| Chain sequence(s) |
A: MSKGPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVAMNPTNTVFDAKRLIGRRFDDAVVQSDMKHWPFMVVNDAGRPKVQVEYKGETKSFYPEEVSSMVLTKMKEIAEAYLGKTVTNAVVTVPAYFNDSQRQATKDAGTIAGLNVLRIINEPTAAAIAYGLDKKVGAERNVLIFDLGGGTFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVNHFIAEFKRKHKKDISENKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGIDFYTSITRARFEELNADLFRGTLDPVEKALRDAKLDKSQIHDIVLVGGSTRIPKIQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAILSGDKSENVQDLLLLDVTPLSLGIETAGGVMTVLIKRNTTIPTKQTQTFTTYSDNQPGVLIQVYEGERAMTKDNNLLGKFELTGIPPAPRGVPQIEVTFDIDANGILNVSAVDKSTGKENKITITNDKGRLSKEDIERMVQEAEKYKAEDEKQRDKVSSKNSLESYAFNMKATVEDEKLQGKINDEDKQKILDKCNEIISWLDKNQTAEKEEFEHQQKELEKVCNPIITKLYQSAGGMPGGMPGGFPGGGAPPSGGASSGPTIEEVD
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 globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/60455f4d2089df0/tmp/folded.pdb (00:17:07)
[INFO] Main: Simulation completed successfully. (00:24:32)
|
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 | 0.4517 | |
| 2 | S | A | -0.5572 | |
| 3 | K | A | -1.6160 | |
| 4 | G | A | -1.0781 | |
| 5 | P | A | -0.8250 | |
| 6 | A | A | -0.3184 | |
| 7 | V | A | 0.0000 | |
| 8 | G | A | 0.0000 | |
| 9 | I | A | 0.0000 | |
| 10 | D | A | -0.2309 | |
| 11 | L | A | 0.0000 | |
| 12 | G | A | -0.0802 | |
| 13 | T | A | 0.0000 | |
| 14 | T | A | 0.0931 | |
| 15 | Y | A | 0.0215 | |
| 16 | S | A | 0.0000 | |
| 17 | C | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | G | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | Q | A | -1.6546 | |
| 23 | H | A | -1.9283 | |
| 24 | G | A | -2.4301 | |
| 25 | K | A | -2.3275 | |
| 26 | V | A | -1.1767 | |
| 27 | E | A | -1.0879 | |
| 28 | I | A | -0.6113 | |
| 29 | I | A | 0.0000 | |
| 30 | A | A | -1.6005 | |
| 31 | N | A | 0.0000 | |
| 32 | D | A | -2.7560 | |
| 33 | Q | A | -2.6986 | |
| 34 | G | A | -2.2182 | |
| 35 | N | A | -2.3956 | |
| 36 | R | A | -2.4987 | |
| 37 | T | A | -1.3074 | |
| 38 | T | A | 0.0000 | |
| 39 | P | A | 0.0000 | |
| 40 | S | A | 0.0000 | |
| 41 | Y | A | 0.0220 | |
| 42 | V | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | F | A | 0.0000 | |
| 45 | T | A | -1.7460 | |
| 46 | D | A | -3.1890 | |
| 47 | T | A | -1.7206 | |
| 48 | E | A | -1.5051 | |
| 49 | R | A | 0.0000 | |
| 50 | L | A | -0.0579 | |
| 51 | I | A | 0.1859 | |
| 52 | G | A | 0.0000 | |
| 53 | D | A | -1.1193 | |
| 54 | A | A | -0.6554 | |
| 55 | A | A | 0.0000 | |
| 56 | K | A | -1.0681 | |
| 57 | N | A | -1.4593 | |
| 58 | Q | A | -0.6330 | |
| 59 | V | A | 0.0000 | |
| 60 | A | A | -0.5389 | |
| 61 | M | A | 0.2687 | |
| 62 | N | A | -0.3102 | |
| 63 | P | A | 0.0000 | |
