| Chain sequence(s) |
A: MADHNPDSDSTPRTLLRRVLDTADPRTPRRPRSARAGARRALLETASPRKLSGQTRTIARGRSHGARSVGRSAHIQASGHLEEQTPRTLLKNILLTAPESSILMPESVVKPVPAPQAVQPSRQESSCGSLELQLPELEPPTTLAPGLLAPGRRKQRLRLSVFQQGVDQGLSLSQEPQGNADASSLTRSLNLTFATPLQPQSVQRPGLARRPPARRAVDVGAFLRDLRDTSLAPPNIVLEDTQPFSQPMVGSPNVYHSLPCTPHTGAEDAEQAAGRKTQSSGPGLQKNSPGKPAQFLAGEAEEVNAFALGFLSTSSGVSGEDEVEPLHDGVEEAEKKMEEEGVSVSEMEATGAQGPSRVEEAEGHTEVTEAEGSQGTAEADGPGASSGDEDASGRAASPESASSTPESLQARRHHQFLEPAPAPGAAVLSSEPAEPLLVRHPPRPRTTGPRPRQDPHKAGLSHYVKLFSFYAKMPMERKALEMVEKCLDKYFQHLCDDLEVFAAHAGRKTVKPEDLELLMRRQGLVTDQVSLHVLVERHLPLEYRQLLIPCAYSGNSVFPAQ
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:03)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1e2fca970d5b3cb/tmp/folded.pdb (00:07:03)
[INFO] Main: Simulation completed successfully. (00:10:18)
|
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 | 0.4784 | |
| 2 | A | A | -0.7158 | |
| 3 | D | A | -2.2991 | |
| 4 | H | A | -2.6448 | |
| 5 | N | A | -3.0919 | |
| 6 | P | A | -2.6115 | |
| 7 | D | A | -3.0844 | |
| 8 | S | A | -2.4683 | |
| 9 | D | A | -2.6942 | |
| 10 | S | A | -1.4597 | |
| 11 | T | A | -1.2277 | |
| 12 | P | A | -1.1127 | |
| 13 | R | A | -1.6218 | |
| 14 | T | A | -1.0256 | |
| 15 | L | A | 0.0809 | |
| 16 | L | A | -0.2948 | |
| 17 | R | A | -2.1503 | |
| 18 | R | A | -1.6827 | |
| 19 | V | A | 0.4066 | |
| 20 | L | A | -1.1474 | |
| 21 | D | A | -2.3576 | |
| 22 | T | A | -1.4926 | |
| 23 | A | A | -1.5351 | |
| 24 | D | A | -2.7599 | |
| 25 | P | A | -2.2180 | |
| 26 | R | A | -2.8484 | |
| 27 | T | A | -2.2156 | |
| 28 | P | A | -2.2595 | |
| 29 | R | A | -3.4839 | |
| 30 | R | A | -3.4440 | |
| 31 | P | A | -2.6165 | |
| 32 | R | A | -3.0614 | |
| 33 | S | A | -1.8877 | |
| 34 | A | A | -1.5542 | |
| 35 | R | A | -2.2187 | |
| 36 | A | A | -1.2886 | |
| 37 | G | A | -1.5133 | |
| 38 | A | A | -1.6851 | |
| 39 | R | A | -2.6251 | |
| 40 | R | A | -2.1714 | |
| 41 | A | A | -0.2712 | |
| 42 | L | A | 1.2305 | |
| 43 | L | A | 1.0667 | |
| 44 | E | A | -0.6038 | |
| 45 | T | A | -0.6310 | |
| 46 | A | A | -0.5155 | |
| 47 | S | A | -0.6762 | |
| 48 | P | A | -1.5906 | |
| 49 | R | A | -2.6106 | |
| 50 | K | A | -2.0716 | |
| 51 | L | A | 0.0895 | |
| 52 | S | A | -0.2051 | |
| 53 | G | A | -1.1602 | |
| 54 | Q | A | -1.9612 | |
| 55 | T | A | -1.6814 | |
| 56 | R | A | -1.8091 | |
| 57 | T | A | 0.0233 | |
| 58 | I | A | 1.2670 | |
| 59 | A | A | -0.0113 | |
