| Chain sequence(s) |
A: GSNSQQNPDLAVHPLAIPMEGLLGESATTLEKNVIATQLSEEAQVKLEVIQSLLEPCDRTTYGQKLREAAEKLNVSLRTVQRLVKNWEQDGLVGLTQTSRADKGKHRIGEFWENFITKTYKEGNKGSKRMTPKQVALRVEAKARELKDSKPPNYKTVLRVLAPILEKQQKAKSIRSPGWRGTTLSVKTREGKDLSVDYSNHVWQCDHTRVDVLLVDQHGEILSRPWLTTVIDTYSRCIMGINLGFDAPSSGVVALALRHAILPKRYGSEYKLHCEWGTYGKPEHFYTDGGKDFRSNHLSQIGAQLGFVCHLRDRPSEGGVVERPFKTLNDQLFSTLPGYTGSNVQERPEDAEKDARLTLRELEQLLVRYIVDRYNQSIDARMGDQTRFERWEAGLPTVPVPIPERDLDICLMKQSRRTVQRGGCLQFQNLMYRGEYLAGYAGETVNLRFDPRDITTILVYRQENNQEVFLTRAHAQGLETEQLALDEAEAASRRLRTAGKTISNQSLLQEVVDRDALVATKKSRKERQKLEQTVLRSAAVDESNRESLPSQIVEPDEVESTETVHSQYEDIEVWDYEQLREEYGF
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 (00:10:06)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e427154d8700cbc/tmp/folded.pdb (00:10:06)
[INFO] Main: Simulation completed successfully. (00:12:28)
|
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 | G | A | -0.8177 | |
| 2 | S | A | -1.1048 | |
| 3 | N | A | -1.8361 | |
| 4 | S | A | -1.7711 | |
| 5 | Q | A | -2.4831 | |
| 6 | Q | A | -2.5174 | |
| 7 | N | A | -2.6430 | |
| 8 | P | A | -1.7739 | |
| 9 | D | A | -1.4350 | |
| 10 | L | A | 1.0059 | |
| 11 | A | A | 0.9833 | |
| 12 | V | A | 1.7694 | |
| 13 | H | A | 0.1945 | |
| 14 | P | A | 0.5623 | |
| 15 | L | A | 1.8998 | |
| 16 | A | A | 1.6366 | |
| 17 | I | A | 2.3756 | |
| 18 | P | A | 0.8523 | |
| 19 | M | A | 0.6327 | |
| 20 | E | A | -0.9085 | |
| 21 | G | A | -0.0197 | |
| 22 | L | A | 1.4956 | |
| 23 | L | A | 1.3190 | |
| 24 | G | A | -0.2191 | |
| 25 | E | A | -1.5651 | |
| 26 | S | A | -1.0290 | |
| 27 | A | A | -0.5207 | |
| 28 | T | A | -0.1331 | |
| 29 | T | A | -0.0337 | |
| 30 | L | A | 0.4649 | |
| 31 | E | A | -1.3197 | |
| 32 | K | A | -1.6933 | |
| 33 | N | A | -1.0021 | |
| 34 | V | A | -0.6634 | |
| 35 | I | A | 0.0000 | |
| 36 | A | A | -0.8621 | |
| 37 | T | A | -1.4093 | |
| 38 | Q | A | -1.9168 | |
| 39 | L | A | -1.3241 | |
| 40 | S | A | -1.7699 | |
| 41 | E | A | -2.9424 | |
| 42 | E | A | -2.9567 | |
| 43 | A | A | 0.0000 | |
| 44 | Q | A | -2.0953 | |
| 45 | V | A | -1.6665 | |
| 46 | K | A | -1.6522 | |
| 47 | L | A | 0.0000 | |
| 48 | E | A | -1.6035 | |
| 49 | V | A | 0.0000 | |
| 50 | I | A | 0.0000 | |
| 51 | Q | A | 0.0000 | |
| 52 | S | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | L | A | 0.2241 | |
| 55 | E | A | 0.0000 | |
| 56 | P | A | -0.5298 | |
| 57 | C | A | -1.3405 | |
| 58 | D | A | -2.6440 | |
| 59 | R | A | -2.7293 | |
| 60 | T | A | -1.7611 | |
| 61 | T | A | -1.4769 | |