| 64 | T | A | -0.3973 | |
| 65 | N | A | -0.3610 | |
| 66 | T | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | D | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | K | A | 0.0000 | |
| 72 | R | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | G | A | -0.6450 | |
| 76 | R | A | -1.3860 | |
| 77 | R | A | -2.8153 | |
| 78 | F | A | -2.1691 | |
| 79 | D | A | -2.6365 | |
| 80 | D | A | -1.6622 | |
| 81 | A | A | -0.6393 | |
| 82 | V | A | -0.0542 | |
| 83 | V | A | 0.0000 | |
| 84 | Q | A | -1.3001 | |
| 85 | S | A | -0.6867 | |
| 86 | D | A | 0.0000 | |
| 87 | M | A | -0.6244 | |
| 88 | K | A | -1.8668 | |
| 89 | H | A | -1.4988 | |
| 90 | W | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | F | A | 0.0000 | |
| 93 | M | A | 0.8271 | |
| 94 | V | A | 0.0000 | |
| 95 | V | A | -0.4993 | |
| 96 | N | A | -2.3107 | |
| 97 | D | A | -2.0809 | |
| 98 | A | A | -1.3974 | |
| 99 | G | A | -2.0677 | |
| 100 | R | A | 0.0000 | |
| 101 | P | A | 0.0000 | |
| 102 | K | A | -0.8299 | |
| 103 | V | A | 0.0000 | |
| 104 | Q | A | -0.4970 | |
| 105 | V | A | 0.0000 | |
| 106 | E | A | -2.8636 | |
| 107 | Y | A | 0.0000 | |
| 108 | K | A | -3.4496 | |
| 109 | G | A | -2.9085 | |
| 110 | E | A | -3.2686 | |
| 111 | T | A | -2.0631 | |
| 112 | K | A | -1.6707 | |
| 113 | S | A | -0.8054 | |
| 114 | F | A | 0.0000 | |
| 115 | Y | A | -0.1699 | |
| 116 | P | A | 0.0000 | |
| 117 | E | A | 0.0000 | |
| 118 | E | A | -0.2494 | |
| 119 | V | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | M | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | T | A | 0.0000 | |
| 126 | K | A | -0.4346 | |
| 127 | M | A | 0.0000 | |
| 128 | K | A | -0.5475 | |
| 129 | E | A | -0.9381 | |
| 130 | I | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | E | A | -0.7406 | |
| 133 | A | A | -0.3414 | |
| 134 | Y | A | 0.4453 | |
| 135 | L | A | -0.1186 | |
| 136 | G | A | -0.7419 | |
| 137 | K | A | -1.3924 | |
| 138 | T | A | -0.9473 | |
| 139 | V | A | 0.0000 | |
| 140 | T | A | -0.9442 | |
| 141 | N | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | T | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | Y | A | -0.0454 | |
| 150 | F | A | 0.0000 | |
| 151 | N | A | -0.2533 | |
| 152 | D | A | 0.0000 | |
| 153 | S | A | -0.3664 | |
| 154 | Q | A | 0.0000 | |
| 155 | R | A | 0.0000 | |
| 156 | Q | A | -0.4149 | |
| 157 | A | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | K | A | -0.6424 | |
| 160 | D | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | T | A | -0.6891 | |
| 164 | I | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | G | A | -0.9307 | |
| 167 | L | A | 0.0000 | |
| 168 | N | A | -1.2579 | |
