| Chain sequence(s) |
A: MGSSHHHHHHSSGLVPRGSHMEFKRSMKIVLVLYDAGKHAADEEKLYGCTENKLGIANWLKDQGHELITTSDKEGGNSVLDQHIPDADIIITTPFHPAYITKERIDKAKKLKLVVVAGVGSDHIDLDYINQTGKKISVLEVTGSNVVSVAEHVLMTMLVLVRNFVPAHEQIINHDWEVAAIAKDAYDIEGKTIATIGAGRIGYRVLERLVPFNPKELLYYDYQALPKDAEEKVGARRVENIEELVAQADIVTINAPLHAGTKGLINKELLSKFKKGAWLVNTARGAICVAEDVAAALESGQLRGYGGDVWFPQPAPKDHPWRDMRNKYGAGNAMTPHYSGTTLDAQTRYAEGTKNILESFFTGKFDYRPQDIILLNGEYITKAYGKHDKKGSGGGGSASMAMRSDKHSTSSGANKEAKYERVEKIDVDKAGHTNLRDVREDRGGEDPALNFQDKRPAGLVPGAAVGMIPTQSSETEVRSASSLSSGRASDQYAGRTSSMSSHTSGSSTVGSHTHGSIRHDSASMDSGVASGGAGAYSYQRTEVTSTSGAGPRLGGLQRTVIVPPGPHSQIHEQTDIIRHKTATQSETHMIQVPVTTFGSTNMESVRTGYTVTEDKPLTIAAPVLAQPIHTRLDVQLGGGASAEIHAGTTVDLSAIQGQDLGPEEYARYRAKVEALAREDEREAGLRAAEYRTEVERDAETIRQILERQHIRDLEFRREMIEHQVDRQEREIQLEAEYAMRALEMERQAARKALETAKAQTHVDVRVDTAIGTTISKGAISTSAEKKSTSQVGPTTVTSTKTVTERSSTASRI
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3a5ca96ed49834/tmp/folded.pdb (00:13:37)
[INFO] Main: Simulation completed successfully. (00:17:27)
|
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 | 0.7807 | |
| 2 | G | A | -0.2167 | |
| 3 | S | A | -0.6431 | |
| 4 | S | A | -1.2349 | |
| 5 | H | A | -2.0287 | |
| 6 | H | A | -2.3708 | |
| 7 | H | A | -2.5871 | |
| 8 | H | A | -2.5831 | |
| 9 | H | A | -2.3979 | |
| 10 | H | A | -2.0633 | |
| 11 | S | A | -1.1111 | |
| 12 | S | A | -0.2941 | |
| 13 | G | A | 0.4602 | |
| 14 | L | A | 1.7816 | |
| 15 | V | A | 1.6879 | |
| 16 | P | A | -0.1056 | |
| 17 | R | A | -1.7148 | |
| 18 | G | A | -1.4526 | |
| 19 | S | A | -1.4237 | |
| 20 | H | A | -1.2434 | |
| 21 | M | A | -0.1295 | |
| 22 | E | A | -1.4505 | |
| 23 | F | A | -0.1963 | |
| 24 | K | A | -2.1238 | |
| 25 | R | A | -2.4790 | |
| 26 | S | A | -1.8735 | |
| 27 | M | A | -1.6411 | |
| 28 | K | A | -1.6299 | |
| 29 | I | A | 0.0000 | |
| 30 | V | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | Y | A | -1.0958 | |
| 35 | D | A | -2.5515 | |
| 36 | A | A | -2.2110 | |
| 37 | G | A | -2.4474 | |
| 38 | K | A | -3.0363 | |
| 39 | H | A | -3.2112 | |
| 40 | A | A | -2.8143 | |
| 41 | A | A | -2.3332 | |
| 42 | D | A | -3.2613 | |
| 43 | E | A | -2.8089 | |
| 44 | E | A | -3.0678 | |
| 45 | K | A | -2.3374 | |
| 46 | L | A | -1.5968 | |
| 47 | Y | A | -0.6886 | |
| 48 | G | A | 0.0000 | |
| 49 | C | A | 0.0000 | |
| 50 | T | A | -1.1157 | |
| 51 | E | A | -1.7415 | |
| 52 | N | A | -1.5436 | |
| 53 | K | A | -0.9077 | |
| 54 | L | A | 0.0000 | |
| 55 | G | A | -1.3817 | |
| 56 | I | A | 0.0000 | |
| 57 | A | A | -1.6879 | |
| 58 | N | A | -2.4513 | |
| 59 | W | A | -1.8248 | |
| 60 | L | A | 0.0000 | |
| 61 | K | A | -3.5239 | |
| 62 | D | A | -3.1048 | |
| 63 | Q | A | -2.4707 | |
| 64 | G | A | -2.5552 | |
| 65 | H | A | 0.0000 | |
| 66 | E | A | -2.2491 | |
| 67 | L | A | -1.1148 | |
| 68 | I | A | -0.0794 | |
| 69 | T | A | -0.3063 | |
| 70 | T | A | 0.0000 | |
| 71 | S | A | -1.2388 | |
| 72 | D | A | -2.0153 | |
| 73 | K | A | 0.0000 | |
| 74 | E | A | -2.5994 | |
