| 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] (00:00:01)
[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 (00:06:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/24a5a2791dfcff4/tmp/folded.pdb (00:06:31)
[INFO] Main: Simulation completed successfully. (00:09:04)
|
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 | 0.1752 | |
| 2 | E | A | -1.6316 | |
| 3 | A | A | -0.9747 | |
| 4 | K | A | -0.7260 | |
| 5 | I | A | 1.6636 | |
| 6 | V | A | 1.9194 | |
| 7 | K | A | 0.8437 | |
| 8 | V | A | 1.6342 | |
| 9 | L | A | 0.9379 | |
| 10 | D | A | -1.0296 | |
| 11 | S | A | -1.1778 | |
| 12 | S | A | -1.2922 | |
| 13 | R | A | -2.1773 | |
| 14 | C | A | -1.6648 | |
| 15 | E | A | -2.9327 | |
| 16 | D | A | -2.4658 | |
| 17 | G | A | -0.9662 | |
| 18 | F | A | 0.7654 | |
| 19 | G | A | -0.7752 | |
| 20 | K | A | -2.7109 | |
| 21 | K | A | -3.8908 | |
| 22 | R | A | -4.3137 | |
| 23 | K | A | -3.9590 | |
| 24 | R | A | -3.2000 | |
| 25 | A | A | -1.2642 | |
| 26 | A | A | -0.1241 | |
| 27 | S | A | 0.4793 | |
| 28 | Y | A | 1.4202 | |
| 29 | A | A | 1.0711 | |
| 30 | A | A | 1.5145 | |
| 31 | Y | A | 2.3986 | |
| 32 | V | A | 2.3611 | |
| 33 | T | A | 1.2613 | |
| 34 | G | A | 0.8388 | |
| 35 | V | A | 1.5785 | |
| 36 | S | A | 0.9418 | |
| 37 | C | A | 0.6742 | |
| 38 | A | A | -0.1680 | |
| 39 | K | A | -0.9923 | |
| 40 | L | A | -0.1281 | |
| 41 | Q | A | -1.0495 | |
| 42 | N | A | -0.7496 | |
| 43 | V | A | 0.7043 | |
| 44 | P | A | 0.2978 | |
| 45 | P | A | -0.4041 | |
| 46 | P | A | -1.1411 | |
| 47 | N | A | -1.9318 | |
| 48 | G | A | -1.5514 | |
| 49 | Q | A | -1.4045 | |
| 50 | C | A | -0.1290 | |
| 51 | Q | A | -0.4347 | |
| 52 | I | A | 0.8604 | |
| 53 | P | A | -0.9854 | |
| 54 | D | A | -2.9119 | |
| 55 | K | A | -4.3230 | |
| 56 | R | A | -4.3034 | |
| 57 | R | A | -3.9866 | |
| 58 | R | A | -3.1105 | |
| 59 | L | A | -0.9589 | |
| 60 | E | A | -2.3142 | |
| 61 | G | A | -2.7576 | |
| 62 | E | A | -3.4842 | |
| 63 | N | A | -2.9278 | |
| 64 | K | A | -1.9392 | |
| 65 | L | A | 0.4972 | |
| 66 | S | A | -0.1668 | |
| 67 | A | A | -0.5813 | |
| 68 | Y | A | -0.5128 | |
| 69 | E | A | -2.6965 | |
| 70 | N | A | -3.1499 | |
| 71 | R | A | -3.3182 | |
| 72 | S | A | -2.2540 | |
| 73 | G | A | -2.1730 | |
| 74 | K | A | -2.6696 | |
| 75 | A | A | -1.7302 | |
| 76 | L | A | -0.0646 | |
| 77 | V | A | 0.8180 | |
| 78 | R | A | -0.8781 | |
| 79 | Y | A | 0.0000 | |
| 80 | Y | A | 0.3639 | |
| 81 | T | A | -0.5079 | |
| 82 | Y | A | -0.3106 | |
| 83 | F | A | -1.0035 | |
| 84 | K | A | -2.3508 | |
| 85 | K | A | -2.2977 | |
| 86 | T | A | 0.0000 | |
| 87 | G | A | -1.6125 | |
| 88 | I | A | -1.9497 | |
| 89 | A | A | -1.9706 | |
| 90 | K | A | -2.8084 | |
| 91 | R | A | -2.2683 | |
| 92 | V | A | 0.0000 | |
| 93 | M | A | 0.0000 | |
