| Chain sequence(s) |
A: MEAKIVKVLDSSRCEDGFGKKRKRAASYAAYVTGVSCAKLQNVPPPNGQCQIPDKRRRLEGENKLSAYENRSGKALVRYYTYFKKTGIAKRVMMYENGEWNDLPEHVICAIQNELEEKSAAIEFKLCGHSFILDFLHMQRLDMETGAKTPLAWIDNAGKCFFPEIYESDERTNYCHHKCVEDPKQNAPHDIKLRLEIDVNGGETPRLNLEECSDESGDNMMDDVPLAQRSSNEHYDEATEDSCSRKLEAAVSKWDETDAIVVSGAKLTGSEVLDKDAVKKMFAVGTASLGHVPVLDVGRFSSEIAEARLALFQKQVEITKKHRGDANVRYAWLPAKREVLSAVMMQGLGVGGAFIRKSIYGVGIHLTAADCPYFSARYCDVDENGVRYMVLCRVIMGNMELLRGDKAQFFSGGEEYDNGVDDIESPKNYIVWNINMNTHIFPEFVVRFKLSNLPNAEGNLIAKRDNSGVTLEGPKDLPPQLESNQGARGSGSANSVGSSTTRPKSPWMPFPTLFAAISHKVAENDMLLINADYQQLRDKKMTRAEFVRKLRVIVGDDLLRSTITTLQNQPKSKEIPGSIRDHEEGAGGL
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 (00:06:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fcfc9b8b96539f7/tmp/folded.pdb (00:06:54)
[INFO] Main: Simulation completed successfully. (00:09:24)
|
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 | M | A | 0.0738 | |
| 2 | E | A | -1.5875 | |
| 3 | A | A | -1.1438 | |
| 4 | K | A | -0.7316 | |
| 5 | I | A | 1.8477 | |
| 6 | V | A | 2.0790 | |
| 7 | K | A | 0.8426 | |
| 8 | V | A | 1.5619 | |
| 9 | L | A | 1.0743 | |
| 10 | D | A | -0.7916 | |
| 11 | S | A | -1.2599 | |
| 12 | S | A | -1.4630 | |
| 13 | R | A | -2.0785 | |
| 14 | C | A | -1.4198 | |
| 15 | E | A | -2.6620 | |
| 16 | D | A | -2.3432 | |
| 17 | G | A | -0.9064 | |
| 18 | F | A | 0.5122 | |
| 19 | G | A | -1.0229 | |
| 20 | K | A | -2.7332 | |
| 21 | K | A | -3.9209 | |
| 22 | R | A | -4.1939 | |
| 23 | K | A | -3.8527 | |
| 24 | R | A | -2.9516 | |
| 25 | A | A | -1.3175 | |
| 26 | A | A | -0.1891 | |
| 27 | S | A | 0.4996 | |
| 28 | Y | A | 1.2602 | |
| 29 | A | A | 0.9406 | |
| 30 | A | A | 1.3613 | |
| 31 | Y | A | 2.2970 | |
| 32 | V | A | 2.3592 | |
| 33 | T | A | 1.3260 | |
| 34 | G | A | 0.7050 | |
| 35 | V | A | 1.5820 | |
| 36 | S | A | 0.9654 | |
| 37 | C | A | 0.6851 | |
| 38 | A | A | -0.1460 | |
| 39 | K | A | -0.9781 | |
| 40 | L | A | -0.1564 | |
| 41 | Q | A | -1.0845 | |
| 42 | N | A | -0.7056 | |
| 43 | V | A | 0.7005 | |
| 44 | P | A | -0.0281 | |
| 45 | P | A | -0.4867 | |
| 46 | P | A | -1.1616 | |
| 47 | N | A | -1.9349 | |
| 48 | G | A | -1.8235 | |
| 49 | Q | A | -1.4161 | |
| 50 | C | A | -0.2066 | |
| 51 | Q | A | -0.5433 | |
| 52 | I | A | 0.6092 | |
| 53 | P | A | -1.1210 | |
| 54 | D | A | -3.0591 | |
| 55 | K | A | -3.9271 | |
| 56 | R | A | -4.3578 | |
| 57 | R | A | -3.9772 | |
| 58 | R | A | -3.1029 | |
| 59 | L | A | -1.1878 | |
| 60 | E | A | -2.2719 | |
| 61 | G | A | -2.5786 | |
| 62 | E | A | -3.1740 | |