| 62 | Y | A | -1.3648 | |
| 63 | G | A | -1.7548 | |
| 64 | Q | A | -2.3478 | |
| 65 | K | A | -1.7918 | |
| 66 | L | A | 0.0000 | |
| 67 | R | A | -3.5494 | |
| 68 | E | A | -3.7512 | |
| 69 | A | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | E | A | -4.2874 | |
| 72 | K | A | -3.6304 | |
| 73 | L | A | -2.3057 | |
| 74 | N | A | -3.2989 | |
| 75 | V | A | 0.0000 | |
| 76 | S | A | -2.6449 | |
| 77 | L | A | -2.1333 | |
| 78 | R | A | -2.6331 | |
| 79 | T | A | -2.2165 | |
| 80 | V | A | 0.0000 | |
| 81 | Q | A | -2.3003 | |
| 82 | R | A | -3.2139 | |
| 83 | L | A | 0.0000 | |
| 84 | V | A | 0.0000 | |
| 85 | K | A | -3.6569 | |
| 86 | N | A | -2.6678 | |
| 87 | W | A | -2.2549 | |
| 88 | E | A | -3.5903 | |
| 89 | Q | A | -3.1747 | |
| 90 | D | A | -2.5816 | |
| 91 | G | A | -1.3803 | |
| 92 | L | A | 0.3528 | |
| 93 | V | A | 1.0725 | |
| 94 | G | A | -0.9449 | |
| 95 | L | A | 0.0000 | |
| 96 | T | A | -0.4384 | |
| 97 | Q | A | -1.4137 | |
| 98 | T | A | -1.2701 | |
| 99 | S | A | -1.4201 | |
| 100 | R | A | -2.8456 | |
| 101 | A | A | -2.0094 | |
| 102 | D | A | -3.3147 | |
| 103 | K | A | -3.7192 | |
| 104 | G | A | -2.6189 | |
| 105 | K | A | -3.0921 | |
| 106 | H | A | -2.7779 | |
| 107 | R | A | -2.7177 | |
| 108 | I | A | -1.7155 | |
| 109 | G | A | -1.3796 | |
| 110 | E | A | -1.9315 | |
| 111 | F | A | 0.2289 | |
| 112 | W | A | 0.0000 | |
| 113 | E | A | -1.9925 | |
| 114 | N | A | -1.6779 | |
| 115 | F | A | -1.1927 | |
| 116 | I | A | 0.0000 | |
| 117 | T | A | -1.8472 | |
| 118 | K | A | -2.9536 | |
| 119 | T | A | 0.0000 | |
| 120 | Y | A | 0.0000 | |
| 121 | K | A | -3.4898 | |
| 122 | E | A | -4.0870 | |
| 123 | G | A | -3.3429 | |
| 124 | N | A | -3.7375 | |
| 125 | K | A | -3.8704 | |
| 126 | G | A | -2.5084 | |
| 127 | S | A | -2.1610 | |
| 128 | K | A | -3.7851 | |
| 129 | R | A | -3.5690 | |
| 130 | M | A | -2.3408 | |
| 131 | T | A | -1.0448 | |
| 132 | P | A | -0.9641 | |
| 133 | K | A | -1.4453 | |
| 134 | Q | A | -1.4578 | |
| 135 | V | A | 0.0000 | |
| 136 | A | A | 0.0000 | |
| 137 | L | A | -0.5275 | |
| 138 | R | A | -1.8076 | |
| 139 | V | A | 0.0000 | |
| 140 | E | A | -2.1267 | |
| 141 | A | A | -2.0222 | |
| 142 | K | A | -2.3007 | |
| 143 | A | A | 0.0000 | |
| 144 | R | A | -3.8029 | |
| 145 | E | A | -3.2007 | |
| 146 | L | A | -1.7832 | |
| 147 | K | A | -3.1841 | |
| 148 | D | A | -2.8832 | |
| 149 | S | A | -1.9936 | |
| 150 | K | A | -2.4810 | |
| 151 | P | A | -2.0668 | |
| 152 | P | A | -1.5773 | |