| 94 | M | A | 0.0000 | |
| 95 | Y | A | -1.3637 | |
| 96 | E | A | -2.2365 | |
| 97 | N | A | -2.4942 | |
| 98 | G | A | -2.2251 | |
| 99 | E | A | -2.8901 | |
| 100 | W | A | -1.7991 | |
| 101 | N | A | -2.3753 | |
| 102 | D | A | -2.0842 | |
| 103 | L | A | 0.0000 | |
| 104 | P | A | -1.5492 | |
| 105 | E | A | -2.2774 | |
| 106 | H | A | -1.5983 | |
| 107 | V | A | 0.0000 | |
| 108 | I | A | -1.4090 | |
| 109 | C | A | -0.4902 | |
| 110 | A | A | -0.8737 | |
| 111 | I | A | 0.0000 | |
| 112 | Q | A | -2.7536 | |
| 113 | N | A | -3.3827 | |
| 114 | E | A | -3.4989 | |
| 115 | L | A | 0.0000 | |
| 116 | E | A | -4.0934 | |
| 117 | E | A | -3.8795 | |
| 118 | K | A | -3.0192 | |
| 119 | S | A | -1.9290 | |
| 120 | A | A | -0.6923 | |
| 121 | A | A | -0.6545 | |
| 122 | I | A | 0.0000 | |
| 123 | E | A | -2.0409 | |
| 124 | F | A | 0.0000 | |
| 125 | K | A | -1.9692 | |
| 126 | L | A | -0.5762 | |
| 127 | C | A | 0.1163 | |
| 128 | G | A | -0.6994 | |
| 129 | H | A | -1.1588 | |
| 130 | S | A | -1.3054 | |
| 131 | F | A | -1.0787 | |
| 132 | I | A | -0.6325 | |
| 133 | L | A | 0.0000 | |
| 134 | D | A | -0.3702 | |
| 135 | F | A | 0.0000 | |
| 136 | L | A | 0.1736 | |
| 137 | H | A | -0.1275 | |
| 138 | M | A | 0.0000 | |
| 139 | Q | A | -0.5716 | |
| 140 | R | A | 0.0000 | |
| 141 | L | A | -0.5993 | |
| 142 | D | A | -1.1040 | |
| 143 | M | A | -0.7775 | |
| 144 | E | A | -1.7886 | |
| 145 | T | A | -1.0614 | |
| 146 | G | A | -0.9649 | |
| 147 | A | A | -0.9705 | |
| 148 | K | A | -1.5250 | |
| 149 | T | A | -0.9684 | |
| 150 | P | A | -0.4228 | |
| 151 | L | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | W | A | 0.0000 | |
| 154 | I | A | -0.9492 | |
| 155 | D | A | 0.0000 | |
| 156 | N | A | -2.0404 | |
| 157 | A | A | -1.1901 | |
| 158 | G | A | -1.5808 | |
| 159 | K | A | -1.4885 | |
| 160 | C | A | 0.0442 | |
| 161 | F | A | 0.0000 | |
| 162 | F | A | 0.8638 | |
| 163 | P | A | -0.3102 | |
| 164 | E | A | -0.9938 | |
| 165 | I | A | -0.3173 | |
| 166 | Y | A | -0.9886 | |
| 167 | E | A | -2.4778 | |
| 168 | S | A | -2.4771 | |
| 169 | D | A | -3.4742 | |
| 170 | E | A | -4.0944 | |
| 171 | R | A | -3.6147 | |
| 172 | T | A | -2.0598 | |
| 173 | N | A | -2.0239 | |
| 174 | Y | A | 0.1914 | |
| 175 | C | A | 0.1152 | |
| 176 | H | A | -1.2271 | |
| 177 | H | A | -1.6439 | |
| 178 | K | A | -1.7268 | |
| 179 | C | A | -0.2279 | |
| 180 | V | A | 0.2840 | |
| 181 | E | A | -2.0667 | |
| 182 | D | A | -2.9371 | |
| 183 | P | A | -2.5113 | |
| 184 | K | A | -3.3586 | |
| 185 | Q | A | -2.8991 | |
| 186 | N | A | -2.2592 | |
| 187 | A | A | -1.1943 | |
| 188 | P | A | -1.2002 | |
| 189 | H | A | -1.6736 | |
| 190 | D | A | -1.6357 | |
| 191 | I | A | 0.2661 | |
| 192 | K | A | -1.0075 | |
| 193 | L | A | 0.5182 | |
| 194 | R | A | -0.9681 | |