| 60 | R | A | -2.0850 | |
| 61 | G | A | -2.2807 | |
| 62 | R | A | -2.8255 | |
| 63 | S | A | -1.8390 | |
| 64 | H | A | -1.9314 | |
| 65 | G | A | -1.3630 | |
| 66 | A | A | -1.3796 | |
| 67 | R | A | -1.8704 | |
| 68 | S | A | -0.7728 | |
| 69 | V | A | -0.0799 | |
| 70 | G | A | -1.0532 | |
| 71 | R | A | -1.9680 | |
| 72 | S | A | -1.0782 | |
| 73 | A | A | -0.5938 | |
| 74 | H | A | -0.5749 | |
| 75 | I | A | 0.9358 | |
| 76 | Q | A | -0.5894 | |
| 77 | A | A | -0.3218 | |
| 78 | S | A | -0.5443 | |
| 79 | G | A | -1.0710 | |
| 80 | H | A | -1.2561 | |
| 81 | L | A | -0.6255 | |
| 82 | E | A | -2.4809 | |
| 83 | E | A | -2.9288 | |
| 84 | Q | A | -2.0853 | |
| 85 | T | A | -1.4371 | |
| 86 | P | A | -0.7373 | |
| 87 | R | A | -0.9464 | |
| 88 | T | A | 0.0000 | |
| 89 | L | A | 0.4697 | |
| 90 | L | A | 0.6788 | |
| 91 | K | A | -0.4164 | |
| 92 | N | A | 0.0022 | |
| 93 | I | A | 1.1925 | |
| 94 | L | A | 0.2882 | |
| 95 | L | A | 1.1806 | |
| 96 | T | A | 0.4358 | |
| 97 | A | A | -0.1001 | |
| 98 | P | A | -0.7329 | |
| 99 | E | A | -1.8958 | |
| 100 | S | A | -0.6199 | |
| 101 | S | A | 0.6951 | |
| 102 | I | A | 2.4006 | |
| 103 | L | A | 2.6532 | |
| 104 | M | A | 1.6560 | |
| 105 | P | A | 0.2566 | |
| 106 | E | A | -0.7016 | |
| 107 | S | A | 0.1652 | |
| 108 | V | A | 1.5459 | |
| 109 | V | A | 1.6686 | |
| 110 | K | A | -0.1420 | |
| 111 | P | A | 0.3871 | |
| 112 | V | A | 1.3636 | |
| 113 | P | A | 0.5008 | |
| 114 | A | A | -0.1029 | |
| 115 | P | A | -0.8439 | |
| 116 | Q | A | -1.0178 | |
| 117 | A | A | -0.0800 | |
| 118 | V | A | 0.9140 | |
| 119 | Q | A | -0.6282 | |
| 120 | P | A | -1.0708 | |
| 121 | S | A | -1.7097 | |
| 122 | R | A | -3.1580 | |
| 123 | Q | A | -3.2827 | |
| 124 | E | A | -2.9174 | |
| 125 | S | A | -1.5159 | |
| 126 | S | A | -0.7197 | |
| 127 | C | A | 0.0900 | |
| 128 | G | A | -0.1237 | |
| 129 | S | A | 0.1159 | |
| 130 | L | A | 0.7175 | |
| 131 | E | A | -0.5611 | |
| 132 | L | A | 0.9099 | |
| 133 | Q | A | -0.3371 | |
| 134 | L | A | 0.7830 | |
| 135 | P | A | -0.2981 | |
| 136 | E | A | -1.4873 | |
| 137 | L | A | -0.1710 | |
| 138 | E | A | -1.8006 | |
| 139 | P | A | -1.1400 | |
| 140 | P | A | -0.4974 | |
| 141 | T | A | -0.2351 | |
| 142 | T | A | 0.5265 | |
| 143 | L | A | 1.3733 | |
| 144 | A | A | 0.5504 | |
| 145 | P | A | 0.4209 | |
| 146 | G | A | 0.7156 | |
| 147 | L | A | 2.0326 | |