| 75 | G | A | -2.0778 | |
| 76 | G | A | -1.8442 | |
| 77 | N | A | -2.2888 | |
| 78 | S | A | 0.0000 | |
| 79 | V | A | -0.9737 | |
| 80 | L | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | Q | A | -1.7165 | |
| 83 | H | A | -1.2954 | |
| 84 | I | A | 0.0000 | |
| 85 | P | A | -2.3085 | |
| 86 | D | A | -2.8059 | |
| 87 | A | A | 0.0000 | |
| 88 | D | A | -1.8230 | |
| 89 | I | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | I | A | 0.0000 | |
| 92 | T | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | P | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | H | A | -0.3895 | |
| 97 | P | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | Y | A | -0.4148 | |
| 100 | I | A | 0.0000 | |
| 101 | T | A | -1.4324 | |
| 102 | K | A | -2.5800 | |
| 103 | E | A | -2.9237 | |
| 104 | R | A | -2.1958 | |
| 105 | I | A | 0.0000 | |
| 106 | D | A | -2.3817 | |
| 107 | K | A | -2.6875 | |
| 108 | A | A | 0.0000 | |
| 109 | K | A | -3.2388 | |
| 110 | K | A | -2.9835 | |
| 111 | L | A | 0.0000 | |
| 112 | K | A | -2.0507 | |
| 113 | L | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | V | A | 0.2178 | |
| 120 | G | A | -0.0240 | |
| 121 | S | A | 0.0000 | |
| 122 | D | A | -0.6128 | |
| 123 | H | A | 0.0000 | |
| 124 | I | A | 0.0000 | |
| 125 | D | A | -1.6436 | |
| 126 | L | A | 0.0000 | |
| 127 | D | A | -2.3020 | |
| 128 | Y | A | -1.6102 | |
| 129 | I | A | 0.0000 | |
| 130 | N | A | -2.4340 | |
| 131 | Q | A | -2.1013 | |
| 132 | T | A | -1.3544 | |
| 133 | G | A | -1.9560 | |
| 134 | K | A | -2.1719 | |
| 135 | K | A | -2.7270 | |
| 136 | I | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | E | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | T | A | -0.4341 | |
| 143 | G | A | 0.0586 | |
| 144 | S | A | 0.0000 | |
| 145 | N | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | V | A | 0.5297 | |
| 148 | S | A | -0.0747 | |
| 149 | V | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | E | A | -0.9225 | |
| 152 | H | A | 0.0000 | |
| 153 | V | A | 0.0000 | |
| 154 | L | A | -0.0557 | |
| 155 | M | A | 0.3203 | |
| 156 | T | A | 0.0000 | |
| 157 | M | A | 0.0000 | |
| 158 | L | A | 0.1461 | |
| 159 | V | A | 0.6857 | |
| 160 | L | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | R | A | -1.1148 | |
| 163 | N | A | 0.0000 | |
| 164 | F | A | 1.2913 | |
| 165 | V | A | 0.5811 | |
| 166 | P | A | 0.5930 | |
| 167 | A | A | 0.6999 | |
| 168 | H | A | 0.2713 | |
| 169 | E | A | -0.4137 | |
| 170 | Q | A | -0.3262 | |
| 171 | I | A | 1.1681 | |
| 172 | I | A | 1.1800 | |
| 173 | N | A | -0.9587 | |
| 174 | H | A | -1.0522 | |
| 175 | D | A | -1.5677 | |
| 176 | W | A | -0.0299 | |
| 177 | E | A | -0.3040 | |
| 178 | V | A | 0.9855 | |
| 179 | A | A | 0.1997 | |
| 180 | A | A | 0.0104 | |
| 181 | I | A | 0.2455 | |
| 182 | A | A | -0.4653 | |
| 183 | K | A | -1.1417 | |
| 184 | D | A | 0.0000 | |
| 185 | A | A | -0.7943 | |
| 186 | Y | A | -1.2802 | |
| 187 | D | A | -2.4491 | |