| 195 | L | A | 0.4507 | |
| 196 | E | A | -0.9548 | |
| 197 | I | A | 1.0729 | |
| 198 | D | A | -0.5599 | |
| 199 | V | A | 0.6697 | |
| 200 | N | A | -1.1694 | |
| 201 | G | A | -1.5815 | |
| 202 | G | A | -2.0342 | |
| 203 | E | A | -2.2789 | |
| 204 | T | A | -1.6118 | |
| 205 | P | A | -1.2534 | |
| 206 | R | A | -1.4577 | |
| 207 | L | A | 0.1382 | |
| 208 | N | A | -0.5520 | |
| 209 | L | A | -0.2300 | |
| 210 | E | A | -1.9304 | |
| 211 | E | A | -2.0091 | |
| 212 | C | A | -1.0346 | |
| 213 | S | A | -1.6471 | |
| 214 | D | A | -2.6682 | |
| 215 | E | A | -3.1492 | |
| 216 | S | A | -2.2485 | |
| 217 | G | A | -2.2820 | |
| 218 | D | A | -2.6832 | |
| 219 | N | A | -1.4334 | |
| 220 | M | A | 0.1342 | |
| 221 | M | A | -0.1028 | |
| 222 | D | A | -1.5367 | |
| 223 | D | A | -1.6058 | |
| 224 | V | A | 0.7995 | |
| 225 | P | A | 1.1127 | |
| 226 | L | A | 1.5855 | |
| 227 | A | A | -0.1866 | |
| 228 | Q | A | -1.7768 | |
| 229 | R | A | -2.5824 | |
| 230 | S | A | -1.9024 | |
| 231 | S | A | -1.7349 | |
| 232 | N | A | -2.6708 | |
| 233 | E | A | -2.8664 | |
| 234 | H | A | -2.0443 | |
| 235 | Y | A | -0.9132 | |
| 236 | D | A | -2.2443 | |
| 237 | E | A | -2.4581 | |
| 238 | A | A | -1.8402 | |
| 239 | T | A | -1.7683 | |
| 240 | E | A | -2.6760 | |
| 241 | D | A | -2.6188 | |
| 242 | S | A | -1.4980 | |
| 243 | C | A | -0.9528 | |
| 244 | S | A | -1.2940 | |
| 245 | R | A | -2.4049 | |
| 246 | K | A | -2.3473 | |
| 247 | L | A | -0.3670 | |
| 248 | E | A | -1.4167 | |
| 249 | A | A | -0.6103 | |
| 250 | A | A | 0.4053 | |
| 251 | V | A | 1.3147 | |
| 252 | S | A | -0.3188 | |
| 253 | K | A | -1.5662 | |
| 254 | W | A | -0.7737 | |
| 255 | D | A | -2.6378 | |
| 256 | E | A | -3.0376 | |
| 257 | T | A | -2.2031 | |
| 258 | D | A | -1.9049 | |
| 259 | A | A | -0.1478 | |
| 260 | I | A | 2.4889 | |
| 261 | V | A | 3.3520 | |
| 262 | V | A | 2.9248 | |
| 263 | S | A | 0.8335 | |
| 264 | G | A | -0.4179 | |
| 265 | A | A | -0.6056 | |
| 266 | K | A | -1.4947 | |
| 267 | L | A | -0.7421 | |
| 268 | T | A | -0.7597 | |
| 269 | G | A | -0.6523 | |
| 270 | S | A | -0.6630 | |
| 271 | E | A | -1.2023 | |
| 272 | V | A | 0.2830 | |
| 273 | L | A | 0.0000 | |
| 274 | D | A | -2.5220 | |
| 275 | K | A | -3.2689 | |
| 276 | D | A | -3.1233 | |
| 277 | A | A | -1.5394 | |
| 278 | V | A | 0.0000 | |
| 279 | K | A | -2.4151 | |
| 280 | K | A | -1.9494 | |
| 281 | M | A | -0.9999 | |
| 282 | F | A | 0.0000 | |
| 283 | A | A | -0.0426 | |
| 284 | V | A | 1.0261 | |
| 285 | G | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | A | A | 0.3917 | |
| 288 | S | A | 0.1749 | |
| 289 | L | A | 0.0130 | |
| 290 | G | A | -0.5599 | |
| 291 | H | A | -1.0965 | |
| 292 | V | A | -0.1167 | |
| 293 | P | A | -0.2690 | |
| 294 | V | A | -0.2755 | |
| 295 | L | A | 0.1010 | |