| 148 | L | A | 2.0585 | |
| 149 | A | A | 0.6581 | |
| 150 | P | A | -0.7240 | |
| 151 | G | A | -1.9848 | |
| 152 | R | A | -3.6071 | |
| 153 | R | A | -4.2638 | |
| 154 | K | A | -4.0531 | |
| 155 | Q | A | -3.5954 | |
| 156 | R | A | -2.9258 | |
| 157 | L | A | -0.2594 | |
| 158 | R | A | -0.9034 | |
| 159 | L | A | 0.3182 | |
| 160 | S | A | 0.5566 | |
| 161 | V | A | 1.5672 | |
| 162 | F | A | 1.5767 | |
| 163 | Q | A | -0.6696 | |
| 164 | Q | A | -1.4146 | |
| 165 | G | A | -0.2588 | |
| 166 | V | A | 0.3369 | |
| 167 | D | A | -1.9168 | |
| 168 | Q | A | -1.8603 | |
| 169 | G | A | -0.4598 | |
| 170 | L | A | 1.3488 | |
| 171 | S | A | 0.6281 | |
| 172 | L | A | 1.4768 | |
| 173 | S | A | -0.4426 | |
| 174 | Q | A | -2.0863 | |
| 175 | E | A | -2.9744 | |
| 176 | P | A | -2.2778 | |
| 177 | Q | A | -2.4725 | |
| 178 | G | A | -1.9614 | |
| 179 | N | A | -2.0924 | |
| 180 | A | A | -1.5204 | |
| 181 | D | A | -2.0643 | |
| 182 | A | A | -0.8286 | |
| 183 | S | A | -0.3961 | |
| 184 | S | A | -0.1048 | |
| 185 | L | A | 0.9083 | |
| 186 | T | A | -0.3364 | |
| 187 | R | A | -1.4610 | |
| 188 | S | A | -0.5121 | |
| 189 | L | A | 0.7899 | |
| 190 | N | A | 0.1361 | |
| 191 | L | A | 1.8091 | |
| 192 | T | A | 1.4527 | |
| 193 | F | A | 2.1418 | |
| 194 | A | A | 1.2217 | |
| 195 | T | A | 0.5199 | |
| 196 | P | A | 0.4043 | |
| 197 | L | A | 0.6430 | |
| 198 | Q | A | -0.9681 | |
| 199 | P | A | -0.8663 | |
| 200 | Q | A | -1.2299 | |
| 201 | S | A | -0.6777 | |
| 202 | V | A | 0.2344 | |
| 203 | Q | A | -1.5368 | |
| 204 | R | A | -2.0550 | |
| 205 | P | A | -1.1006 | |
| 206 | G | A | -0.7340 | |
| 207 | L | A | 0.3502 | |
| 208 | A | A | -0.8000 | |
| 209 | R | A | -2.4502 | |
| 210 | R | A | -2.6863 | |
| 211 | P | A | -1.9362 | |
| 212 | P | A | -1.7710 | |
| 213 | A | A | -1.7662 | |
| 214 | R | A | -2.5457 | |
| 215 | R | A | -2.4749 | |
| 216 | A | A | -0.6960 | |
| 217 | V | A | 0.8837 | |
| 218 | D | A | 0.1251 | |
| 219 | V | A | 1.5563 | |
| 220 | G | A | 0.3556 | |
| 221 | A | A | 0.0223 | |
| 222 | F | A | 0.9026 | |
| 223 | L | A | -0.0487 | |
| 224 | R | A | -2.3468 | |
| 225 | D | A | -2.3759 | |
| 226 | L | A | -0.6660 | |
| 227 | R | A | -2.6169 | |
| 228 | D | A | -2.7986 | |
| 229 | T | A | -1.4006 | |
| 230 | S | A | -0.7934 | |
| 231 | L | A | 0.6809 | |
| 232 | A | A | 0.1215 | |
| 233 | P | A | -0.1184 | |
| 234 | P | A | -0.2224 | |
| 235 | N | A | 0.0728 | |