| 63 | N | A | -2.9382 | |
| 64 | K | A | -2.0658 | |
| 65 | L | A | 0.2859 | |
| 66 | S | A | 0.1918 | |
| 67 | A | A | -0.1684 | |
| 68 | Y | A | 0.1053 | |
| 69 | E | A | -2.2562 | |
| 70 | N | A | -2.7309 | |
| 71 | R | A | -3.0761 | |
| 72 | S | A | -1.8430 | |
| 73 | G | A | -1.3405 | |
| 74 | K | A | -1.6458 | |
| 75 | A | A | -0.9647 | |
| 76 | L | A | 0.1087 | |
| 77 | V | A | 1.1313 | |
| 78 | R | A | -0.1649 | |
| 79 | Y | A | 0.0000 | |
| 80 | Y | A | 0.2743 | |
| 81 | T | A | -0.3935 | |
| 82 | Y | A | -0.4071 | |
| 83 | F | A | 0.0000 | |
| 84 | K | A | -2.3986 | |
| 85 | K | A | -2.5107 | |
| 86 | T | A | 0.0000 | |
| 87 | G | A | -1.6186 | |
| 88 | I | A | -1.6422 | |
| 89 | A | A | -1.9121 | |
| 90 | K | A | -2.8310 | |
| 91 | R | A | -2.2574 | |
| 92 | V | A | 0.0000 | |
| 93 | M | A | 0.0000 | |
| 94 | M | A | 0.0000 | |
| 95 | Y | A | -1.5310 | |
| 96 | E | A | -2.4134 | |
| 97 | N | A | -2.5804 | |
| 98 | G | A | -2.4873 | |
| 99 | E | A | -2.8902 | |
| 100 | W | A | -1.7276 | |
| 101 | N | A | -2.1480 | |
| 102 | D | A | -1.8329 | |
| 103 | L | A | 0.0000 | |
| 104 | P | A | -1.3662 | |
| 105 | E | A | -2.2273 | |
| 106 | H | A | -1.5781 | |
| 107 | V | A | 0.0000 | |
| 108 | I | A | -1.2758 | |
| 109 | C | A | -0.4553 | |
| 110 | A | A | -0.8317 | |
| 111 | I | A | 0.0000 | |
| 112 | Q | A | -2.6116 | |
| 113 | N | A | -3.2381 | |
| 114 | E | A | -3.2290 | |
| 115 | L | A | 0.0000 | |
| 116 | E | A | -3.9030 | |
| 117 | E | A | -3.6269 | |
| 118 | K | A | -2.6045 | |
| 119 | S | A | -1.5355 | |
| 120 | A | A | -0.6190 | |
| 121 | A | A | -0.6154 | |
| 122 | I | A | 0.0000 | |
| 123 | E | A | -2.1018 | |
| 124 | F | A | 0.0000 | |
| 125 | K | A | -2.0528 | |
| 126 | L | A | -0.7140 | |
| 127 | C | A | 0.0435 | |
| 128 | G | A | -0.8109 | |
| 129 | H | A | -1.3940 | |
| 130 | S | A | -1.5328 | |
| 131 | F | A | 0.0000 | |
| 132 | I | A | -0.8275 | |
| 133 | L | A | 0.0000 | |
| 134 | D | A | -0.6622 | |
| 135 | F | A | 0.0000 | |
| 136 | L | A | 0.1578 | |
| 137 | H | A | -0.0792 | |
| 138 | M | A | 0.0000 | |
| 139 | Q | A | -0.8290 | |
| 140 | R | A | -0.8646 | |
| 141 | L | A | -0.8590 | |
| 142 | D | A | -1.2511 | |
| 143 | M | A | -0.9921 | |
| 144 | E | A | -1.7542 | |
| 145 | T | A | -1.0650 | |
| 146 | G | A | -0.8102 | |
| 147 | A | A | -1.2981 | |
| 148 | K | A | -1.8118 | |
| 149 | T | A | -1.1076 | |
| 150 | P | A | -0.5459 | |
| 151 | L | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | W | A | 0.0000 | |
| 154 | I | A | -0.9497 | |