| 188 | I | A | 0.0000 | |
| 189 | E | A | -2.9723 | |
| 190 | G | A | -2.7084 | |
| 191 | K | A | -2.0487 | |
| 192 | T | A | 0.0000 | |
| 193 | I | A | 0.0000 | |
| 194 | A | A | 0.0000 | |
| 195 | T | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | G | A | -0.7993 | |
| 200 | R | A | -0.7109 | |
| 201 | I | A | -0.3087 | |
| 202 | G | A | 0.0000 | |
| 203 | Y | A | -0.4340 | |
| 204 | R | A | -0.5817 | |
| 205 | V | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | E | A | -0.9748 | |
| 208 | R | A | -0.5800 | |
| 209 | L | A | 0.0000 | |
| 210 | V | A | -0.4271 | |
| 211 | P | A | -0.3498 | |
| 212 | F | A | -0.9309 | |
| 213 | N | A | -2.0211 | |
| 214 | P | A | -2.3085 | |
| 215 | K | A | -2.7056 | |
| 216 | E | A | -1.9525 | |
| 217 | L | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | Y | A | -0.8490 | |
| 221 | D | A | -0.5433 | |
| 222 | Y | A | -0.4182 | |
| 223 | Q | A | -0.7373 | |
| 224 | A | A | -0.7604 | |
| 225 | L | A | -1.1847 | |
| 226 | P | A | -1.7594 | |
| 227 | K | A | -3.3457 | |
| 228 | D | A | -3.8187 | |
| 229 | A | A | -2.7705 | |
| 230 | E | A | -3.2076 | |
| 231 | E | A | -4.1038 | |
| 232 | K | A | -3.5023 | |
| 233 | V | A | 0.0000 | |
| 234 | G | A | -2.1387 | |
| 235 | A | A | -1.8402 | |
| 236 | R | A | -1.8955 | |
| 237 | R | A | -1.4738 | |
| 238 | V | A | 0.0000 | |
| 239 | E | A | -2.5138 | |
| 240 | N | A | -2.0708 | |
| 241 | I | A | -1.4292 | |
| 242 | E | A | -2.4788 | |
| 243 | E | A | -2.8188 | |
| 244 | L | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | A | A | -1.9128 | |
| 247 | Q | A | -1.5542 | |
| 248 | A | A | 0.0000 | |
| 249 | D | A | -1.1244 | |
| 250 | I | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | T | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | N | A | -0.2881 | |
| 255 | A | A | -0.2644 | |
| 256 | P | A | -0.5060 | |
| 257 | L | A | 0.0000 | |
| 258 | H | A | -1.0608 | |
| 259 | A | A | -0.9842 | |
| 260 | G | A | -1.1674 | |
| 261 | T | A | 0.0000 | |
| 262 | K | A | -1.8055 | |
| 263 | G | A | -0.9707 | |
| 264 | L | A | -0.7651 | |
| 265 | I | A | 0.0000 | |
| 266 | N | A | -1.9235 | |
| 267 | K | A | -3.0161 | |
| 268 | E | A | -3.0682 | |
| 269 | L | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | -2.3284 | |
| 272 | K | A | -2.7269 | |
| 273 | F | A | 0.0000 | |
| 274 | K | A | -2.1972 | |
| 275 | K | A | -2.5967 | |
| 276 | G | A | -1.4506 | |
| 277 | A | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | N | A | 0.0000 | |
| 282 | T | A | 0.0000 | |
| 283 | A | A | -0.0820 | |
| 284 | R | A | -0.4179 | |
| 285 | G | A | 0.0000 | |
| 286 | A | A | -0.2955 | |
| 287 | I | A | 0.0000 | |
| 288 | C | A | 0.0000 | |
| 289 | V | A | -0.5711 | |
| 290 | A | A | -0.8073 | |
| 291 | E | A | -2.0435 | |
| 292 | D | A | -2.0498 | |
| 293 | V | A | 0.0000 | |
| 294 | A | A | -1.6711 | |
| 295 | A | A | -1.6136 | |
| 296 | A | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | E | A | -2.6941 | |