| 169 | V | A | -0.5138 | |
| 170 | L | A | -0.0400 | |
| 171 | R | A | -0.3194 | |
| 172 | I | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | N | A | 0.0000 | |
| 175 | E | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | A | A | -0.3167 | |
| 183 | Y | A | 0.0000 | |
| 184 | G | A | 0.0000 | |
| 185 | L | A | -1.4345 | |
| 186 | D | A | -2.4953 | |
| 187 | K | A | -2.4336 | |
| 188 | K | A | -2.8601 | |
| 189 | V | A | -2.2610 | |
| 190 | G | A | -1.9432 | |
| 191 | A | A | -1.8227 | |
| 192 | E | A | -2.6120 | |
| 193 | R | A | -2.0426 | |
| 194 | N | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | D | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | G | A | -0.2827 | |
| 202 | G | A | -0.2360 | |
| 203 | G | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | F | A | 0.0000 | |
| 206 | D | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | T | A | -1.1080 | |
| 212 | I | A | 0.0000 | |
| 213 | E | A | -2.5795 | |
| 214 | D | A | -3.0114 | |
| 215 | G | A | -1.7843 | |
| 216 | I | A | -0.5460 | |
| 217 | F | A | 0.0000 | |
| 218 | E | A | -0.6437 | |
| 219 | V | A | 0.0000 | |
| 220 | K | A | -1.2064 | |
| 221 | S | A | 0.0000 | |
| 222 | T | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | G | A | -0.8247 | |
| 225 | D | A | -1.3071 | |
| 226 | T | A | -0.5075 | |
| 227 | H | A | -0.4397 | |
| 228 | L | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | E | A | -0.6076 | |
| 232 | D | A | -0.6056 | |
| 233 | F | A | 0.0000 | |
| 234 | D | A | 0.0000 | |
| 235 | N | A | -1.0596 | |
| 236 | R | A | -1.1215 | |
| 237 | M | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | N | A | -1.4883 | |
| 240 | H | A | -0.8670 | |
| 241 | F | A | 0.0000 | |
| 242 | I | A | -1.3031 | |
| 243 | A | A | -1.8899 | |
| 244 | E | A | -2.2274 | |
| 245 | F | A | 0.0000 | |
| 246 | K | A | -3.7058 | |
| 247 | R | A | -3.9918 | |
| 248 | K | A | -3.5873 | |
| 249 | H | A | -3.0670 | |
| 250 | K | A | -3.7591 | |
| 251 | K | A | -3.1591 | |
| 252 | D | A | -2.6445 | |
| 253 | I | A | 0.0000 | |
| 254 | S | A | -2.0868 | |
| 255 | E | A | -2.7226 | |
| 256 | N | A | -2.3411 | |
| 257 | K | A | -2.4317 | |
| 258 | R | A | -1.9003 | |
| 259 | A | A | 0.0000 | |
| 260 | V | A | -1.2320 | |
| 261 | R | A | 0.0000 | |
| 262 | R | A | -0.8159 | |
| 263 | L | A | 0.0000 | |
| 264 | R | A | 0.0000 | |
| 265 | T | A | -0.7274 | |
| 266 | A | A | -1.3357 | |
| 267 | C | A | 0.0000 | |
| 268 | E | A | -1.6618 | |
| 269 | R | A | -2.5649 | |
| 270 | A | A | 0.0000 | |
| 271 | K | A | -1.7751 | |
| 272 | R | A | -2.4748 | |
| 273 | T | A | -1.6673 | |
| 274 | L | A | 0.0000 | |
| 275 | S | A | -1.2093 | |
| 276 | S | A | -1.1348 | |