| 155 | D | A | 0.0000 | |
| 156 | N | A | -2.0693 | |
| 157 | A | A | -1.1811 | |
| 158 | G | A | -1.5637 | |
| 159 | K | A | -1.4138 | |
| 160 | C | A | 0.1083 | |
| 161 | F | A | 0.0000 | |
| 162 | F | A | 1.0089 | |
| 163 | P | A | 0.3051 | |
| 164 | E | A | 0.2006 | |
| 165 | I | A | 0.3740 | |
| 166 | Y | A | -0.2634 | |
| 167 | E | A | -2.2086 | |
| 168 | S | A | -2.2654 | |
| 169 | D | A | -3.5513 | |
| 170 | E | A | -4.0048 | |
| 171 | R | A | -3.4129 | |
| 172 | T | A | -2.1953 | |
| 173 | N | A | -1.8824 | |
| 174 | Y | A | -0.3735 | |
| 175 | C | A | -0.1086 | |
| 176 | H | A | -1.4106 | |
| 177 | H | A | -1.5331 | |
| 178 | K | A | -1.6545 | |
| 179 | C | A | -0.4769 | |
| 180 | V | A | 0.0988 | |
| 181 | E | A | -2.1794 | |
| 182 | D | A | -2.8521 | |
| 183 | P | A | -2.6817 | |
| 184 | K | A | -3.4030 | |
| 185 | Q | A | -3.0367 | |
| 186 | N | A | -2.4842 | |
| 187 | A | A | -1.5790 | |
| 188 | P | A | -1.3796 | |
| 189 | H | A | -1.7867 | |
| 190 | D | A | -1.6745 | |
| 191 | I | A | 0.2557 | |
| 192 | K | A | -0.9511 | |
| 193 | L | A | 0.3652 | |
| 194 | R | A | -0.8170 | |
| 195 | L | A | 0.3279 | |
| 196 | E | A | -0.6876 | |
| 197 | I | A | 0.8033 | |
| 198 | D | A | -0.6775 | |
| 199 | V | A | 0.4523 | |
| 200 | N | A | -1.1920 | |
| 201 | G | A | -1.5459 | |
| 202 | G | A | -1.7388 | |
| 203 | E | A | -2.6121 | |
| 204 | T | A | -1.5514 | |
| 205 | P | A | -1.3882 | |
| 206 | R | A | -1.5954 | |
| 207 | L | A | 0.0893 | |
| 208 | N | A | -0.9771 | |
| 209 | L | A | -0.1936 | |
| 210 | E | A | -1.9544 | |
| 211 | E | A | -2.1517 | |
| 212 | C | A | -0.8538 | |
| 213 | S | A | -1.4840 | |
| 214 | D | A | -2.7176 | |
| 215 | E | A | -2.9728 | |
| 216 | S | A | -2.1153 | |
| 217 | G | A | -2.2183 | |
| 218 | D | A | -2.4989 | |
| 219 | N | A | -1.4668 | |
| 220 | M | A | 0.2321 | |
| 221 | M | A | 0.0769 | |
| 222 | D | A | -1.6445 | |
| 223 | D | A | -1.6998 | |
| 224 | V | A | 0.7581 | |
| 225 | P | A | 0.9754 | |
| 226 | L | A | 1.5713 | |
| 227 | A | A | -0.2559 | |
| 228 | Q | A | -1.7734 | |
| 229 | R | A | -2.5534 | |
| 230 | S | A | -1.7232 | |
| 231 | S | A | -1.7289 | |
| 232 | N | A | -2.5979 | |
| 233 | E | A | -2.7736 | |
| 234 | H | A | -2.1193 | |
| 235 | Y | A | -0.8257 | |
| 236 | D | A | -2.3313 | |
| 237 | E | A | -2.5831 | |
| 238 | A | A | -1.8237 | |
| 239 | T | A | -1.7679 | |
| 240 | E | A | -2.6772 | |
| 241 | D | A | -2.8201 | |
| 242 | S | A | -1.9140 | |
| 243 | C | A | -0.9292 | |
| 244 | S | A | -1.1959 | |
