| Chain sequence(s) |
A: MASSCLFNASVSSLNPKQDPIRRHRSTSLLRHRPVVISCTADGNNIKAPIETAVKPPHRTEDNIRDEARRNRSNAVNPFSAKYVPFNAAPGSTESYSLDEIVYRSRSGGLLDVEHDMEALKRFDGAYWRDLFDSRVGKSTWPYGSGVWSKKEWVLPEIDDDDIVSAFEGNSNLFWAERFGKQFLGMNDLWVKHCGISHTGSFKDLGMTVLVSQVNRLRKMKRPVVGVGCASTGDTSAALSAYCASAGIPSIVFLPANKISMAQLVQPIANGAFVLSIDTDFDGCMKLIREITAELPIYLANSLNSLRLEGQKTAAIEILQQFDWQVPDWVIVPGGNLGNIYAFYKGFKMCQELGLVDRIPRMVCAQAANANPLYLHYKSGWKDFKPMTASTTFASAIQIGDPVSIDRAVYALKKCNGIVEEATEEELMDAMAQADSTGMFICPHTGVALTALFKLRNQGVIAPTDRTVVVSTAHGLKFTQSKIDYHSNAIPDMACRFSNPPVDVKADFGAVMDVLKSYLGSNTLTS
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 globular. Max 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 (00:05:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a85bdf06dd61aef/tmp/folded.pdb (00:05:22)
[INFO] Main: Simulation completed successfully. (00:07:36)
|
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 | 1.0376 | |
| 2 | A | A | 0.4345 | |
| 3 | S | A | 0.1012 | |
| 4 | S | A | 0.4027 | |
| 5 | C | A | 1.7729 | |
| 6 | L | A | 2.5663 | |
| 7 | F | A | 2.2088 | |
| 8 | N | A | 0.0820 | |
| 9 | A | A | 0.1865 | |
| 10 | S | A | 0.3655 | |
| 11 | V | A | 1.6881 | |
| 12 | S | A | 0.7639 | |
| 13 | S | A | 0.5482 | |
| 14 | L | A | 0.8921 | |
| 15 | N | A | -1.1045 | |
| 16 | P | A | -1.7159 | |
| 17 | K | A | -3.0773 | |
| 18 | Q | A | -2.8617 | |
| 19 | D | A | -2.4011 | |
| 20 | P | A | -1.0553 | |
| 21 | I | A | -0.0829 | |
| 22 | R | A | -2.2552 | |
| 23 | R | A | -3.3736 | |
| 24 | H | A | -3.0736 | |
| 25 | R | A | -3.1667 | |
| 26 | S | A | -1.5158 | |
| 27 | T | A | -0.2740 | |
| 28 | S | A | 0.4039 | |
| 29 | L | A | 1.4409 | |
| 30 | L | A | 0.8143 | |
| 31 | R | A | -1.6949 | |
| 32 | H | A | -1.9865 | |
| 33 | R | A | -2.0342 | |
| 34 | P | A | 0.0098 | |
| 35 | V | A | 2.4136 | |
| 36 | V | A | 3.3097 | |
| 37 | I | A | 3.4451 | |
| 38 | S | A | 1.8611 | |
| 39 | C | A | 1.1649 | |
| 40 | T | A | -0.0524 | |
| 41 | A | A | -0.9720 | |
| 42 | D | A | -2.3651 | |
| 43 | G | A | -2.0478 | |
| 44 | N | A | -2.2382 | |
| 45 | N | A | -1.6702 | |
| 46 | I | A | 0.1671 | |
| 47 | K | A | -0.9098 | |
| 48 | A | A | -0.2552 | |
| 49 | P | A | 0.0027 | |
| 50 | I | A | 0.7090 | |
| 51 | E | A | -0.6368 | |
| 52 | T | A | -0.2245 | |
| 53 | A | A | 0.1646 | |
| 54 | V | A | 0.3992 | |
| 55 | K | A | -1.4019 | |
| 56 | P | A | -1.4360 | |
| 57 | P | A | -2.5200 | |
| 58 | H | A | -2.9616 | |
| 59 | R | A | -3.3455 | |
| 60 | T | A | -2.8146 | |
| 61 | E | A | -3.9271 | |
| 62 | D | A | -4.4289 | |
| 63 | N | A | -3.0614 | |
| 64 | I | A | -1.6791 | |
| 65 | R | A | -2.4498 | |
| 66 | D | A | -3.6375 | |
| 67 | E | A | -3.5356 | |
| 68 | A | A | -2.9789 | |
| 69 | R | A | -3.6345 | |
| 70 | R | A | -4.0302 | |
| 71 | N | A | -3.7154 | |
| 72 | R | A | -3.4348 | |
| 73 | S | A | -1.9381 | |
| 74 | N | A | -1.5043 | |
| 75 | A | A | -0.2046 | |
| 76 | V | A | 0.9572 | |
| 77 | N | A | -0.6598 | |
| 78 | P | A | -0.8262 | |
| 79 | F | A | -0.7850 | |
| 80 | S | A | -1.2203 | |
| 81 | A | A | 0.0000 | |
| 82 | K | A | -1.6063 | |
| 83 | Y | A | 0.0000 | |
| 84 | V | A | -0.8121 | |