| 277 | S | A | -1.0739 | |
| 278 | T | A | -0.9003 | |
| 279 | Q | A | -1.4709 | |
| 280 | A | A | 0.0000 | |
| 281 | S | A | -0.9398 | |
| 282 | I | A | 0.0000 | |
| 283 | E | A | -1.9557 | |
| 284 | I | A | 0.0000 | |
| 285 | D | A | -2.4540 | |
| 286 | S | A | -1.9877 | |
| 287 | L | A | 0.0000 | |
| 288 | Y | A | -1.6874 | |
| 289 | E | A | -2.1000 | |
| 290 | G | A | -1.7022 | |
| 291 | I | A | -1.1946 | |
| 292 | D | A | -1.8612 | |
| 293 | F | A | 0.0000 | |
| 294 | Y | A | 0.0437 | |
| 295 | T | A | -0.0443 | |
| 296 | S | A | -0.4487 | |
| 297 | I | A | 0.0000 | |
| 298 | T | A | -1.3619 | |
| 299 | R | A | -1.4599 | |
| 300 | A | A | -1.4302 | |
| 301 | R | A | -2.0705 | |
| 302 | F | A | 0.0000 | |
| 303 | E | A | -1.7670 | |
| 304 | E | A | -2.4694 | |
| 305 | L | A | -1.4520 | |
| 306 | N | A | 0.0000 | |
| 307 | A | A | -2.0996 | |
| 308 | D | A | -2.5759 | |
| 309 | L | A | -1.4334 | |
| 310 | F | A | 0.0000 | |
| 311 | R | A | -2.7217 | |
| 312 | G | A | -2.1250 | |
| 313 | T | A | 0.0000 | |
| 314 | L | A | -1.4263 | |
| 315 | D | A | -2.6027 | |
| 316 | P | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | E | A | -2.4022 | |
| 319 | K | A | -2.1706 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | R | A | -3.3189 | |
| 323 | D | A | -2.1788 | |
| 324 | A | A | 0.0000 | |
| 325 | K | A | -2.9967 | |
| 326 | L | A | -2.5959 | |
| 327 | D | A | -3.1267 | |
| 328 | K | A | -2.4123 | |
| 329 | S | A | -1.7588 | |
| 330 | Q | A | -1.9948 | |
| 331 | I | A | 0.0000 | |
| 332 | H | A | -1.5109 | |
| 333 | D | A | -1.0098 | |
| 334 | I | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | G | A | -0.7155 | |
| 339 | G | A | -0.9768 | |
| 340 | S | A | 0.0000 | |
| 341 | T | A | 0.0000 | |
| 342 | R | A | -1.3591 | |
| 343 | I | A | 0.0000 | |
| 344 | P | A | -1.1392 | |
| 345 | K | A | -1.5744 | |
| 346 | I | A | 0.0000 | |
| 347 | Q | A | -1.8191 | |
| 348 | K | A | -2.5284 | |
| 349 | L | A | -1.9495 | |
| 350 | L | A | 0.0000 | |
| 351 | Q | A | -2.8730 | |
| 352 | D | A | -3.1613 | |
| 353 | F | A | -1.6795 | |
| 354 | F | A | 0.0000 | |
| 355 | N | A | -2.6065 | |
| 356 | G | A | -2.6446 | |
| 357 | K | A | -2.4630 | |
| 358 | E | A | -2.9042 | |
| 359 | L | A | 0.0000 | |
| 360 | N | A | -1.6191 | |
| 361 | K | A | -2.2052 | |
| 362 | S | A | -1.1405 | |
| 363 | I | A | -0.9008 | |
| 364 | N | A | -1.3554 | |
| 365 | P | A | -1.2583 | |
| 366 | D | A | -1.2579 | |
| 367 | E | A | -1.0681 | |
| 368 | A | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | Y | A | -0.2006 | |
| 372 | G | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | Q | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | I | A | -0.2649 | |