| 153 | N | A | -1.9557 | |
| 154 | Y | A | -1.2336 | |
| 155 | K | A | -2.2536 | |
| 156 | T | A | -1.9252 | |
| 157 | V | A | 0.0000 | |
| 158 | L | A | -1.2050 | |
| 159 | R | A | -2.1330 | |
| 160 | V | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | A | A | -1.2338 | |
| 163 | P | A | -1.4903 | |
| 164 | I | A | -1.5225 | |
| 165 | L | A | -1.7406 | |
| 166 | E | A | -3.4545 | |
| 167 | K | A | -3.5933 | |
| 168 | Q | A | -2.8874 | |
| 169 | Q | A | -3.2672 | |
| 170 | K | A | -3.0330 | |
| 171 | A | A | -2.1225 | |
| 172 | K | A | -2.7730 | |
| 173 | S | A | -1.4110 | |
| 174 | I | A | -0.1376 | |
| 175 | R | A | -1.7359 | |
| 176 | S | A | -0.8704 | |
| 177 | P | A | -0.6178 | |
| 178 | G | A | -1.2115 | |
| 179 | W | A | -1.2523 | |
| 180 | R | A | -2.3768 | |
| 181 | G | A | -1.5502 | |
| 182 | T | A | -0.7359 | |
| 183 | T | A | -0.5817 | |
| 184 | L | A | -0.2748 | |
| 185 | S | A | -0.4361 | |
| 186 | V | A | 0.0000 | |
| 187 | K | A | -1.7377 | |
| 188 | T | A | 0.0000 | |
| 189 | R | A | -3.0711 | |
| 190 | E | A | -2.9638 | |
| 191 | G | A | -2.2971 | |
| 192 | K | A | -2.1485 | |
| 193 | D | A | -1.4306 | |
| 194 | L | A | 0.0000 | |
| 195 | S | A | -0.6789 | |
| 196 | V | A | 0.0000 | |
| 197 | D | A | -1.4244 | |
| 198 | Y | A | -0.7719 | |
| 199 | S | A | 0.0000 | |
| 200 | N | A | 0.0000 | |
| 201 | H | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | W | A | 0.0000 | |
| 204 | Q | A | 0.0000 | |
| 205 | C | A | 0.0000 | |
| 206 | D | A | -0.7229 | |
| 207 | H | A | -0.6264 | |
| 208 | T | A | -0.9692 | |
| 209 | R | A | -1.2220 | |
| 210 | V | A | 0.0000 | |
| 211 | D | A | -0.8029 | |
| 212 | V | A | 0.0000 | |
| 213 | L | A | -0.6864 | |
| 214 | L | A | 0.0000 | |
| 215 | V | A | 0.0000 | |
| 216 | D | A | -1.2976 | |
| 217 | Q | A | -1.2279 | |
| 218 | H | A | -1.1599 | |
| 219 | G | A | -1.7134 | |
| 220 | E | A | -2.1892 | |
| 221 | I | A | -1.1851 | |
| 222 | L | A | -0.1554 | |
| 223 | S | A | -0.1954 | |
| 224 | R | A | -0.5197 | |
| 225 | P | A | 0.0000 | |
| 226 | W | A | -0.6433 | |
| 227 | L | A | 0.0000 | |
| 228 | T | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | D | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | Y | A | -0.1576 | |
| 235 | S | A | 0.0000 | |
| 236 | R | A | -0.4135 | |
| 237 | C | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | M | A | 0.0000 | |
| 240 | G | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | N | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | G | A | -0.7493 | |