| 296 | D | A | -0.7596 | |
| 297 | V | A | -1.3614 | |
| 298 | G | A | -0.5729 | |
| 299 | R | A | -0.9325 | |
| 300 | F | A | -0.1087 | |
| 301 | S | A | -0.7868 | |
| 302 | S | A | -1.1375 | |
| 303 | E | A | -2.1071 | |
| 304 | I | A | -0.5699 | |
| 305 | A | A | 0.0000 | |
| 306 | E | A | -1.9656 | |
| 307 | A | A | -0.8472 | |
| 308 | R | A | -0.7633 | |
| 309 | L | A | -0.6647 | |
| 310 | A | A | -0.5362 | |
| 311 | L | A | -0.3084 | |
| 312 | F | A | 0.0000 | |
| 313 | Q | A | -1.3962 | |
| 314 | K | A | -1.9642 | |
| 315 | Q | A | -1.1778 | |
| 316 | V | A | -1.7152 | |
| 317 | E | A | -2.5008 | |
| 318 | I | A | -1.4028 | |
| 319 | T | A | 0.0000 | |
| 320 | K | A | -3.8901 | |
| 321 | K | A | -3.3732 | |
| 322 | H | A | -3.0748 | |
| 323 | R | A | -3.1933 | |
| 324 | G | A | -3.0739 | |
| 325 | D | A | -3.4533 | |
| 326 | A | A | 0.0000 | |
| 327 | N | A | -1.2522 | |
| 328 | V | A | -0.4686 | |
| 329 | R | A | -0.4074 | |
| 330 | Y | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | W | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | P | A | -0.4851 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.0130 | |
| 337 | R | A | -2.6167 | |
| 338 | E | A | -2.4487 | |
| 339 | V | A | -1.1074 | |
| 340 | L | A | -0.6593 | |
| 341 | S | A | -0.6113 | |
| 342 | A | A | -0.3615 | |
| 343 | V | A | 0.0000 | |
| 344 | M | A | 0.0000 | |
| 345 | M | A | 0.3025 | |
| 346 | Q | A | -0.7961 | |
| 347 | G | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | G | A | -0.2120 | |
| 350 | V | A | 0.0977 | |
| 351 | G | A | -0.2315 | |
| 352 | G | A | -0.4308 | |
| 353 | A | A | -0.3010 | |
| 354 | F | A | 0.0000 | |
| 355 | I | A | -0.8548 | |
| 356 | R | A | -2.4174 | |
| 357 | K | A | -2.0442 | |
| 358 | S | A | -0.8694 | |
| 359 | I | A | 0.4143 | |
| 360 | Y | A | -0.3049 | |
| 361 | G | A | 0.0000 | |
| 362 | V | A | -0.0283 | |
| 363 | G | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | H | A | -0.7550 | |
| 366 | L | A | 0.0000 | |
| 367 | T | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | A | A | -1.0137 | |
| 370 | D | A | -1.3670 | |
| 371 | C | A | 0.0000 | |
| 372 | P | A | 0.0000 | |
| 373 | Y | A | 0.6111 | |
| 374 | F | A | 0.8116 | |
| 375 | S | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | R | A | -1.1481 | |
| 378 | Y | A | 0.1619 | |
| 379 | C | A | 0.0000 | |
| 380 | D | A | -1.7858 | |
| 381 | V | A | -1.0846 | |
| 382 | D | A | -2.1514 | |
| 383 | E | A | -2.5094 | |
| 384 | N | A | -2.2291 | |
| 385 | G | A | -1.4831 | |
| 386 | V | A | 0.0000 | |
| 387 | R | A | -1.4135 | |
| 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 | -0.2584 | |
| 394 | V | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | M | A | 0.0000 | |
| 397 | G | A | 0.0000 | |
| 398 | N | A | -1.9088 | |