| 380 | L | A | 0.4907 | |
| 381 | S | A | -0.4686 | |
| 382 | G | A | -1.0974 | |
| 383 | D | A | -2.0527 | |
| 384 | K | A | -3.1218 | |
| 385 | S | A | -3.0558 | |
| 386 | E | A | -3.3194 | |
| 387 | N | A | -2.9538 | |
| 388 | V | A | 0.0000 | |
| 389 | Q | A | -3.1559 | |
| 390 | D | A | -2.8699 | |
| 391 | L | A | -0.9612 | |
| 392 | L | A | 0.2439 | |
| 393 | L | A | 0.5380 | |
| 394 | L | A | 0.2280 | |
| 395 | D | A | -0.3014 | |
| 396 | V | A | 0.0000 | |
| 397 | T | A | 0.0000 | |
| 398 | P | A | 0.0000 | |
| 399 | L | A | -0.6280 | |
| 400 | S | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | E | A | -0.3436 | |
| 405 | T | A | 0.2444 | |
| 406 | A | A | 0.1217 | |
| 407 | G | A | -0.2525 | |
| 408 | G | A | -0.4706 | |
| 409 | V | A | 0.2314 | |
| 410 | M | A | 0.0000 | |
| 411 | T | A | 0.4550 | |
| 412 | V | A | 0.0126 | |
| 413 | L | A | -0.4272 | |
| 414 | I | A | 0.0000 | |
| 415 | K | A | -1.8819 | |
| 416 | R | A | -1.4261 | |
| 417 | N | A | -1.0600 | |
| 418 | T | A | -0.8593 | |
| 419 | T | A | -0.5985 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -0.8714 | |
| 422 | T | A | -1.3039 | |
| 423 | K | A | -2.2366 | |
| 424 | Q | A | -1.5123 | |
| 425 | T | A | -1.1782 | |
| 426 | Q | A | -1.0292 | |
| 427 | T | A | -0.8827 | |
| 428 | F | A | -0.0587 | |
| 429 | T | A | -0.0919 | |
| 430 | T | A | 0.0000 | |
| 431 | Y | A | 0.0979 | |
| 432 | S | A | -1.4126 | |
| 433 | D | A | -2.4061 | |
| 434 | N | A | -2.3001 | |
| 435 | Q | A | -1.6305 | |
| 436 | P | A | -1.0719 | |
| 437 | G | A | -0.8980 | |
| 438 | V | A | 0.0000 | |
| 439 | L | A | -0.6226 | |
| 440 | I | A | 0.0000 | |
| 441 | Q | A | -0.8980 | |
| 442 | V | A | 0.0000 | |
| 443 | Y | A | 0.0000 | |
| 444 | E | A | 0.0000 | |
| 445 | G | A | -1.5278 | |
| 446 | E | A | -2.3081 | |
| 447 | R | A | -2.9081 | |
| 448 | A | A | -1.1712 | |
| 449 | M | A | -1.2539 | |
| 450 | T | A | 0.0000 | |
| 451 | K | A | -2.6856 | |
| 452 | D | A | -3.2516 | |
| 453 | N | A | -2.2719 | |
| 454 | N | A | -1.3451 | |
| 455 | L | A | -0.3570 | |
| 456 | L | A | 0.0000 | |
| 457 | G | A | 0.0000 | |
| 458 | K | A | -2.1288 | |
| 459 | F | A | 0.0000 | |
| 460 | E | A | -2.2574 | |
| 461 | L | A | 0.0000 | |
| 462 | T | A | -1.2476 | |
| 463 | G | A | -1.0501 | |
| 464 | I | A | 0.0000 | |
| 465 | P | A | -0.7278 | |
| 466 | P | A | -1.3110 | |
| 467 | A | A | -1.1743 | |
| 468 | P | A | -1.5408 | |
| 469 | R | A | -2.1476 | |
| 470 | G | A | -0.5490 | |
| 471 | V | A | 0.5068 | |
| 472 | P | A | 0.0000 | |
| 473 | Q | A | -0.9621 | |
| 474 | I | A | 0.0000 | |
| 475 | E | A | -1.3550 | |