| 245 | F | A | -0.3650 | |
| 246 | D | A | -1.4691 | |
| 247 | A | A | -0.7929 | |
| 248 | P | A | -0.8076 | |
| 249 | S | A | -0.7510 | |
| 250 | S | A | -0.9122 | |
| 251 | G | A | -0.5169 | |
| 252 | V | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | L | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | R | A | -0.6202 | |
| 259 | H | A | -0.2550 | |
| 260 | A | A | 0.0000 | |
| 261 | I | A | 0.0000 | |
| 262 | L | A | -0.4596 | |
| 263 | P | A | -0.4620 | |
| 264 | K | A | 0.0000 | |
| 265 | R | A | -2.0034 | |
| 266 | Y | A | -1.4541 | |
| 267 | G | A | -1.3505 | |
| 268 | S | A | -1.5192 | |
| 269 | E | A | -2.0399 | |
| 270 | Y | A | 0.0000 | |
| 271 | K | A | -2.3773 | |
| 272 | L | A | -1.6892 | |
| 273 | H | A | -1.8562 | |
| 274 | C | A | -1.6873 | |
| 275 | E | A | -2.1835 | |
| 276 | W | A | 0.0000 | |
| 277 | G | A | -1.2355 | |
| 278 | T | A | 0.0000 | |
| 279 | Y | A | 0.4126 | |
| 280 | G | A | 0.0000 | |
| 281 | K | A | -0.4167 | |
| 282 | P | A | 0.0000 | |
| 283 | E | A | -0.3189 | |
| 284 | H | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | Y | A | 0.0000 | |
| 287 | T | A | 0.0000 | |
| 288 | D | A | -1.8514 | |
| 289 | G | A | -1.7562 | |
| 290 | G | A | -1.7184 | |
| 291 | K | A | -2.5496 | |
| 292 | D | A | 0.0000 | |
| 293 | F | A | 0.0000 | |
| 294 | R | A | -2.8863 | |
| 295 | S | A | -2.1720 | |
| 296 | N | A | -2.0644 | |
| 297 | H | A | -1.3928 | |
| 298 | L | A | 0.0000 | |
| 299 | S | A | -1.2661 | |
| 300 | Q | A | -1.0443 | |
| 301 | I | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | Q | A | -0.8747 | |
| 305 | L | A | 0.0000 | |
| 306 | G | A | -0.4494 | |
| 307 | F | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | C | A | -0.2717 | |
| 310 | H | A | 0.0000 | |
| 311 | L | A | -1.4872 | |
| 312 | R | A | 0.0000 | |
| 313 | D | A | -2.8253 | |
| 314 | R | A | -2.7704 | |
| 315 | P | A | -1.6678 | |
| 316 | S | A | -1.4069 | |
| 317 | E | A | -1.7941 | |
| 318 | G | A | 0.0000 | |
| 319 | G | A | -1.3204 | |
| 320 | V | A | -0.9737 | |
| 321 | V | A | 0.0000 | |
| 322 | E | A | -2.6514 | |
| 323 | R | A | -3.0070 | |
| 324 | P | A | 0.0000 | |
| 325 | F | A | -2.2317 | |
| 326 | K | A | -3.2633 | |
| 327 | T | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | N | A | -2.1746 | |
| 330 | D | A | -2.9286 | |
| 331 | Q | A | -2.5500 | |
| 332 | L | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | S | A | -0.9819 | |
| 335 | T | A | -0.5727 | |
| 336 | L | A | -0.1910 | |