| 236 | I | A | 2.2996 | |
| 237 | V | A | 2.4877 | |
| 238 | L | A | 1.3925 | |
| 239 | E | A | -1.1903 | |
| 240 | D | A | -2.4300 | |
| 241 | T | A | -1.6297 | |
| 242 | Q | A | -1.3085 | |
| 243 | P | A | -0.2511 | |
| 244 | F | A | 1.1151 | |
| 245 | S | A | -0.0023 | |
| 246 | Q | A | -0.7573 | |
| 247 | P | A | 0.1555 | |
| 248 | M | A | 1.3664 | |
| 249 | V | A | 1.9492 | |
| 250 | G | A | 0.2886 | |
| 251 | S | A | -0.4200 | |
| 252 | P | A | -0.6847 | |
| 253 | N | A | -0.3430 | |
| 254 | V | A | 1.5166 | |
| 255 | Y | A | 1.5188 | |
| 256 | H | A | 0.3081 | |
| 257 | S | A | 0.3024 | |
| 258 | L | A | 1.3475 | |
| 259 | P | A | 0.7936 | |
| 260 | C | A | 0.8682 | |
| 261 | T | A | 0.0236 | |
| 262 | P | A | -0.7301 | |
| 263 | H | A | -1.2750 | |
| 264 | T | A | -0.8561 | |
| 265 | G | A | -1.2976 | |
| 266 | A | A | -1.6118 | |
| 267 | E | A | -2.9127 | |
| 268 | D | A | -3.1946 | |
| 269 | A | A | -2.3227 | |
| 270 | E | A | -2.7957 | |
| 271 | Q | A | -2.2244 | |
| 272 | A | A | -1.0100 | |
| 273 | A | A | -0.7768 | |
| 274 | G | A | -1.7954 | |
| 275 | R | A | -3.0100 | |
| 276 | K | A | -2.9952 | |
| 277 | T | A | -2.0059 | |
| 278 | Q | A | -1.9525 | |
| 279 | S | A | -1.0161 | |
| 280 | S | A | -0.8880 | |
| 281 | G | A | -0.7254 | |
| 282 | P | A | -0.4770 | |
| 283 | G | A | -0.2820 | |
| 284 | L | A | 0.1803 | |
| 285 | Q | A | -1.7143 | |
| 286 | K | A | -2.6583 | |
| 287 | N | A | -2.4940 | |
| 288 | S | A | -1.3933 | |
| 289 | P | A | -1.1912 | |
| 290 | G | A | -1.4887 | |
| 291 | K | A | -2.0857 | |
| 292 | P | A | -1.4074 | |
| 293 | A | A | -0.4419 | |
| 294 | Q | A | 0.0912 | |
| 295 | F | A | 2.2216 | |
| 296 | L | A | 2.2528 | |
| 297 | A | A | 0.6996 | |
| 298 | G | A | -0.9773 | |
| 299 | E | A | -2.6023 | |
| 300 | A | A | -2.1840 | |
| 301 | E | A | -2.8249 | |
| 302 | E | A | -2.4579 | |
| 303 | V | A | -0.1726 | |
| 304 | N | A | -0.3176 | |
| 305 | A | A | 0.7769 | |
| 306 | F | A | 2.0024 | |
| 307 | A | A | 1.7325 | |
| 308 | L | A | 2.4152 | |
| 309 | G | A | 1.9076 | |
| 310 | F | A | 2.8072 | |
| 311 | L | A | 2.4207 | |
| 312 | S | A | 0.8579 | |
| 313 | T | A | 0.0029 | |
| 314 | S | A | -0.4970 | |
| 315 | S | A | -0.1385 | |
| 316 | G | A | 0.1913 | |
| 317 | V | A | 1.1128 | |
| 318 | S | A | -0.0852 | |
| 319 | G | A | -1.6157 | |
| 320 | E | A | -3.2247 | |
| 321 | D | A | -3.3358 | |
| 322 | E | A | -2.6091 | |