| 399 | M | A | -0.1688 | |
| 400 | E | A | 0.0000 | |
| 401 | L | A | 0.4730 | |
| 402 | L | A | 0.0000 | |
| 403 | R | A | -2.0081 | |
| 404 | G | A | -1.1648 | |
| 405 | D | A | -1.7647 | |
| 406 | K | A | -1.5574 | |
| 407 | A | A | -0.3436 | |
| 408 | Q | A | 0.3046 | |
| 409 | F | A | 2.3526 | |
| 410 | F | A | 2.7015 | |
| 411 | S | A | 0.4945 | |
| 412 | G | A | -0.3354 | |
| 413 | G | A | -1.4465 | |
| 414 | E | A | -2.7904 | |
| 415 | E | A | -2.9301 | |
| 416 | Y | A | -1.2723 | |
| 417 | D | A | -0.9094 | |
| 418 | N | A | 0.0000 | |
| 419 | G | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | D | A | -0.7049 | |
| 422 | D | A | -1.2600 | |
| 423 | I | A | -0.3512 | |
| 424 | E | A | -1.8641 | |
| 425 | S | A | -1.5031 | |
| 426 | P | A | -1.1946 | |
| 427 | K | A | -1.1289 | |
| 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 | 1.1488 | |
| 434 | I | A | 2.1992 | |
| 435 | N | A | 0.7117 | |
| 436 | M | A | 0.1629 | |
| 437 | N | A | -0.5192 | |
| 438 | T | A | -0.2211 | |
| 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 | -0.8347 | |
| 448 | F | A | 0.0000 | |
| 449 | K | A | -0.9303 | |
| 450 | L | A | -0.6428 | |
| 451 | S | A | -0.7084 | |
| 452 | N | A | -1.0027 | |
| 453 | L | A | 0.3221 | |
| 454 | P | A | -0.7912 | |
| 455 | N | A | -1.9830 | |
| 456 | A | A | -1.4306 | |
| 457 | E | A | -2.5359 | |
| 458 | G | A | -1.6295 | |
| 459 | N | A | -0.6835 | |
| 460 | L | A | 1.3104 | |
| 461 | I | A | 1.6734 | |
| 462 | A | A | -0.2625 | |
| 463 | K | A | -2.4981 | |
| 464 | R | A | -3.5937 | |
| 465 | D | A | -3.8238 | |
| 466 | N | A | -3.0099 | |
| 467 | S | A | -1.3508 | |
| 468 | G | A | 0.0024 | |
| 469 | V | A | 1.8168 | |
| 470 | T | A | 1.1028 | |
| 471 | L | A | 0.9468 | |
| 472 | E | A | -1.3746 | |
| 473 | G | A | -1.5461 | |
| 474 | P | A | -2.1001 | |
| 475 | K | A | -2.5510 | |
| 476 | D | A | -2.0548 | |
| 477 | L | A | 0.1834 | |
| 478 | P | A | -0.2560 | |
| 479 | P | A | -0.3275 | |
| 480 | Q | A | -0.9579 | |
| 481 | L | A | -0.1011 | |
| 482 | E | A | -1.7070 | |
| 483 | S | A | -1.6335 | |
| 484 | N | A | -2.4285 | |
| 485 | Q | A | -2.0721 | |
| 486 | G | A | -1.6816 | |
| 487 | A | A | -1.4690 | |
| 488 | R | A | -2.2003 | |
| 489 | G | A | -1.5630 | |
| 490 | S | A | -1.1372 | |
| 491 | G | A | -0.7634 | |
| 492 | S | A | -0.7263 | |
| 493 | A | A | -0.8359 | |
| 494 | N | A | -1.0025 | |
| 495 | S | A | -0.0618 | |
| 496 | V | A | 1.0862 | |
| 497 | G | A | 0.1765 | |
| 498 | S | A | -0.1928 | |
| 499 | S | A | -0.5595 | |
| 500 | T | A | -0.8556 | |
| 501 | T | A | -1.4272 | |
| 502 | R | A | -2.5144 | |
| 503 | P | A | -1.8860 | |
| 504 | K | A | -2.2703 | |
| 505 | S | A | -1.1558 | |
| 506 | P | A | -0.2147 | |
| 507 | W | A | 0.7863 | |
| 508 | M | A | 0.6971 | |
| 509 | P | A | 0.1315 | |