| 337 | P | A | -1.1149 | |
| 338 | G | A | 0.0000 | |
| 339 | Y | A | -0.6831 | |
| 340 | T | A | 0.0000 | |
| 341 | G | A | -1.1100 | |
| 342 | S | A | -1.0853 | |
| 343 | N | A | -1.0726 | |
| 344 | V | A | -0.0475 | |
| 345 | Q | A | -1.7726 | |
| 346 | E | A | -2.8831 | |
| 347 | R | A | -2.7489 | |
| 348 | P | A | -3.0464 | |
| 349 | E | A | -3.9312 | |
| 350 | D | A | -4.1997 | |
| 351 | A | A | 0.0000 | |
| 352 | E | A | -3.8314 | |
| 353 | K | A | -3.9710 | |
| 354 | D | A | -3.1033 | |
| 355 | A | A | 0.0000 | |
| 356 | R | A | -2.5549 | |
| 357 | L | A | -1.0930 | |
| 358 | T | A | -1.3386 | |
| 359 | L | A | -0.8868 | |
| 360 | R | A | -2.2795 | |
| 361 | E | A | -1.7565 | |
| 362 | L | A | 0.0000 | |
| 363 | E | A | -1.0969 | |
| 364 | Q | A | -1.4175 | |
| 365 | L | A | -0.4620 | |
| 366 | L | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | R | A | -1.5346 | |
| 369 | Y | A | -0.9570 | |
| 370 | I | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | D | A | 0.0000 | |
| 373 | R | A | -2.1633 | |
| 374 | Y | A | 0.0000 | |
| 375 | N | A | 0.0000 | |
| 376 | Q | A | -1.0698 | |
| 377 | S | A | -0.4337 | |
| 378 | I | A | -0.0290 | |
| 379 | D | A | 0.0000 | |
| 380 | A | A | -0.5997 | |
| 381 | R | A | -1.8388 | |
| 382 | M | A | -1.2345 | |
| 383 | G | A | -1.2777 | |
| 384 | D | A | -2.1654 | |
| 385 | Q | A | -1.5732 | |
| 386 | T | A | -1.2517 | |
| 387 | R | A | -1.0005 | |
| 388 | F | A | -1.3018 | |
| 389 | E | A | -2.5516 | |
| 390 | R | A | -1.7176 | |
| 391 | W | A | 0.0000 | |
| 392 | E | A | -2.1553 | |
| 393 | A | A | -1.3630 | |
| 394 | G | A | -1.0019 | |
| 395 | L | A | -0.1939 | |
| 396 | P | A | -0.1774 | |
| 397 | T | A | 0.7604 | |
| 398 | V | A | 1.9022 | |
| 399 | P | A | 1.5620 | |
| 400 | V | A | 2.0520 | |
| 401 | P | A | 0.6268 | |
| 402 | I | A | -0.2732 | |
| 403 | P | A | -1.2082 | |
| 404 | E | A | -2.4214 | |
| 405 | R | A | -2.1541 | |
| 406 | D | A | -1.6070 | |
| 407 | L | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | I | A | 0.0000 | |
| 410 | C | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | M | A | -0.7997 | |
| 413 | K | A | -1.7360 | |
| 414 | Q | A | -1.6389 | |
| 415 | S | A | -1.9096 | |
| 416 | R | A | -2.7400 | |
| 417 | R | A | -2.0549 | |
| 418 | T | A | -1.7006 | |
| 419 | V | A | 0.0000 | |
| 420 | Q | A | -2.4309 | |
| 421 | R | A | -2.5342 | |
| 422 | G | A | -1.7023 | |
| 423 | G | A | 0.0000 | |
| 424 | C | A | -1.7808 | |
| 425 | L | A | 0.0000 | |
| 426 | Q | A | -1.3975 | |
