 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