| 245 | R | A | -2.7126 | |
| 246 | K | A | -2.2399 | |
| 247 | L | A | -0.3378 | |
| 248 | E | A | -1.4778 | |
| 249 | A | A | -0.9960 | |
| 250 | A | A | 0.0880 | |
| 251 | V | A | 0.9123 | |
| 252 | S | A | -0.4033 | |
| 253 | K | A | -1.6158 | |
| 254 | W | A | -1.2340 | |
| 255 | D | A | -2.7967 | |
| 256 | E | A | -3.1948 | |
| 257 | T | A | -2.2830 | |
| 258 | D | A | -2.0807 | |
| 259 | A | A | -0.1701 | |
| 260 | I | A | 2.2078 | |
| 261 | V | A | 2.5857 | |
| 262 | V | A | 1.4816 | |
| 263 | S | A | 0.3822 | |
| 264 | G | A | -0.7103 | |
| 265 | A | A | -0.8037 | |
| 266 | K | A | -1.7875 | |
| 267 | L | A | -0.6783 | |
| 268 | T | A | -0.4716 | |
| 269 | G | A | 0.0000 | |
| 270 | S | A | -0.2411 | |
| 271 | E | A | -0.1208 | |
| 272 | V | A | 1.2411 | |
| 273 | L | A | 0.0000 | |
| 274 | D | A | -0.6368 | |
| 275 | K | A | -2.4288 | |
| 276 | D | A | -2.1536 | |
| 277 | A | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | K | A | -2.1150 | |
| 280 | K | A | -1.5960 | |
| 281 | M | A | -0.9226 | |
| 282 | F | A | 0.0000 | |
| 283 | A | A | -0.0732 | |
| 284 | V | A | 1.0124 | |
| 285 | G | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | A | A | 0.4104 | |
| 288 | S | A | 0.1627 | |
| 289 | L | A | -0.1555 | |
| 290 | G | A | -0.5477 | |
| 291 | H | A | -1.0886 | |
| 292 | V | A | -0.0910 | |
| 293 | P | A | -0.1787 | |
| 294 | V | A | -0.1385 | |
| 295 | L | A | 0.4458 | |
| 296 | D | A | -0.5468 | |
| 297 | V | A | 0.0000 | |
| 298 | G | A | 0.0000 | |
| 299 | R | A | -0.6952 | |
| 300 | F | A | -0.3993 | |
| 301 | S | A | -0.7653 | |
| 302 | S | A | -1.1110 | |
| 303 | E | A | -2.0325 | |
| 304 | I | A | -0.4524 | |
| 305 | A | A | 0.0000 | |
| 306 | E | A | -1.9564 | |
| 307 | A | A | -0.8547 | |
| 308 | R | A | -0.5966 | |
| 309 | L | A | -0.6537 | |
| 310 | A | A | -0.5741 | |
| 311 | L | A | -0.4990 | |
| 312 | F | A | 0.0000 | |
| 313 | Q | A | -1.5209 | |
| 314 | K | A | -2.1208 | |
| 315 | Q | A | -1.5152 | |
| 316 | V | A | -1.9581 | |
| 317 | E | A | -2.8708 | |
| 318 | I | A | -2.0615 | |
| 319 | T | A | 0.0000 | |
| 320 | K | A | -4.1391 | |
| 321 | K | A | -3.6515 | |
| 322 | H | A | -3.2415 | |
| 323 | R | A | -3.2035 | |
| 324 | G | A | -3.1647 | |
| 325 | D | A | -3.5478 | |
| 326 | A | A | 0.0000 | |
| 327 | N | A | -1.3007 | |
| 328 | V | A | -0.5627 | |
| 329 | R | A | -0.4095 | |
| 330 | Y | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | W | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -1.6919 | |
| 337 | R | A | -3.0711 | |