| 299 | S | A | -1.8260 | |
| 300 | G | A | -1.7549 | |
| 301 | Q | A | -1.6689 | |
| 302 | L | A | 0.0000 | |
| 303 | R | A | -1.4017 | |
| 304 | G | A | 0.0000 | |
| 305 | Y | A | 0.0000 | |
| 306 | G | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | D | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | W | A | 0.0000 | |
| 311 | F | A | 0.4863 | |
| 312 | P | A | 0.0624 | |
| 313 | Q | A | 0.0000 | |
| 314 | P | A | -0.5070 | |
| 315 | A | A | -0.9729 | |
| 316 | P | A | -1.6962 | |
| 317 | K | A | -3.0445 | |
| 318 | D | A | -3.1608 | |
| 319 | H | A | 0.0000 | |
| 320 | P | A | -2.1475 | |
| 321 | W | A | 0.0000 | |
| 322 | R | A | -2.6386 | |
| 323 | D | A | -2.9776 | |
| 324 | M | A | 0.0000 | |
| 325 | R | A | -2.3140 | |
| 326 | N | A | 0.0000 | |
| 327 | K | A | -2.2622 | |
| 328 | Y | A | -0.8417 | |
| 329 | G | A | -1.3029 | |
| 330 | A | A | 0.0000 | |
| 331 | G | A | -0.7043 | |
| 332 | N | A | -0.7504 | |
| 333 | A | A | 0.2323 | |
| 334 | M | A | -0.3561 | |
| 335 | T | A | -0.0868 | |
| 336 | P | A | -0.0869 | |
| 337 | H | A | 0.1048 | |
| 338 | Y | A | 0.6714 | |
| 339 | S | A | 0.0000 | |
| 340 | G | A | 0.0000 | |
| 341 | T | A | 0.0998 | |
| 342 | T | A | -0.2761 | |
| 343 | L | A | -0.8494 | |
| 344 | D | A | -1.7647 | |
| 345 | A | A | 0.0000 | |
| 346 | Q | A | 0.0000 | |
| 347 | T | A | -0.9752 | |
| 348 | R | A | -0.8824 | |
| 349 | Y | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | E | A | -1.5726 | |
| 352 | G | A | -1.3677 | |
| 353 | T | A | 0.0000 | |
| 354 | K | A | -1.6937 | |
| 355 | N | A | -2.2182 | |
| 356 | I | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | E | A | -1.8921 | |
| 359 | S | A | -1.8395 | |
| 360 | F | A | -0.9860 | |
| 361 | F | A | -1.0191 | |
| 362 | T | A | -1.3551 | |
| 363 | G | A | -1.6728 | |
| 364 | K | A | -2.8317 | |
| 365 | F | A | -2.1692 | |
| 366 | D | A | -2.9506 | |
| 367 | Y | A | 0.0000 | |
| 368 | R | A | -1.8933 | |
| 369 | P | A | -1.2881 | |
| 370 | Q | A | -1.1389 | |
| 371 | D | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | I | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | N | A | -2.1775 | |
| 377 | G | A | 0.0000 | |
| 378 | E | A | -2.7577 | |
| 379 | Y | A | -1.5831 | |
| 380 | I | A | -0.5702 | |
| 381 | T | A | -1.1953 | |
| 382 | K | A | -2.1789 | |
| 383 | A | A | -1.1595 | |
| 384 | Y | A | 0.0000 | |
| 385 | G | A | -1.6118 | |
| 386 | K | A | -2.8797 | |
| 387 | H | A | -3.1307 | |
| 388 | D | A | -3.7342 | |
| 389 | K | A | -4.0264 | |
| 390 | K | A | -3.4146 | |
| 391 | G | A | -2.3880 | |
| 392 | S | A | -1.5211 | |
| 393 | G | A | -1.4263 | |
| 394 | G | A | -1.1483 | |
| 395 | G | A | -1.1204 | |
| 396 | G | A | -0.9807 | |
| 397 | S | A | -0.5644 | |
| 398 | A | A | -0.0458 | |
| 399 | S | A | 0.2470 | |
| 400 | M | A | 1.2393 | |
| 401 | A | A | 0.6230 | |
| 402 | M | A | 0.3427 | |
| 403 | R | A | -1.7878 | |
| 404 | S | A | -2.2086 | |
| 405 | D | A | -3.3400 | |
| 406 | K | A | -3.1681 | |