| 85 | P | A | -1.0104 | |
| 86 | F | A | -0.9562 | |
| 87 | N | A | -1.3841 | |
| 88 | A | A | -0.7088 | |
| 89 | A | A | -0.5009 | |
| 90 | P | A | -0.6637 | |
| 91 | G | A | -0.7046 | |
| 92 | S | A | -0.6882 | |
| 93 | T | A | -0.4307 | |
| 94 | E | A | -0.7169 | |
| 95 | S | A | -0.7580 | |
| 96 | Y | A | -0.3307 | |
| 97 | S | A | -0.5830 | |
| 98 | L | A | 0.0000 | |
| 99 | D | A | -0.7160 | |
| 100 | E | A | -0.6504 | |
| 101 | I | A | 0.3271 | |
| 102 | V | A | 0.0406 | |
| 103 | Y | A | -0.3772 | |
| 104 | R | A | -1.5746 | |
| 105 | S | A | 0.0000 | |
| 106 | R | A | -2.3708 | |
| 107 | S | A | -1.5020 | |
| 108 | G | A | -1.4086 | |
| 109 | G | A | -1.3320 | |
| 110 | L | A | -0.8189 | |
| 111 | L | A | 0.0000 | |
| 112 | D | A | -0.8276 | |
| 113 | V | A | 0.0000 | |
| 114 | E | A | -1.7517 | |
| 115 | H | A | 0.0000 | |
| 116 | D | A | -1.9727 | |
| 117 | M | A | -2.0302 | |
| 118 | E | A | -2.7538 | |
| 119 | A | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | K | A | -3.3299 | |
| 122 | R | A | -2.9111 | |
| 123 | F | A | -1.5830 | |
| 124 | D | A | -2.2021 | |
| 125 | G | A | 0.0000 | |
| 126 | A | A | -0.8209 | |
| 127 | Y | A | -0.8241 | |
| 128 | W | A | 0.0000 | |
| 129 | R | A | -1.8399 | |
| 130 | D | A | -2.0600 | |
| 131 | L | A | -0.7810 | |
| 132 | F | A | 0.0000 | |
| 133 | D | A | -1.5271 | |
| 134 | S | A | -0.9604 | |
| 135 | R | A | 0.0000 | |
| 136 | V | A | 0.0120 | |
| 137 | G | A | -0.8780 | |
| 138 | K | A | -1.3030 | |
| 139 | S | A | -0.5910 | |
| 140 | T | A | -0.7398 | |
| 141 | W | A | 0.0000 | |
| 142 | P | A | 0.0000 | |
| 143 | Y | A | 0.0819 | |
| 144 | G | A | -0.3540 | |
| 145 | S | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | V | A | 0.0000 | |
| 148 | W | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | K | A | 0.0000 | |
| 151 | K | A | -0.4183 | |
| 152 | E | A | -0.6213 | |
| 153 | W | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | P | A | 0.0000 | |
| 157 | E | A | -1.6980 | |
| 158 | I | A | 0.0000 | |
| 159 | D | A | -1.5380 | |
| 160 | D | A | -1.4834 | |
| 161 | D | A | -1.4719 | |
| 162 | D | A | -1.2527 | |
| 163 | I | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | S | A | 0.1581 | |
| 166 | A | A | 0.0919 | |
| 167 | F | A | 0.2585 | |
| 168 | E | A | 0.0000 | |
| 169 | G | A | -0.6144 | |
| 170 | N | A | -1.2387 | |
| 171 | S | A | -0.7411 | |
| 172 | N | A | -0.7950 | |
| 173 | L | A | -0.1537 | |
| 174 | F | A | 0.6047 | |
| 175 | W | A | 0.0437 | |
| 176 | A | A | 0.0000 | |
| 177 | E | A | -2.5291 | |
| 178 | R | A | -3.2719 | |
| 179 | F | A | 0.0000 | |
| 180 | G | A | 0.0000 | |
| 181 | K | A | -3.3398 | |
| 182 | Q | A | -2.6145 | |
| 183 | F | A | -0.8776 | |
| 184 | L | A | 0.0000 | |
| 185 | G | A | -2.0061 | |
| 186 | M | A | 0.0000 | |
| 187 | N | A | -2.5571 | |
| 188 | D | A | -1.3822 | |
| 189 | L | A | 0.0000 | |
| 190 | W | A | 0.2126 | |
| 191 | V | A | 0.0000 | |
| 192 | K | A | 0.0000 | |
| 193 | H | A | 0.0875 | |
| 194 | C | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | I | A | 1.2084 | |
| 197 | S | A | 0.0066 | |