| 510 | F | A | 0.1769 | |
| 511 | P | A | -0.2746 | |
| 512 | T | A | 0.0481 | |
| 513 | L | A | 0.0000 | |
| 514 | F | A | 0.0000 | |
| 515 | A | A | -0.3799 | |
| 516 | A | A | -0.3345 | |
| 517 | I | A | 0.0000 | |
| 518 | S | A | -1.2872 | |
| 519 | H | A | -2.0478 | |
| 520 | K | A | -2.2524 | |
| 521 | V | A | -1.5893 | |
| 522 | A | A | -1.5468 | |
| 523 | E | A | -2.3653 | |
| 524 | N | A | -1.6658 | |
| 525 | D | A | -0.9029 | |
| 526 | M | A | 0.0000 | |
| 527 | L | A | 0.5890 | |
| 528 | L | A | 0.4989 | |
| 529 | I | A | 0.0000 | |
| 530 | N | A | -0.6319 | |
| 531 | A | A | -0.4094 | |
| 532 | D | A | 0.0000 | |
| 533 | Y | A | -1.8045 | |
| 534 | Q | A | -2.9758 | |
| 535 | Q | A | -3.4234 | |
| 536 | L | A | -3.4066 | |
| 537 | R | A | -3.9238 | |
| 538 | D | A | -3.7299 | |
| 539 | K | A | -4.1068 | |
| 540 | K | A | -3.7198 | |
| 541 | M | A | 0.0000 | |
| 542 | T | A | -2.5778 | |
| 543 | R | A | -3.0259 | |
| 544 | A | A | -1.8126 | |
| 545 | E | A | -2.5797 | |
| 546 | F | A | 0.0000 | |
| 547 | V | A | -1.4324 | |
| 548 | R | A | -2.6380 | |
| 549 | K | A | -1.7211 | |
| 550 | L | A | 0.0000 | |
| 551 | R | A | -1.6792 | |
| 552 | V | A | 0.4342 | |
| 553 | I | A | 0.2555 | |
| 554 | V | A | 0.0000 | |
| 555 | G | A | -1.1901 | |
| 556 | D | A | -2.3010 | |
| 557 | D | A | -2.9049 | |
| 558 | L | A | -1.7746 | |
| 559 | L | A | 0.0000 | |
| 560 | R | A | -2.5444 | |
| 561 | S | A | -1.4481 | |
| 562 | T | A | 0.0000 | |
| 563 | I | A | -0.3636 | |
| 564 | T | A | -0.9199 | |
| 565 | T | A | -0.9298 | |
| 566 | L | A | -0.5416 | |
| 567 | Q | A | -1.3377 | |
| 568 | N | A | -2.2988 | |
| 569 | Q | A | -2.5090 | |
| 570 | P | A | -2.3536 | |
| 571 | K | A | -3.0690 | |
| 572 | S | A | -2.2837 | |
| 573 | K | A | -2.6906 | |
| 574 | E | A | -2.0584 | |
| 575 | I | A | 0.4062 | |
| 576 | P | A | -0.2249 | |
| 577 | G | A | -0.1607 | |
| 578 | S | A | 0.2941 | |
| 579 | I | A | 0.4828 | |
| 580 | R | A | -2.0776 | |
| 581 | D | A | -3.1012 | |
| 582 | H | A | -3.6096 | |
| 583 | E | A | -3.7664 | |
| 584 | E | A | -3.3151 | |
| 585 | G | A | -2.1565 | |
| 586 | A | A | -0.7789 | |
| 587 | G | A | -0.6065 | |
| 588 | G | A | 0.2216 | |
| 589 | L | A | 1.1793 |
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 | -0.7921 | 5.9801 | View | CSV | PDB |
| 4.5 | -0.888 | 5.9742 | View | CSV | PDB |
| 5.0 | -1.0061 | 5.9678 | View | CSV | PDB |
| 5.5 | -1.1248 | 5.9612 | View | CSV | PDB |
| 6.0 | -1.2204 | 5.9545 | View | CSV | PDB |
| 6.5 | -1.2749 | 5.9478 | View | CSV | PDB |
| 7.0 | -1.2864 | 5.9412 | View | CSV | PDB |
| 7.5 | -1.268 | 5.9347 | View | CSV | PDB |
| 8.0 | -1.2324 | 5.9286 | View | CSV | PDB |
| 8.5 | -1.1838 | 5.9234 | View | CSV | PDB |
| 9.0 | -1.1216 | 5.9199 | 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