| 407 | H | A | -2.3648 | |
| 408 | S | A | -1.1265 | |
| 409 | T | A | -0.5408 | |
| 410 | S | A | -0.5065 | |
| 411 | S | A | -0.5478 | |
| 412 | G | A | -1.0748 | |
| 413 | A | A | -1.4413 | |
| 414 | N | A | -2.6520 | |
| 415 | K | A | -3.4971 | |
| 416 | E | A | -3.2454 | |
| 417 | A | A | -2.1234 | |
| 418 | K | A | -2.4340 | |
| 419 | Y | A | -0.9151 | |
| 420 | E | A | -2.6421 | |
| 421 | R | A | -3.6291 | |
| 422 | V | A | -2.4278 | |
| 423 | E | A | -3.9430 | |
| 424 | K | A | -3.1275 | |
| 425 | I | A | -2.0612 | |
| 426 | D | A | -2.9354 | |
| 427 | V | A | -2.4651 | |
| 428 | D | A | -3.1569 | |
| 429 | K | A | -2.7517 | |
| 430 | A | A | -1.5851 | |
| 431 | G | A | -2.1108 | |
| 432 | H | A | -2.1725 | |
| 433 | T | A | -1.9108 | |
| 434 | N | A | -2.3363 | |
| 435 | L | A | -1.6183 | |
| 436 | R | A | -3.5051 | |
| 437 | D | A | -3.8765 | |
| 438 | V | A | -3.2214 | |
| 439 | R | A | -4.5253 | |
| 440 | E | A | -4.4967 | |
| 441 | D | A | -4.1560 | |
| 442 | R | A | -4.1366 | |
| 443 | G | A | -2.7477 | |
| 444 | G | A | -2.5508 | |
| 445 | E | A | -2.8101 | |
| 446 | D | A | -2.0086 | |
| 447 | P | A | -0.9474 | |
| 448 | A | A | -0.5349 | |
| 449 | L | A | -0.2759 | |
| 450 | N | A | -0.9511 | |
| 451 | F | A | 0.1021 | |
| 452 | Q | A | -2.1206 | |
| 453 | D | A | -3.4316 | |
| 454 | K | A | -3.5695 | |
| 455 | R | A | -3.4914 | |
| 456 | P | A | -1.6706 | |
| 457 | A | A | -0.4514 | |
| 458 | G | A | 0.4603 | |
| 459 | L | A | 2.0359 | |
| 460 | V | A | 2.1668 | |
| 461 | P | A | 0.7300 | |
| 462 | G | A | 0.1147 | |
| 463 | A | A | 0.3940 | |
| 464 | A | A | 0.8220 | |
| 465 | V | A | 1.8036 | |
| 466 | G | A | 1.3754 | |
| 467 | M | A | 2.1111 | |
| 468 | I | A | 2.2679 | |
| 469 | P | A | 0.7180 | |
| 470 | T | A | -0.3168 | |
| 471 | Q | A | -1.4413 | |
| 472 | S | A | -1.3227 | |
| 473 | S | A | -1.4860 | |
| 474 | E | A | -2.4028 | |
| 475 | T | A | -1.8198 | |
| 476 | E | A | -1.8303 | |
| 477 | V | A | -0.0684 | |
| 478 | R | A | -1.4985 | |
| 479 | S | A | -0.7292 | |
| 480 | A | A | -0.6337 | |
| 481 | S | A | -0.0040 | |
| 482 | S | A | 0.3999 | |
| 483 | L | A | 1.2428 | |
| 484 | S | A | 0.3094 | |
| 485 | S | A | -0.6122 | |
| 486 | G | A | -1.4957 | |
| 487 | R | A | -2.1367 | |
| 488 | A | A | -1.4496 | |
| 489 | S | A | -1.7574 | |
| 490 | D | A | -2.1994 | |
| 491 | Q | A | -1.5088 | |
| 492 | Y | A | 0.2011 | |
| 493 | A | A | -0.1806 | |
| 494 | G | A | -1.0839 | |
| 495 | R | A | -2.1455 | |
| 496 | T | A | -1.2808 | |
| 497 | S | A | -0.5083 | |
| 498 | S | A | 0.1223 | |
| 499 | M | A | 0.7417 | |
| 500 | S | A | -0.0275 | |
| 501 | S | A | -0.6189 | |
| 502 | H | A | -1.2372 | |
| 503 | T | A | -0.8691 | |
| 504 | S | A | -0.7660 | |
| 505 | G | A | -0.7556 | |
| 506 | S | A | -0.6429 | |
| 507 | S | A | -0.1269 | |
| 508 | T | A | 0.5192 | |
| 509 | V | A | 1.3823 | |
| 510 | G | A | 0.1596 | |
| 511 | S | A | -0.5426 | |
| 512 | H | A | -1.4448 | |
| 513 | T | A | -1.2460 | |