| 198 | H | A | -0.5793 | |
| 199 | T | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | K | A | -0.4253 | |
| 204 | D | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | M | A | 0.0000 | |
| 208 | T | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | S | A | 0.0000 | |
| 213 | Q | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | N | A | 0.0000 | |
| 216 | R | A | -1.6534 | |
| 217 | L | A | 0.0000 | |
| 218 | R | A | -2.3229 | |
| 219 | K | A | -2.7406 | |
| 220 | M | A | -1.8194 | |
| 221 | K | A | -2.9721 | |
| 222 | R | A | -2.5598 | |
| 223 | P | A | -1.1403 | |
| 224 | V | A | 0.0000 | |
| 225 | V | A | 0.7843 | |
| 226 | G | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | C | A | 0.0000 | |
| 230 | A | A | 0.2472 | |
| 231 | S | A | -0.4667 | |
| 232 | T | A | -0.2625 | |
| 233 | G | A | -0.5780 | |
| 234 | D | A | -0.6917 | |
| 235 | T | A | -0.3446 | |
| 236 | S | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | A | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | S | A | 0.0000 | |
| 241 | A | A | -0.2831 | |
| 242 | Y | A | 0.0000 | |
| 243 | C | A | 0.0000 | |
| 244 | A | A | -0.4747 | |
| 245 | S | A | -0.3810 | |
| 246 | A | A | -0.3457 | |
| 247 | G | A | -0.5905 | |
| 248 | I | A | 0.0000 | |
| 249 | P | A | 0.3113 | |
| 250 | S | A | 0.0000 | |
| 251 | I | A | 1.0711 | |
| 252 | V | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | P | A | 0.0000 | |
| 256 | A | A | -1.3668 | |
| 257 | N | A | -1.9932 | |
| 258 | K | A | -1.4101 | |
| 259 | I | A | 0.0488 | |
| 260 | S | A | 0.2078 | |
| 261 | M | A | 1.3003 | |
| 262 | A | A | 0.3756 | |
| 263 | Q | A | -0.5661 | |
| 264 | L | A | 0.0000 | |
| 265 | V | A | 1.4406 | |
| 266 | Q | A | 0.4040 | |
| 267 | P | A | 0.0000 | |
| 268 | I | A | 1.6347 | |
| 269 | A | A | 0.5014 | |
| 270 | N | A | 0.0413 | |
| 271 | G | A | 0.1712 | |
| 272 | A | A | 1.1059 | |
| 273 | F | A | 2.2837 | |
| 274 | V | A | 1.7853 | |
| 275 | L | A | 0.9085 | |
| 276 | S | A | -0.2379 | |
| 277 | I | A | -0.8370 | |
| 278 | D | A | -2.2613 | |
| 279 | T | A | -1.9352 | |
| 280 | D | A | -2.4895 | |
| 281 | F | A | -0.6437 | |
| 282 | D | A | -1.9844 | |
| 283 | G | A | -1.9046 | |
| 284 | C | A | 0.0000 | |
| 285 | M | A | -1.6980 | |
| 286 | K | A | -2.8944 | |
| 287 | L | A | -1.5207 | |
| 288 | I | A | 0.0000 | |
| 289 | R | A | -3.1157 | |
| 290 | E | A | -3.0482 | |
| 291 | I | A | -1.4980 | |
| 292 | T | A | -1.1842 | |
| 293 | A | A | -1.5371 | |
| 294 | E | A | -1.9150 | |
| 295 | L | A | -0.1587 | |
| 296 | P | A | 0.2026 | |
| 297 | I | A | 0.0000 | |
| 298 | Y | A | 0.0000 | |
| 299 | L | A | 0.0586 | |
| 300 | A | A | 0.0000 | |
| 301 | N | A | -0.2288 | |
| 302 | S | A | 0.0166 | |
| 303 | L | A | 0.0478 | |
| 304 | N | A | 0.0000 | |
| 305 | S | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | R | A | -0.2918 | |
| 308 | L | A | 0.0000 | |
| 309 | E | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | Q | A | 0.0000 | |
| 312 | K | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | E | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | Q | A | -1.2737 | |