| 427 | F | A | 0.0000 | |
| 428 | Q | A | -1.1287 | |
| 429 | N | A | -1.2795 | |
| 430 | L | A | 0.0000 | |
| 431 | M | A | -0.8832 | |
| 432 | Y | A | 0.0000 | |
| 433 | R | A | -2.8127 | |
| 434 | G | A | -2.2524 | |
| 435 | E | A | -2.0809 | |
| 436 | Y | A | -0.0844 | |
| 437 | L | A | 0.0000 | |
| 438 | A | A | -0.9196 | |
| 439 | G | A | -0.5507 | |
| 440 | Y | A | -0.4904 | |
| 441 | A | A | -1.3002 | |
| 442 | G | A | -1.6842 | |
| 443 | E | A | -1.8396 | |
| 444 | T | A | -1.7954 | |
| 445 | V | A | 0.0000 | |
| 446 | N | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | R | A | 0.0000 | |
| 449 | F | A | 0.0000 | |
| 450 | D | A | -0.9694 | |
| 451 | P | A | -1.1171 | |
| 452 | R | A | -1.5190 | |
| 453 | D | A | -1.3883 | |
| 454 | I | A | 0.0000 | |
| 455 | T | A | 0.0000 | |
| 456 | T | A | -1.3950 | |
| 457 | I | A | 0.0000 | |
| 458 | L | A | -0.7948 | |
| 459 | V | A | 0.0000 | |
| 460 | Y | A | 0.0000 | |
| 461 | R | A | -1.7498 | |
| 462 | Q | A | -2.5968 | |
| 463 | E | A | -2.3324 | |
| 464 | N | A | -2.5548 | |
| 465 | N | A | -2.8206 | |
| 466 | Q | A | -2.1211 | |
| 467 | E | A | 0.0000 | |
| 468 | V | A | 0.0000 | |
| 469 | F | A | -0.6332 | |
| 470 | L | A | -0.4485 | |
| 471 | T | A | -1.0500 | |
| 472 | R | A | -2.3517 | |
| 473 | A | A | 0.0000 | |
| 474 | H | A | -2.0581 | |
| 475 | A | A | 0.0000 | |
| 476 | Q | A | -1.5877 | |
| 477 | G | A | -1.5783 | |
| 478 | L | A | 0.0000 | |
| 479 | E | A | -1.9033 | |
| 480 | T | A | -1.3969 | |
| 481 | E | A | -1.8835 | |
| 482 | Q | A | -1.9845 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | -1.2203 | |
| 485 | L | A | -1.0035 | |
| 486 | D | A | -1.5342 | |
| 487 | E | A | -1.4601 | |
| 488 | A | A | 0.0000 | |
| 489 | E | A | -2.6544 | |
| 490 | A | A | -2.0296 | |
| 491 | A | A | 0.0000 | |
| 492 | S | A | 0.0000 | |
| 493 | R | A | -3.1690 | |
| 494 | R | A | -2.4400 | |
| 495 | L | A | -2.4008 | |
| 496 | R | A | -3.1738 | |
| 497 | T | A | -2.0120 | |
| 498 | A | A | -1.6783 | |
| 499 | G | A | -2.1265 | |
| 500 | K | A | -2.4016 | |
| 501 | T | A | -1.3277 | |
| 502 | I | A | -1.2111 | |
| 503 | S | A | -0.8405 | |
| 504 | N | A | -1.0716 | |
| 505 | Q | A | -1.6009 | |
| 506 | S | A | -0.9819 | |
| 507 | L | A | 0.0000 | |
| 508 | L | A | -0.7965 | |
| 509 | Q | A | -1.1851 | |
| 510 | E | A | -0.9153 | |
| 511 | V | A | -0.5632 | |
| 512 | V | A | 0.2205 | |
| 513 | D | A | -0.7690 | |
| 514 | R | A | 0.0000 | |
| 515 | D | A | -1.1881 | |
| 516 | A | A | -0.0950 | |