| 514 | H | A | -1.5187 | |
| 515 | G | A | -0.6492 | |
| 516 | S | A | -0.0929 | |
| 517 | I | A | 0.6470 | |
| 518 | R | A | -1.6846 | |
| 519 | H | A | -2.4250 | |
| 520 | D | A | -2.7457 | |
| 521 | S | A | -1.2938 | |
| 522 | A | A | -0.3471 | |
| 523 | S | A | -0.1053 | |
| 524 | M | A | -0.1584 | |
| 525 | D | A | -1.4421 | |
| 526 | S | A | -0.7267 | |
| 527 | G | A | -0.0104 | |
| 528 | V | A | 1.4816 | |
| 529 | A | A | 0.6023 | |
| 530 | S | A | -0.1460 | |
| 531 | G | A | -0.7807 | |
| 532 | G | A | -0.8219 | |
| 533 | A | A | -0.4756 | |
| 534 | G | A | -0.2393 | |
| 535 | A | A | 0.4302 | |
| 536 | Y | A | 1.2847 | |
| 537 | S | A | 0.5418 | |
| 538 | Y | A | 0.4735 | |
| 539 | Q | A | -1.5584 | |
| 540 | R | A | -2.4314 | |
| 541 | T | A | -1.5772 | |
| 542 | E | A | -1.6168 | |
| 543 | V | A | 0.5842 | |
| 544 | T | A | 0.2030 | |
| 545 | S | A | -0.1105 | |
| 546 | T | A | -0.2073 | |
| 547 | S | A | -0.5115 | |
| 548 | G | A | -0.6485 | |
| 549 | A | A | -0.4944 | |
| 550 | G | A | -1.1283 | |
| 551 | P | A | -1.0918 | |
| 552 | R | A | -1.4256 | |
| 553 | L | A | 0.2230 | |
| 554 | G | A | 0.0385 | |
| 555 | G | A | -0.0757 | |
| 556 | L | A | 0.1714 | |
| 557 | Q | A | -1.2715 | |
| 558 | R | A | -1.4586 | |
| 559 | T | A | 0.4396 | |
| 560 | V | A | 2.5294 | |
| 561 | I | A | 3.4186 | |
| 562 | V | A | 2.9325 | |
| 563 | P | A | 1.0285 | |
| 564 | P | A | -0.1637 | |
| 565 | G | A | -0.7977 | |
| 566 | P | A | -1.0688 | |
| 567 | H | A | -1.6124 | |
| 568 | S | A | -1.0659 | |
| 569 | Q | A | -0.7787 | |
| 570 | I | A | 0.3444 | |
| 571 | H | A | -1.4661 | |
| 572 | E | A | -2.4326 | |
| 573 | Q | A | -2.5578 | |
| 574 | T | A | -1.5548 | |
| 575 | D | A | -0.6763 | |
| 576 | I | A | 1.7114 | |
| 577 | I | A | 1.4775 | |
| 578 | R | A | -1.2753 | |
| 579 | H | A | -2.3215 | |
| 580 | K | A | -2.6385 | |
| 581 | T | A | -1.2375 | |
| 582 | A | A | -0.8336 | |
| 583 | T | A | -0.8867 | |
| 584 | Q | A | -1.7837 | |
| 585 | S | A | -1.8236 | |
| 586 | E | A | -2.3793 | |
| 587 | T | A | -1.1050 | |
| 588 | H | A | -0.6280 | |
| 589 | M | A | 1.2209 | |
| 590 | I | A | 2.1100 | |
| 591 | Q | A | 0.9765 | |
| 592 | V | A | 2.1233 | |
| 593 | P | A | 1.3385 | |
| 594 | V | A | 2.1007 | |
| 595 | T | A | 1.2999 | |
| 596 | T | A | 1.1357 | |
| 597 | F | A | 1.7947 | |
| 598 | G | A | 0.3392 | |
| 599 | S | A | -0.2948 | |
| 600 | T | A | -0.4832 | |
| 601 | N | A | -1.1810 | |
| 602 | M | A | -0.5345 | |
| 603 | E | A | -1.2874 | |
| 604 | S | A | -0.4282 | |
| 605 | V | A | 0.3874 | |
| 606 | R | A | -1.1789 | |
| 607 | T | A | -0.5642 | |
| 608 | G | A | -0.3009 | |
| 609 | Y | A | 1.4231 | |
| 610 | T | A | 1.3868 | |
| 611 | V | A | 1.3777 | |
| 612 | T | A | -0.6735 | |
| 613 | E | A | -2.7548 | |
| 614 | D | A | -3.3979 | |
| 615 | K | A | -2.7682 | |
| 616 | P | A | -0.7344 | |
| 617 | L | A | 1.4895 | |
| 618 | T | A | 1.3910 | |
| 619 | I | A | 2.3479 | |
| 620 | A | A | 1.4264 | |