| 476 | V | A | 0.0000 | |
| 477 | T | A | -1.1426 | |
| 478 | F | A | 0.0000 | |
| 479 | D | A | -1.5280 | |
| 480 | I | A | 0.0000 | |
| 481 | D | A | -0.9702 | |
| 482 | A | A | -0.4502 | |
| 483 | N | A | -0.4831 | |
| 484 | G | A | -0.4657 | |
| 485 | I | A | -0.2773 | |
| 486 | L | A | 0.0000 | |
| 487 | N | A | -0.8941 | |
| 488 | V | A | 0.0000 | |
| 489 | S | A | -1.3758 | |
| 490 | A | A | 0.0000 | |
| 491 | V | A | -2.0819 | |
| 492 | D | A | 0.0000 | |
| 493 | K | A | -2.6449 | |
| 494 | S | A | -1.3007 | |
| 495 | T | A | -1.5900 | |
| 496 | G | A | -2.1220 | |
| 497 | K | A | -2.8771 | |
| 498 | E | A | -3.3312 | |
| 499 | N | A | -2.7464 | |
| 500 | K | A | -2.6027 | |
| 501 | I | A | -1.4235 | |
| 502 | T | A | -0.4996 | |
| 503 | I | A | 0.0000 | |
| 504 | T | A | -1.2045 | |
| 505 | N | A | -1.9634 | |
| 506 | D | A | -3.2342 | |
| 507 | K | A | -3.0358 | |
| 508 | G | A | -2.3026 | |
| 509 | R | A | -1.8097 | |
| 510 | L | A | 0.0000 | |
| 511 | S | A | -3.0266 | |
| 512 | K | A | -3.8452 | |
| 513 | E | A | -4.1480 | |
| 514 | D | A | -3.5820 | |
| 515 | I | A | 0.0000 | |
| 516 | E | A | -4.4045 | |
| 517 | R | A | -4.5438 | |
| 518 | M | A | 0.0000 | |
| 519 | V | A | -2.9034 | |
| 520 | Q | A | -3.9555 | |
| 521 | E | A | -3.7123 | |
| 522 | A | A | -2.9452 | |
| 523 | E | A | -3.8455 | |
| 524 | K | A | -3.6673 | |
| 525 | Y | A | 0.0000 | |
| 526 | K | A | -2.9693 | |
| 527 | A | A | -2.8481 | |
| 528 | E | A | -2.8776 | |
| 529 | D | A | -3.0994 | |
| 530 | E | A | -3.6201 | |
| 531 | K | A | -3.8081 | |
| 532 | Q | A | -2.9857 | |
| 533 | R | A | -3.1046 | |
| 534 | D | A | -3.1061 | |
| 535 | K | A | -2.9676 | |
| 536 | V | A | -1.2127 | |
| 537 | S | A | -1.3994 | |
| 538 | S | A | 0.0000 | |
| 539 | K | A | -2.2770 | |
| 540 | N | A | -1.6710 | |
| 541 | S | A | -1.1173 | |
| 542 | L | A | 0.0000 | |
| 543 | E | A | -1.4577 | |
| 544 | S | A | -0.7913 | |
| 545 | Y | A | -0.5464 | |
| 546 | A | A | 0.0000 | |
| 547 | F | A | 0.3570 | |
| 548 | N | A | -0.9836 | |
| 549 | M | A | -0.7107 | |
| 550 | K | A | -1.2392 | |
| 551 | A | A | -1.2031 | |
| 552 | T | A | -1.5542 | |
| 553 | V | A | 0.0000 | |
| 554 | E | A | -3.3214 | |
| 555 | D | A | -3.2740 | |
| 556 | E | A | -4.0655 | |
| 557 | K | A | -3.7512 | |
| 558 | L | A | 0.0000 | |
| 559 | Q | A | -3.9453 | |
| 560 | G | A | -2.8309 | |
| 561 | K | A | -3.0470 | |
| 562 | I | A | -2.8804 | |
| 563 | N | A | -3.6621 | |
| 564 | D | A | -4.4096 | |
| 565 | E | A | -4.0833 | |
| 566 | D | A | -3.2527 | |
| 567 | K | A | -3.9575 | |
| 568 | Q | A | -3.8227 | |
| 569 | K | A | -3.4047 | |
| 570 | I | A | 0.0000 | |
| 571 | L | A | -2.5825 | |