| 517 | L | A | 0.6556 | |
| 518 | V | A | 0.1888 | |
| 519 | A | A | -0.1279 | |
| 520 | T | A | -0.1583 | |
| 521 | K | A | -1.4933 | |
| 522 | K | A | -2.8682 | |
| 523 | S | A | -3.6056 | |
| 524 | R | A | -4.7816 | |
| 525 | K | A | -5.0333 | |
| 526 | E | A | -5.2572 | |
| 527 | R | A | -4.8220 | |
| 528 | Q | A | -4.6978 | |
| 529 | K | A | -4.4565 | |
| 530 | L | A | -2.5034 | |
| 531 | E | A | -3.1209 | |
| 532 | Q | A | -2.6155 | |
| 533 | T | A | -1.1880 | |
| 534 | V | A | 0.2446 | |
| 535 | L | A | 0.2086 | |
| 536 | R | A | -1.5552 | |
| 537 | S | A | -0.8581 | |
| 538 | A | A | -0.9739 | |
| 539 | A | A | -1.3229 | |
| 540 | V | A | -1.6120 | |
| 541 | D | A | -3.4599 | |
| 542 | E | A | -4.1022 | |
| 543 | S | A | -3.0908 | |
| 544 | N | A | -3.5680 | |
| 545 | R | A | -4.1724 | |
| 546 | E | A | -3.5290 | |
| 547 | S | A | -1.5495 | |
| 548 | L | A | 0.3007 | |
| 549 | P | A | -0.2316 | |
| 550 | S | A | -0.2644 | |
| 551 | Q | A | 0.0579 | |
| 552 | I | A | 1.8869 | |
| 553 | V | A | 1.6027 | |
| 554 | E | A | -1.0239 | |
| 555 | P | A | -2.1075 | |
| 556 | D | A | -2.8563 | |
| 557 | E | A | -2.2649 | |
| 558 | V | A | -0.4935 | |
| 559 | E | A | -1.4048 | |
| 560 | S | A | -1.1651 | |
| 561 | T | A | -1.4779 | |
| 562 | E | A | -1.5584 | |
| 563 | T | A | -0.3139 | |
| 564 | V | A | 0.8401 | |
| 565 | H | A | -0.4348 | |
| 566 | S | A | -0.7888 | |
| 567 | Q | A | -1.6481 | |
| 568 | Y | A | -0.4257 | |
| 569 | E | A | -2.0773 | |
| 570 | D | A | -1.8190 | |
| 571 | I | A | 0.5623 | |
| 572 | E | A | -0.6901 | |
| 573 | V | A | 1.4852 | |
| 574 | W | A | 0.7648 | |
| 575 | D | A | -0.8905 | |
| 576 | Y | A | -0.3963 | |
| 577 | E | A | -2.9416 | |
| 578 | Q | A | -3.0109 | |
| 579 | L | A | -1.5708 | |
| 580 | R | A | -2.3895 | |
| 581 | E | A | -3.2924 | |
| 582 | E | A | -2.7618 | |
| 583 | Y | A | -0.2448 | |
| 584 | G | A | -0.4223 | |
| 585 | F | A | 1.2951 |
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 | -1.1457 | 4.988 | View | CSV | PDB |
| 4.5 | -1.2352 | 4.9655 | View | CSV | PDB |
| 5.0 | -1.3511 | 4.9285 | View | CSV | PDB |
| 5.5 | -1.4723 | 4.8823 | View | CSV | PDB |
| 6.0 | -1.5754 | 4.8343 | View | CSV | PDB |
| 6.5 | -1.642 | 4.7922 | View | CSV | PDB |
| 7.0 | -1.6676 | 4.7628 | View | CSV | PDB |
| 7.5 | -1.6623 | 4.7477 | View | CSV | PDB |
| 8.0 | -1.6396 | 4.7418 | View | CSV | PDB |
| 8.5 | -1.6062 | 4.7397 | View | CSV | PDB |
| 9.0 | -1.5629 | 4.739 | 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