| 621 | A | A | 1.0814 | |
| 622 | P | A | 1.2841 | |
| 623 | V | A | 2.2483 | |
| 624 | L | A | 2.0930 | |
| 625 | A | A | 0.8275 | |
| 626 | Q | A | -0.3210 | |
| 627 | P | A | -0.0018 | |
| 628 | I | A | 0.9139 | |
| 629 | H | A | -0.7254 | |
| 630 | T | A | -0.8062 | |
| 631 | R | A | -1.9147 | |
| 632 | L | A | -0.6234 | |
| 633 | D | A | -1.6379 | |
| 634 | V | A | -0.4297 | |
| 635 | Q | A | -0.7288 | |
| 636 | L | A | 0.4467 | |
| 637 | G | A | -0.3021 | |
| 638 | G | A | -0.6817 | |
| 639 | G | A | -0.7259 | |
| 640 | A | A | -0.2531 | |
| 641 | S | A | -0.9392 | |
| 642 | A | A | -0.8169 | |
| 643 | E | A | -2.0184 | |
| 644 | I | A | -0.7025 | |
| 645 | H | A | -1.3216 | |
| 646 | A | A | -0.5646 | |
| 647 | G | A | -0.5821 | |
| 648 | T | A | -0.2332 | |
| 649 | T | A | 0.1169 | |
| 650 | V | A | 0.7235 | |
| 651 | D | A | -0.4493 | |
| 652 | L | A | 0.7728 | |
| 653 | S | A | 0.2521 | |
| 654 | A | A | 0.5471 | |
| 655 | I | A | 1.0658 | |
| 656 | Q | A | -0.8755 | |
| 657 | G | A | -1.4913 | |
| 658 | Q | A | -2.1035 | |
| 659 | D | A | -2.5035 | |
| 660 | L | A | -1.2418 | |
| 661 | G | A | -1.3211 | |
| 662 | P | A | -1.5429 | |
| 663 | E | A | -2.6327 | |
| 664 | E | A | -2.5643 | |
| 665 | Y | A | -1.4123 | |
| 666 | A | A | -2.0890 | |
| 667 | R | A | -3.2013 | |
| 668 | Y | A | -1.9231 | |
| 669 | R | A | -2.8583 | |
| 670 | A | A | -2.1941 | |
| 671 | K | A | -2.1449 | |
| 672 | V | A | -1.1830 | |
| 673 | E | A | -2.4717 | |
| 674 | A | A | -1.6707 | |
| 675 | L | A | -1.1429 | |
| 676 | A | A | -2.4261 | |
| 677 | R | A | -3.6100 | |
| 678 | E | A | -4.4252 | |
| 679 | D | A | -4.4454 | |
| 680 | E | A | -4.6021 | |
| 681 | R | A | -4.7064 | |
| 682 | E | A | -4.1169 | |
| 683 | A | A | -3.2001 | |
| 684 | G | A | -2.3638 | |
| 685 | L | A | -1.3813 | |
| 686 | R | A | -2.3573 | |
| 687 | A | A | -1.6683 | |
| 688 | A | A | -1.6043 | |
| 689 | E | A | -2.5362 | |
| 690 | Y | A | -1.5274 | |
| 691 | R | A | -2.9606 | |
| 692 | T | A | -3.1611 | |
| 693 | E | A | -3.6558 | |
| 694 | V | A | -2.4280 | |
| 695 | E | A | -4.0420 | |
| 696 | R | A | -4.5425 | |
| 697 | D | A | -4.0887 | |
| 698 | A | A | -2.9356 | |
| 699 | E | A | -3.6547 | |
| 700 | T | A | -2.2714 | |
| 701 | I | A | -1.3080 | |
| 702 | R | A | -2.9600 | |
| 703 | Q | A | -2.8259 | |
| 704 | I | A | -0.9357 | |
| 705 | L | A | -1.1307 | |
| 706 | E | A | -3.4099 | |
| 707 | R | A | -3.7179 | |
| 708 | Q | A | -3.7372 | |
| 709 | H | A | -3.1935 | |
| 710 | I | A | -2.6613 | |
| 711 | R | A | -4.0809 | |
| 712 | D | A | -4.0773 | |
| 713 | L | A | -2.8068 | |
| 714 | E | A | -3.1460 | |
| 715 | F | A | -1.5293 | |
| 716 | R | A | -2.8173 | |
| 717 | R | A | -3.2426 | |
| 718 | E | A | -2.6065 | |
| 719 | M | A | -1.2529 | |
| 720 | I | A | -1.0940 | |
| 721 | E | A | -2.8396 | |
| 722 | H | A | -3.2927 | |
| 723 | Q | A | -2.9117 | |
| 724 | V | A | -2.1627 | |
| 725 | D | A | -4.0669 | |
| 726 | R | A | -4.6628 | |