| 323 | V | A | -0.3620 | |
| 324 | E | A | -1.1106 | |
| 325 | P | A | -0.2372 | |
| 326 | L | A | 0.2102 | |
| 327 | H | A | -1.2587 | |
| 328 | D | A | -1.8502 | |
| 329 | G | A | -1.2805 | |
| 330 | V | A | -0.2406 | |
| 331 | E | A | -1.8054 | |
| 332 | E | A | -2.6899 | |
| 333 | A | A | -2.4809 | |
| 334 | E | A | -3.4426 | |
| 335 | K | A | -3.1694 | |
| 336 | K | A | -3.0811 | |
| 337 | M | A | -1.7748 | |
| 338 | E | A | -3.1395 | |
| 339 | E | A | -3.7595 | |
| 340 | E | A | -2.8917 | |
| 341 | G | A | -1.1586 | |
| 342 | V | A | 1.4419 | |
| 343 | S | A | 1.3606 | |
| 344 | V | A | 1.5808 | |
| 345 | S | A | -0.2267 | |
| 346 | E | A | -1.4894 | |
| 347 | M | A | -0.7455 | |
| 348 | E | A | -1.7533 | |
| 349 | A | A | -0.7058 | |
| 350 | T | A | -0.6772 | |
| 351 | G | A | -0.6936 | |
| 352 | A | A | -0.8577 | |
| 353 | Q | A | -1.5820 | |
| 354 | G | A | -1.3027 | |
| 355 | P | A | -1.2491 | |
| 356 | S | A | -0.9307 | |
| 357 | R | A | -1.5588 | |
| 358 | V | A | -0.4686 | |
| 359 | E | A | -2.2608 | |
| 360 | E | A | -2.6159 | |
| 361 | A | A | -2.3629 | |
| 362 | E | A | -2.6329 | |
| 363 | G | A | -2.0211 | |
| 364 | H | A | -1.9646 | |
| 365 | T | A | -1.2968 | |
| 366 | E | A | -1.2996 | |
| 367 | V | A | 0.3546 | |
| 368 | T | A | -0.5117 | |
| 369 | E | A | -1.9113 | |
| 370 | A | A | -1.6446 | |
| 371 | E | A | -2.4867 | |
| 372 | G | A | -1.8631 | |
| 373 | S | A | -1.5642 | |
| 374 | Q | A | -1.6338 | |
| 375 | G | A | -1.1190 | |
| 376 | T | A | -0.9434 | |
| 377 | A | A | -1.0525 | |
| 378 | E | A | -2.1521 | |
| 379 | A | A | -1.9026 | |
| 380 | D | A | -2.4258 | |
| 381 | G | A | -1.5260 | |
| 382 | P | A | -1.0746 | |
| 383 | G | A | -0.6917 | |
| 384 | A | A | -0.3974 | |
| 385 | S | A | -0.6713 | |
| 386 | S | A | -1.1281 | |
| 387 | G | A | -2.2699 | |
| 388 | D | A | -3.5969 | |
| 389 | E | A | -3.9109 | |
| 390 | D | A | -3.2476 | |
| 391 | A | A | -1.7262 | |
| 392 | S | A | -1.2098 | |
| 393 | G | A | -1.4460 | |
| 394 | R | A | -2.0735 | |
| 395 | A | A | -0.9753 | |
| 396 | A | A | -0.4824 | |
| 397 | S | A | -0.6586 | |
| 398 | P | A | -1.2482 | |
| 399 | E | A | -2.0904 | |
| 400 | S | A | -1.2947 | |
| 401 | A | A | -0.5868 | |
| 402 | S | A | -0.3570 | |
| 403 | S | A | -0.4063 | |
| 404 | T | A | -0.8045 | |
| 405 | P | A | -1.3765 | |
| 406 | E | A | -1.7748 | |
| 407 | S | A | -0.6293 | |
| 408 | L | A | 0.5157 | |