| 321 | Q | A | -1.5322 | |
| 322 | F | A | 0.0000 | |
| 323 | D | A | -2.4762 | |
| 324 | W | A | -1.7481 | |
| 325 | Q | A | -2.1666 | |
| 326 | V | A | 0.0000 | |
| 327 | P | A | 0.0000 | |
| 328 | D | A | -1.1649 | |
| 329 | W | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | I | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | G | A | 0.0000 | |
| 335 | G | A | 0.0000 | |
| 336 | N | A | -0.3840 | |
| 337 | L | A | 0.0000 | |
| 338 | G | A | -0.2715 | |
| 339 | N | A | -0.3337 | |
| 340 | I | A | 0.0000 | |
| 341 | Y | A | 0.0000 | |
| 342 | A | A | 0.0000 | |
| 343 | F | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | K | A | -0.3707 | |
| 346 | G | A | 0.0000 | |
| 347 | F | A | 0.0000 | |
| 348 | K | A | -1.4403 | |
| 349 | M | A | 0.0000 | |
| 350 | C | A | 0.0000 | |
| 351 | Q | A | -1.9510 | |
| 352 | E | A | -2.1420 | |
| 353 | L | A | 0.0000 | |
| 354 | G | A | -2.0403 | |
| 355 | L | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | D | A | -2.6852 | |
| 358 | R | A | -2.1513 | |
| 359 | I | A | -1.4671 | |
| 360 | P | A | 0.0000 | |
| 361 | R | A | -1.6499 | |
| 362 | M | A | 0.0000 | |
| 363 | V | A | 0.0000 | |
| 364 | C | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | Q | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | A | A | -0.3079 | |
| 369 | N | A | -0.4299 | |
| 370 | A | A | 0.0000 | |
| 371 | N | A | 0.0000 | |
| 372 | P | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | Y | A | 0.2843 | |
| 375 | L | A | -0.0059 | |
| 376 | H | A | 0.0000 | |
| 377 | Y | A | -0.7737 | |
| 378 | K | A | -1.6734 | |
| 379 | S | A | -1.4856 | |
| 380 | G | A | -1.5005 | |
| 381 | W | A | -1.4721 | |
| 382 | K | A | -2.7681 | |
| 383 | D | A | -2.8896 | |
| 384 | F | A | -1.7401 | |
| 385 | K | A | -2.2434 | |
| 386 | P | A | -1.4471 | |
| 387 | M | A | -0.5029 | |
| 388 | T | A | -0.3321 | |
| 389 | A | A | -0.4166 | |
| 390 | S | A | -0.3357 | |
| 391 | T | A | -0.2577 | |
| 392 | T | A | 0.0000 | |
| 393 | F | A | 0.1981 | |
| 394 | A | A | 0.0000 | |
| 395 | S | A | -0.1614 | |
| 396 | A | A | -0.1874 | |
| 397 | I | A | 0.0000 | |
| 398 | Q | A | -0.5963 | |
| 399 | I | A | -0.3042 | |
| 400 | G | A | 0.0000 | |
| 401 | D | A | -1.7196 | |
| 402 | P | A | 0.0000 | |
| 403 | V | A | 0.1978 | |
| 404 | S | A | 0.0000 | |
| 405 | I | A | -0.5326 | |
| 406 | D | A | -1.4647 | |
| 407 | R | A | 0.0000 | |
| 408 | A | A | 0.0000 | |
| 409 | V | A | -0.8014 | |
| 410 | Y | A | -1.3567 | |
| 411 | A | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | K | A | -2.7115 | |
| 414 | K | A | -2.8468 | |
| 415 | C | A | 0.0000 | |
| 416 | N | A | -2.4836 | |
| 417 | G | A | -1.5458 | |
| 418 | I | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | E | A | 0.0000 | |
| 421 | E | A | -0.3087 | |
| 422 | A | A | 0.0000 | |
| 423 | T | A | -0.6779 | |
| 424 | E | A | -0.8486 | |
| 425 | E | A | -1.3420 | |
| 426 | E | A | -1.0323 | |
| 427 | L | A | 0.0000 | |
| 428 | M | A | 0.0000 | |
| 429 | D | A | -0.8380 | |
| 430 | A | A | -0.2284 | |
| 431 | M | A | 0.0000 | |
| 432 | A | A | 0.0000 | |