| 727 | Q | A | -3.8302 | |
| 728 | E | A | -4.2206 | |
| 729 | R | A | -4.4278 | |
| 730 | E | A | -3.4684 | |
| 731 | I | A | -1.4259 | |
| 732 | Q | A | -2.4634 | |
| 733 | L | A | -1.3072 | |
| 734 | E | A | -1.9226 | |
| 735 | A | A | -1.0398 | |
| 736 | E | A | -1.1017 | |
| 737 | Y | A | -0.1673 | |
| 738 | A | A | -0.3052 | |
| 739 | M | A | -0.3051 | |
| 740 | R | A | -1.9987 | |
| 741 | A | A | -0.9948 | |
| 742 | L | A | -1.3439 | |
| 743 | E | A | -2.7922 | |
| 744 | M | A | -1.9926 | |
| 745 | E | A | -3.4866 | |
| 746 | R | A | -4.3213 | |
| 747 | Q | A | -3.5874 | |
| 748 | A | A | -2.5931 | |
| 749 | A | A | -2.7605 | |
| 750 | R | A | -3.6377 | |
| 751 | K | A | -3.6167 | |
| 752 | A | A | -1.7705 | |
| 753 | L | A | -1.2169 | |
| 754 | E | A | -2.8550 | |
| 755 | T | A | -2.0067 | |
| 756 | A | A | -1.5834 | |
| 757 | K | A | -2.3149 | |
| 758 | A | A | -1.7325 | |
| 759 | Q | A | -1.9883 | |
| 760 | T | A | -1.6116 | |
| 761 | H | A | -1.3243 | |
| 762 | V | A | -0.4443 | |
| 763 | D | A | -1.4706 | |
| 764 | V | A | -0.3098 | |
| 765 | R | A | -1.1249 | |
| 766 | V | A | 0.2584 | |
| 767 | D | A | -0.8103 | |
| 768 | T | A | -0.2704 | |
| 769 | A | A | 0.5772 | |
| 770 | I | A | 1.7867 | |
| 771 | G | A | 0.7115 | |
| 772 | T | A | 0.4054 | |
| 773 | T | A | 0.9104 | |
| 774 | I | A | 1.6588 | |
| 775 | S | A | -0.0405 | |
| 776 | K | A | -1.2275 | |
| 777 | G | A | -0.4514 | |
| 778 | A | A | 0.5809 | |
| 779 | I | A | 1.6355 | |
| 780 | S | A | 0.7032 | |
| 781 | T | A | 0.1682 | |
| 782 | S | A | -0.6458 | |
| 783 | A | A | -1.3581 | |
| 784 | E | A | -3.0264 | |
| 785 | K | A | -3.4995 | |
| 786 | K | A | -3.0496 | |
| 787 | S | A | -1.6330 | |
| 788 | T | A | -0.9254 | |
| 789 | S | A | -0.5008 | |
| 790 | Q | A | -0.5161 | |
| 791 | V | A | 0.8273 | |
| 792 | G | A | -0.0353 | |
| 793 | P | A | 0.0309 | |
| 794 | T | A | 0.3151 | |
| 795 | T | A | 0.5968 | |
| 796 | V | A | 1.5920 | |
| 797 | T | A | 0.4533 | |
| 798 | S | A | -0.2722 | |
| 799 | T | A | -0.6177 | |
| 800 | K | A | -1.3771 | |
| 801 | T | A | -0.3179 | |
| 802 | V | A | 0.5576 | |
| 803 | T | A | -0.8075 | |
| 804 | E | A | -2.3696 | |
| 805 | R | A | -2.7106 | |
| 806 | S | A | -1.7324 | |
| 807 | S | A | -1.0555 | |
| 808 | T | A | -0.6829 | |
| 809 | A | A | -0.4107 | |
| 810 | S | A | -0.6314 | |
| 811 | R | A | -0.9586 | |
| 812 | I | A | 1.0671 |
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 | -0.9587 | 4.5577 | View | CSV | PDB |
| 4.5 | -1.0614 | 4.5577 | View | CSV | PDB |
| 5.0 | -1.1897 | 4.5577 | View | CSV | PDB |
| 5.5 | -1.3188 | 4.5577 | View | CSV | PDB |
| 6.0 | -1.4242 | 4.5577 | View | CSV | PDB |
| 6.5 | -1.4906 | 4.5577 | View | CSV | PDB |
| 7.0 | -1.5183 | 4.5577 | View | CSV | PDB |
| 7.5 | -1.5197 | 4.5577 | View | CSV | PDB |
| 8.0 | -1.5062 | 4.5577 | View | CSV | PDB |
| 8.5 | -1.4811 | 4.5577 | View | CSV | PDB |
| 9.0 | -1.4435 | 4.5577 | 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