| 409 | Q | A | -1.0925 | |
| 410 | A | A | -1.6242 | |
| 411 | R | A | -3.2136 | |
| 412 | R | A | -3.6871 | |
| 413 | H | A | -2.8616 | |
| 414 | H | A | -1.9732 | |
| 415 | Q | A | -0.9414 | |
| 416 | F | A | 1.4112 | |
| 417 | L | A | 1.2243 | |
| 418 | E | A | -0.8101 | |
| 419 | P | A | -0.9603 | |
| 420 | A | A | -0.5773 | |
| 421 | P | A | -0.4874 | |
| 422 | A | A | -0.2914 | |
| 423 | P | A | -0.4832 | |
| 424 | G | A | -0.5351 | |
| 425 | A | A | 0.2172 | |
| 426 | A | A | 1.1262 | |
| 427 | V | A | 2.5326 | |
| 428 | L | A | 2.2780 | |
| 429 | S | A | 0.4253 | |
| 430 | S | A | -0.9204 | |
| 431 | E | A | -2.0904 | |
| 432 | P | A | -1.6131 | |
| 433 | A | A | -1.2177 | |
| 434 | E | A | -1.3322 | |
| 435 | P | A | 0.2222 | |
| 436 | L | A | 1.8443 | |
| 437 | L | A | 2.2545 | |
| 438 | V | A | 1.6286 | |
| 439 | R | A | -0.9555 | |
| 440 | H | A | -1.6687 | |
| 441 | P | A | -1.6445 | |
| 442 | P | A | -2.0885 | |
| 443 | R | A | -2.8243 | |
| 444 | P | A | -2.1691 | |
| 445 | R | A | -2.6271 | |
| 446 | T | A | -1.4893 | |
| 447 | T | A | -1.2384 | |
| 448 | G | A | -1.4435 | |
| 449 | P | A | -1.7485 | |
| 450 | R | A | -2.9036 | |
| 451 | P | A | -2.6833 | |
| 452 | R | A | -3.4471 | |
| 453 | Q | A | -3.5800 | |
| 454 | D | A | -3.1968 | |
| 455 | P | A | -2.3039 | |
| 456 | H | A | -2.4460 | |
| 457 | K | A | -2.7863 | |
| 458 | A | A | -2.1204 | |
| 459 | G | A | -1.5994 | |
| 460 | L | A | 0.0000 | |
| 461 | S | A | -1.3830 | |
| 462 | H | A | -1.2766 | |
| 463 | Y | A | 0.1088 | |
| 464 | V | A | 0.0000 | |
| 465 | K | A | -0.6818 | |
| 466 | L | A | 0.8575 | |
| 467 | F | A | 1.3444 | |
| 468 | S | A | 0.9783 | |
| 469 | F | A | 2.0924 | |
| 470 | Y | A | 1.8762 | |
| 471 | A | A | 0.7125 | |
| 472 | K | A | -0.1476 | |
| 473 | M | A | 0.4131 | |
| 474 | P | A | -0.5633 | |
| 475 | M | A | -1.0786 | |
| 476 | E | A | -2.4296 | |
| 477 | R | A | -3.4213 | |
| 478 | K | A | -3.2603 | |
| 479 | A | A | -2.0469 | |
| 480 | L | A | -2.0023 | |
| 481 | E | A | -2.9206 | |
| 482 | M | A | -1.1783 | |
| 483 | V | A | -0.9270 | |
| 484 | E | A | -1.8651 | |
| 485 | K | A | -2.2267 | |
| 486 | C | A | -0.9139 | |
| 487 | L | A | -0.8716 | |
| 488 | D | A | -2.1853 | |
| 489 | K | A | -2.2911 | |
| 490 | Y | A | -0.5775 | |
| 491 | F | A | -0.5332 | |
| 492 | Q | A | -2.0737 | |
| 493 | H | A | -2.2846 | |
| 494 | L | A | -0.9580 | |
| 495 | C | A | -0.9616 | |