| 572 | D | A | -3.3479 | |
| 573 | K | A | -2.6076 | |
| 574 | C | A | 0.0000 | |
| 575 | N | A | -2.0770 | |
| 576 | E | A | -2.6123 | |
| 577 | I | A | 0.0000 | |
| 578 | I | A | -1.4600 | |
| 579 | S | A | -1.7828 | |
| 580 | W | A | -1.7611 | |
| 581 | L | A | 0.0000 | |
| 582 | D | A | -2.9643 | |
| 583 | K | A | -2.9267 | |
| 584 | N | A | -2.5426 | |
| 585 | Q | A | -2.2086 | |
| 586 | T | A | -1.6310 | |
| 587 | A | A | -2.1828 | |
| 588 | E | A | -3.7443 | |
| 589 | K | A | -3.7637 | |
| 590 | E | A | -3.9944 | |
| 591 | E | A | -3.8879 | |
| 592 | F | A | 0.0000 | |
| 593 | E | A | -3.6143 | |
| 594 | H | A | -3.7200 | |
| 595 | Q | A | -3.0380 | |
| 596 | Q | A | -3.0334 | |
| 597 | K | A | -3.7493 | |
| 598 | E | A | -3.2186 | |
| 599 | L | A | 0.0000 | |
| 600 | E | A | -3.0227 | |
| 601 | K | A | -3.2255 | |
| 602 | V | A | -1.9886 | |
| 603 | C | A | 0.0000 | |
| 604 | N | A | -2.3404 | |
| 605 | P | A | -1.5647 | |
| 606 | I | A | 0.0000 | |
| 607 | I | A | -0.7171 | |
| 608 | T | A | -1.0794 | |
| 609 | K | A | -1.9615 | |
| 610 | L | A | 0.0000 | |
| 611 | Y | A | -0.1575 | |
| 612 | Q | A | -1.3407 | |
| 613 | S | A | -1.2635 | |
| 614 | A | A | -0.7176 | |
| 615 | G | A | -0.7402 | |
| 616 | G | A | -0.3396 | |
| 617 | M | A | 0.3361 | |
| 618 | P | A | -0.0862 | |
| 619 | G | A | -0.4382 | |
| 620 | G | A | -0.3446 | |
| 621 | M | A | 0.3909 | |
| 622 | P | A | 0.0257 | |
| 623 | G | A | -0.1960 | |
| 624 | G | A | 0.2766 | |
| 625 | F | A | 1.3056 | |
| 626 | P | A | 0.1810 | |
| 627 | G | A | -0.5466 | |
| 628 | G | A | -0.7456 | |
| 629 | G | A | -0.9095 | |
| 630 | A | A | -0.5428 | |
| 631 | P | A | -0.6127 | |
| 632 | P | A | -0.6837 | |
| 633 | S | A | -0.7017 | |
| 634 | G | A | -0.8972 | |
| 635 | G | A | -0.8149 | |
| 636 | A | A | -0.5048 | |
| 637 | S | A | -0.6084 | |
| 638 | S | A | -0.6563 | |
| 639 | G | A | -0.5272 | |
| 640 | P | A | -0.2911 | |
| 641 | T | A | -0.1088 | |
| 642 | I | A | 0.7524 | |
| 643 | E | A | -1.5399 | |
| 644 | E | A | -1.8399 | |
| 645 | V | A | -0.1539 | |
| 646 | D | A | -1.6732 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.9713 | 5.2484 | View | CSV | PDB |
| 4.5 | -1.0514 | 5.2484 | View | CSV | PDB |
| 5.0 | -1.1503 | 5.2484 | View | CSV | PDB |
| 5.5 | -1.2509 | 5.2484 | View | CSV | PDB |
| 6.0 | -1.333 | 5.2484 | View | CSV | PDB |
| 6.5 | -1.3792 | 5.2484 | View | CSV | PDB |
| 7.0 | -1.3863 | 5.2484 | View | CSV | PDB |
| 7.5 | -1.3655 | 5.2484 | View | CSV | PDB |
| 8.0 | -1.3286 | 5.2484 | View | CSV | PDB |
| 8.5 | -1.2801 | 5.2484 | View | CSV | PDB |
| 9.0 | -1.2207 | 5.2484 | 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