| 338 | E | A | -2.8490 | |
| 339 | V | A | 0.0000 | |
| 340 | L | A | -0.9103 | |
| 341 | S | A | -0.3898 | |
| 342 | A | A | -0.3989 | |
| 343 | V | A | 0.0000 | |
| 344 | M | A | 0.0000 | |
| 345 | M | A | 0.5126 | |
| 346 | Q | A | -0.7036 | |
| 347 | G | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | G | A | -0.4231 | |
| 350 | V | A | -0.1481 | |
| 351 | G | A | -0.3694 | |
| 352 | G | A | -0.3242 | |
| 353 | A | A | -0.1357 | |
| 354 | F | A | 0.0000 | |
| 355 | I | A | -0.1462 | |
| 356 | R | A | -1.0306 | |
| 357 | K | A | -1.5590 | |
| 358 | S | A | -0.5152 | |
| 359 | I | A | 0.6388 | |
| 360 | Y | A | -0.1330 | |
| 361 | G | A | 0.0000 | |
| 362 | V | A | -0.0903 | |
| 363 | G | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | H | A | -0.3213 | |
| 366 | L | A | 0.0000 | |
| 367 | T | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | A | A | -1.1257 | |
| 370 | D | A | -1.5542 | |
| 371 | C | A | -0.4889 | |
| 372 | P | A | 0.0000 | |
| 373 | Y | A | 0.4442 | |
| 374 | F | A | 0.4204 | |
| 375 | S | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | R | A | -0.9442 | |
| 378 | Y | A | 0.5191 | |
| 379 | C | A | 0.0000 | |
| 380 | D | A | -0.3863 | |
| 381 | V | A | 0.0257 | |
| 382 | D | A | -1.7253 | |
| 383 | E | A | -2.4503 | |
| 384 | N | A | -2.1079 | |
| 385 | G | A | -1.1216 | |
| 386 | V | A | 0.0000 | |
| 387 | R | A | -0.8928 | |
| 388 | Y | A | 0.0000 | |
| 389 | M | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | C | A | 0.0000 | |
| 393 | R | A | -0.2574 | |
| 394 | V | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | M | A | 0.0000 | |
| 397 | G | A | 0.0000 | |
| 398 | N | A | -1.6058 | |
| 399 | M | A | 0.0847 | |
| 400 | E | A | 0.0000 | |
| 401 | L | A | 1.0274 | |
| 402 | L | A | 0.0000 | |
| 403 | R | A | -1.7016 | |
| 404 | G | A | -0.8787 | |
| 405 | D | A | -1.3902 | |
| 406 | K | A | -1.6785 | |
| 407 | A | A | -0.5618 | |
| 408 | Q | A | -0.1665 | |
| 409 | F | A | 1.0467 | |
| 410 | F | A | 1.6925 | |
| 411 | S | A | 0.1420 | |
| 412 | G | A | -0.6074 | |
| 413 | G | A | -1.4099 | |
| 414 | E | A | -2.5973 | |
| 415 | E | A | -2.8533 | |
| 416 | Y | A | -1.1171 | |
| 417 | D | A | -0.8471 | |
| 418 | N | A | 0.0000 | |
| 419 | G | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | D | A | -0.5197 | |
| 422 | D | A | -0.8284 | |
| 423 | I | A | 0.0877 | |
| 424 | E | A | -1.7149 | |
| 425 | S | A | -1.4335 | |
| 426 | P | A | -1.0992 | |
| 427 | K | A | -1.2533 | |
| 428 | N | A | 0.0000 | |
| 429 | Y | A | 0.0000 | |