| 496 | D | A | -2.5826 | |
| 497 | D | A | -1.7483 | |
| 498 | L | A | -0.9643 | |
| 499 | E | A | -2.2782 | |
| 500 | V | A | -0.7003 | |
| 501 | F | A | 0.0000 | |
| 502 | A | A | 0.0000 | |
| 503 | A | A | -1.2340 | |
| 504 | H | A | -1.3153 | |
| 505 | A | A | -0.9467 | |
| 506 | G | A | -1.2287 | |
| 507 | R | A | -1.7656 | |
| 508 | K | A | -2.3323 | |
| 509 | T | A | -1.0954 | |
| 510 | V | A | -0.3514 | |
| 511 | K | A | -1.3514 | |
| 512 | P | A | -1.1236 | |
| 513 | E | A | -1.8827 | |
| 514 | D | A | 0.0000 | |
| 515 | L | A | -0.5297 | |
| 516 | E | A | -1.2009 | |
| 517 | L | A | -1.0144 | |
| 518 | L | A | -1.1022 | |
| 519 | M | A | -1.1778 | |
| 520 | R | A | -2.3160 | |
| 521 | R | A | -2.7502 | |
| 522 | Q | A | -2.2736 | |
| 523 | G | A | -1.4397 | |
| 524 | L | A | -0.1635 | |
| 525 | V | A | 0.0000 | |
| 526 | T | A | -1.6957 | |
| 527 | D | A | -2.4382 | |
| 528 | Q | A | -1.8590 | |
| 529 | V | A | -0.6765 | |
| 530 | S | A | -0.6068 | |
| 531 | L | A | -0.1310 | |
| 532 | H | A | -0.6599 | |
| 533 | V | A | -0.6867 | |
| 534 | L | A | -0.7691 | |
| 535 | V | A | 0.0000 | |
| 536 | E | A | -2.0391 | |
| 537 | R | A | -2.7055 | |
| 538 | H | A | -1.8651 | |
| 539 | L | A | -0.7343 | |
| 540 | P | A | -0.4565 | |
| 541 | L | A | 0.3187 | |
| 542 | E | A | -0.5188 | |
| 543 | Y | A | 0.8510 | |
| 544 | R | A | -0.0486 | |
| 545 | Q | A | 0.2187 | |
| 546 | L | A | 1.4682 | |
| 547 | L | A | 0.9301 | |
| 548 | I | A | 0.4045 | |
| 549 | P | A | 1.2518 | |
| 550 | C | A | 1.2446 | |
| 551 | A | A | 1.2045 | |
| 552 | Y | A | 1.4505 | |
| 553 | S | A | 0.0405 | |
| 554 | G | A | -0.6039 | |
| 555 | N | A | -0.5573 | |
| 556 | S | A | 0.7778 | |
| 557 | V | A | 2.4599 | |
| 558 | F | A | 2.5207 | |
| 559 | P | A | 1.0791 | |
| 560 | A | A | 0.4015 | |
| 561 | Q | A | -0.7842 |
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 | -0.3251 | 6.3151 | View | CSV | PDB |
| 4.5 | -0.4182 | 6.3151 | View | CSV | PDB |
| 5.0 | -0.5374 | 6.3151 | View | CSV | PDB |
| 5.5 | -0.6592 | 6.3151 | View | CSV | PDB |
| 6.0 | -0.7628 | 6.3151 | View | CSV | PDB |
| 6.5 | -0.8363 | 6.3151 | View | CSV | PDB |
| 7.0 | -0.879 | 6.3151 | View | CSV | PDB |
| 7.5 | -0.8994 | 6.3151 | View | CSV | PDB |
| 8.0 | -0.9074 | 6.3151 | View | CSV | PDB |
| 8.5 | -0.9066 | 6.3149 | View | CSV | PDB |
| 9.0 | -0.8961 | 6.3145 | 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