| 433 | Q | A | -0.2759 | |
| 434 | A | A | 0.0000 | |
| 435 | D | A | -0.1817 | |
| 436 | S | A | -0.6440 | |
| 437 | T | A | -1.0394 | |
| 438 | G | A | -0.6350 | |
| 439 | M | A | 0.0000 | |
| 440 | F | A | 1.2662 | |
| 441 | I | A | 0.0000 | |
| 442 | C | A | 0.0000 | |
| 443 | P | A | 0.0000 | |
| 444 | H | A | 0.0000 | |
| 445 | T | A | 0.0000 | |
| 446 | G | A | 0.0000 | |
| 447 | V | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | T | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | F | A | 0.2730 | |
| 454 | K | A | -0.7155 | |
| 455 | L | A | 0.0000 | |
| 456 | R | A | -1.0969 | |
| 457 | N | A | -1.8687 | |
| 458 | Q | A | -1.8569 | |
| 459 | G | A | -1.1900 | |
| 460 | V | A | -0.2959 | |
| 461 | I | A | 0.0000 | |
| 462 | A | A | -0.6347 | |
| 463 | P | A | -0.9799 | |
| 464 | T | A | -0.9118 | |
| 465 | D | A | -0.9405 | |
| 466 | R | A | -1.0810 | |
| 467 | T | A | 0.0000 | |
| 468 | V | A | 0.0000 | |
| 469 | V | A | 0.0000 | |
| 470 | V | A | 0.0000 | |
| 471 | S | A | 0.0000 | |
| 472 | T | A | 0.0744 | |
| 473 | A | A | 0.0000 | |
| 474 | H | A | 0.7344 | |
| 475 | G | A | 0.0000 | |
| 476 | L | A | 1.4898 | |
| 477 | K | A | -0.2088 | |
| 478 | F | A | 0.4471 | |
| 479 | T | A | 0.3965 | |
| 480 | Q | A | -0.5056 | |
| 481 | S | A | -0.0975 | |
| 482 | K | A | 0.0000 | |
| 483 | I | A | 0.8020 | |
| 484 | D | A | -0.3519 | |
| 485 | Y | A | 0.0000 | |
| 486 | H | A | -0.9659 | |
| 487 | S | A | -0.8553 | |
| 488 | N | A | -1.6484 | |
| 489 | A | A | -0.7875 | |
| 490 | I | A | 0.0000 | |
| 491 | P | A | -1.3068 | |
| 492 | D | A | -1.9257 | |
| 493 | M | A | -1.5355 | |
| 494 | A | A | -1.2107 | |
| 495 | C | A | 0.0000 | |
| 496 | R | A | -1.9331 | |
| 497 | F | A | -0.8087 | |
| 498 | S | A | -1.2507 | |
| 499 | N | A | -1.3444 | |
| 500 | P | A | -0.7095 | |
| 501 | P | A | -0.1957 | |
| 502 | V | A | 0.8411 | |
| 503 | D | A | -0.8300 | |
| 504 | V | A | -0.3456 | |
| 505 | K | A | -1.6667 | |
| 506 | A | A | -0.8417 | |
| 507 | D | A | -0.5763 | |
| 508 | F | A | 1.1287 | |
| 509 | G | A | 0.0967 | |
| 510 | A | A | -0.1012 | |
| 511 | V | A | 0.2867 | |
| 512 | M | A | 0.1203 | |
| 513 | D | A | -1.1145 | |
| 514 | V | A | 0.4031 | |
| 515 | L | A | 0.5410 | |
| 516 | K | A | -1.1997 | |
| 517 | S | A | -0.3478 | |
| 518 | Y | A | 1.3183 | |
| 519 | L | A | 1.3579 | |
| 520 | G | A | -0.0199 | |
| 521 | S | A | -0.5281 | |
| 522 | N | A | -0.9072 | |
| 523 | T | A | -0.0379 | |
| 524 | L | A | 1.0289 | |
| 525 | T | A | 0.0882 | |
| 526 | S | A | -0.1321 |
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 | -0.3436 | 5.198 | View | CSV | PDB |
| 4.5 | -0.3986 | 5.198 | View | CSV | PDB |
| 5.0 | -0.463 | 5.198 | View | CSV | PDB |
| 5.5 | -0.5253 | 5.198 | View | CSV | PDB |
| 6.0 | -0.5748 | 5.198 | View | CSV | PDB |
| 6.5 | -0.606 | 5.198 | View | CSV | PDB |
| 7.0 | -0.621 | 5.198 | View | CSV | PDB |
| 7.5 | -0.6258 | 5.198 | View | CSV | PDB |
| 8.0 | -0.6243 | 5.198 | View | CSV | PDB |
| 8.5 | -0.6155 | 5.198 | View | CSV | PDB |
| 9.0 | -0.5965 | 5.198 | 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