| 430 | I | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | W | A | 0.0000 | |
| 433 | N | A | 0.4730 | |
| 434 | I | A | 0.7568 | |
| 435 | N | A | 0.1895 | |
| 436 | M | A | -0.0912 | |
| 437 | N | A | -0.6399 | |
| 438 | T | A | -0.3643 | |
| 439 | H | A | 0.0000 | |
| 440 | I | A | 0.0000 | |
| 441 | F | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | E | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | V | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | R | A | -0.8281 | |
| 448 | F | A | 0.0000 | |
| 449 | K | A | -0.8135 | |
| 450 | L | A | -0.5721 | |
| 451 | S | A | -0.6967 | |
| 452 | N | A | -0.9847 | |
| 453 | L | A | 0.2935 | |
| 454 | P | A | -0.7786 | |
| 455 | N | A | -1.6946 | |
| 456 | A | A | -1.6302 | |
| 457 | E | A | -2.5078 | |
| 458 | G | A | -1.5095 | |
| 459 | N | A | -0.5471 | |
| 460 | L | A | 1.3794 | |
| 461 | I | A | 1.6490 | |
| 462 | A | A | -0.1688 | |
| 463 | K | A | -2.3620 | |
| 464 | R | A | -3.6250 | |
| 465 | D | A | -3.8739 | |
| 466 | N | A | -3.0225 | |
| 467 | S | A | -1.2097 | |
| 468 | G | A | -0.2338 | |
| 469 | V | A | 1.7855 | |
| 470 | T | A | 0.9882 | |
| 471 | L | A | 0.8448 | |
| 472 | E | A | -1.3116 | |
| 473 | G | A | -1.5300 | |
| 474 | P | A | -2.1077 | |
| 475 | K | A | -2.5951 | |
| 476 | D | A | -2.1276 | |
| 477 | L | A | 0.1171 | |
| 478 | P | A | -0.2973 | |
| 479 | P | A | -0.2904 | |
| 480 | Q | A | -0.8998 | |
| 481 | L | A | -0.0674 | |
| 482 | E | A | -1.6978 | |
| 483 | S | A | -1.7402 | |
| 484 | N | A | -2.4402 | |
| 485 | Q | A | -2.0834 | |
| 486 | G | A | -1.6156 | |
| 487 | A | A | -1.4131 | |
| 488 | R | A | -2.1805 | |
| 489 | G | A | -1.5481 | |
| 490 | S | A | -1.1312 | |
| 491 | G | A | -0.7747 | |
| 492 | S | A | -0.7476 | |
| 493 | A | A | -0.8151 | |
| 494 | N | A | -1.0293 | |
| 495 | S | A | -0.1041 | |
| 496 | V | A | 1.0799 | |
| 497 | G | A | 0.0458 | |
| 498 | S | A | -0.1709 | |
| 499 | S | A | -0.5273 | |
| 500 | T | A | -0.8182 | |
| 501 | T | A | -1.4325 | |
| 502 | R | A | -2.5488 | |
| 503 | P | A | -1.9039 | |
| 504 | K | A | -2.3365 | |
| 505 | S | A | -1.0828 | |
| 506 | P | A | -0.0875 | |
| 507 | W | A | 0.9138 | |
| 508 | M | A | 0.7522 | |
| 509 | P | A | 0.3293 | |
| 510 | F | A | 0.3328 | |
| 511 | P | A | -0.1000 | |
| 512 | T | A | 0.1242 | |
| 513 | L | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | A | A | -0.3143 | |
| 516 | A | A | -0.3245 | |
| 517 | I | A | 0.0000 | |
| 518 | S | A | -1.2033 | |
| 519 | H | A | -2.0092 | |
| 520 | K | A | -2.2465 | |
| 521 | V | A | -1.4204 | |
| 522 | A | A | -1.5270 | |
| 523 | E | A | -2.3367 | |
| 524 | N | A | -1.6595 | |
| 525 | D | A | -0.8836 | |
| 526 | M | A | -0.6330 | |
| 527 | L | A | 0.6802 | |
| 528 | L | A | 0.5620 | |
| 529 | I | A | 0.0000 | |
| 530 | N | A | -0.5535 | |
| 531 | A | A | -0.3207 | |
| 532 | D | A | 0.0000 | |
| 533 | Y | A | -1.6708 | |
| 534 | Q | A | -2.7924 | |
| 535 | Q | A | -3.2943 | |
| 536 | L | A | -3.2293 | |
| 537 | R | A | -3.3981 | |
| 538 | D | A | -3.6729 | |
| 539 | K | A | -4.0137 | |
| 540 | K | A | -3.6766 | |
| 541 | M | A | 0.0000 | |
| 542 | T | A | -2.5839 | |
| 543 | R | A | -3.0503 | |
| 544 | A | A | -1.9412 | |
| 545 | E | A | -2.7412 | |
| 546 | F | A | 0.0000 | |
| 547 | V | A | -1.7523 | |
| 548 | R | A | -2.8256 | |
| 549 | K | A | -1.8551 | |
| 550 | L | A | 0.0000 | |
| 551 | R | A | -1.8455 | |
| 552 | V | A | 0.3571 | |
| 553 | I | A | 0.2249 | |
| 554 | V | A | 0.0000 | |
| 555 | G | A | -1.1797 | |
| 556 | D | A | -2.2470 | |
| 557 | D | A | -2.9125 | |
| 558 | L | A | -1.8781 | |
| 559 | L | A | 0.0000 | |
| 560 | R | A | -2.5763 | |
| 561 | S | A | -1.5127 | |
| 562 | T | A | 0.0000 | |
| 563 | I | A | -0.5063 | |
| 564 | T | A | -0.9858 | |
| 565 | T | A | -0.9239 | |
| 566 | L | A | -0.7164 | |
| 567 | Q | A | -1.1023 | |
| 568 | N | A | -2.1872 | |
| 569 | Q | A | -2.4118 | |
| 570 | P | A | -2.2967 | |
| 571 | K | A | -3.0102 | |
| 572 | S | A | -2.2689 | |
| 573 | K | A | -2.7074 | |
| 574 | E | A | -1.9735 | |
| 575 | I | A | 0.4778 | |
| 576 | P | A | -0.1763 | |
| 577 | G | A | 0.2130 | |
| 578 | S | A | 0.0775 | |
| 579 | I | A | 0.5314 | |
| 580 | R | A | -2.0694 | |
| 581 | D | A | -3.1791 | |
| 582 | H | A | -3.6036 | |
| 583 | E | A | -3.6897 | |
| 584 | E | A | -3.1376 | |
| 585 | G | A | -1.8004 | |
| 586 | A | A | -0.9479 | |
| 587 | G | A | -0.4405 | |
| 588 | G | A | 0.1042 | |
| 589 | L | A | 1.2132 |
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 | -0.7964 | 4.402 | View | CSV | PDB |
| 4.5 | -0.8873 | 4.4027 | View | CSV | PDB |
| 5.0 | -0.9996 | 4.4048 | View | CSV | PDB |
| 5.5 | -1.1107 | 4.4111 | View | CSV | PDB |
| 6.0 | -1.1965 | 4.427 | View | CSV | PDB |
| 6.5 | -1.241 | 4.4583 | View | CSV | PDB |
| 7.0 | -1.2444 | 4.5039 | View | CSV | PDB |
| 7.5 | -1.2199 | 4.5575 | View | CSV | PDB |
| 8.0 | -1.1799 | 4.6144 | View | CSV | PDB |
| 8.5 | -1.1289 | 4.6723 | View | CSV | PDB |
| 9.0 | -1.0663 | 4.7302 | 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