| Chain sequence(s) |
A: MGQDRPIKFSTEGATSQSYKQFIEALRERLRGGLIHDIPVLPDPTTLQERNRYITVELSNSDTESIEVGIDVTNAYVVAYRAGTQSYFLRDAPSSASDYLFTGTDQHSLPFYGTYGDLERWAHQSRQQIPLGLQALTHGISFFRSGGNDNEEKARTLIVIIQMVAEAARFRYISNRVRVSIQTGTAFQPDAAMISLENNWDNLSRGVQESVQDTFPNQVTLTNIRNEPVIVDSLSHPTVAVLALMLFVCNPPNAAAGGGGSGGGGSGGGGSMAQVQLVESGGGVVQPGRSLRLSCSSSGFIFSDNYMYWVRQAPGKGLEWVATISDGGSYTYYPDSVKGRFTISRDNSKNTLFLQMDSLRPEDTGVYFCARGYYRYEGAMDYWGQGTPVTVSSGGGGSGGGGSGGGGSDIQLTQSPSSLSASVGDRVTITCKSSQSVLYSSNQKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCHQYLSSWTFGQGTKLEIK
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 (00:05:13)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e1a105aa5a200af/tmp/folded.pdb (00:05:13)
[INFO] Main: Simulation completed successfully. (00:09:23)
|
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 | 0.2970 | |
| 2 | G | A | -1.3528 | |
| 3 | Q | A | -2.5389 | |
| 4 | D | A | -3.2584 | |
| 5 | R | A | -3.3805 | |
| 6 | P | A | -2.0962 | |
| 7 | I | A | 0.0000 | |
| 8 | K | A | -2.2857 | |
| 9 | F | A | 0.0000 | |
| 10 | S | A | -1.6127 | |
| 11 | T | A | 0.0000 | |
| 12 | E | A | -2.3676 | |
| 13 | G | A | -1.4284 | |
| 14 | A | A | -1.2731 | |
| 15 | T | A | -1.3570 | |
| 16 | S | A | -1.4327 | |
| 17 | Q | A | -2.1600 | |
| 18 | S | A | -1.7820 | |
| 19 | Y | A | 0.0000 | |
| 20 | K | A | -2.3910 | |
| 21 | Q | A | -2.3706 | |
| 22 | F | A | 0.0000 | |
| 23 | I | A | 0.0000 | |
| 24 | E | A | -1.8664 | |
| 25 | A | A | -1.8433 | |
| 26 | L | A | 0.0000 | |
| 27 | R | A | -2.0650 | |
| 28 | E | A | -2.9827 | |
| 29 | R | A | -2.3898 | |
| 30 | L | A | 0.0000 | |
| 31 | R | A | -2.1276 | |
| 32 | G | A | -1.2757 | |
| 33 | G | A | -0.4288 | |
| 34 | L | A | 0.3525 | |
| 35 | I | A | 0.0869 | |
| 36 | H | A | -1.1856 | |
| 37 | D | A | -1.6179 | |
| 38 | I | A | -0.5688 | |
| 39 | P | A | -0.6310 | |
| 40 | V | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | P | A | -0.6881 | |
| 43 | D | A | -0.4268 | |
| 44 | P | A | -0.3304 | |
| 45 | T | A | -0.0205 | |
| 46 | T | A | -0.4934 | |
| 47 | L | A | -1.3521 | |
| 48 | Q | A | -2.5094 | |
| 49 | E | A | -2.6718 | |
| 50 | R | A | -3.1898 | |
| 51 | N | A | -2.6110 | |
| 52 | R | A | -1.6793 | |
| 53 | Y | A | -0.5508 | |
| 54 | I | A | -0.7419 | |
| 55 | T | A | -0.8269 | |
| 56 | V | A | 0.0000 | |
| 57 | E | A | -1.3933 | |
| 58 | L | A | 0.0000 | |
| 59 | S | A | -1.5386 | |
| 60 | N | A | -1.6445 | |
| 61 | S | A | -1.8247 | |
| 62 | D | A | -2.3100 | |
| 63 | T | A | -1.3275 | |
| 64 | E | A | -1.4173 | |
| 65 | S | A | -1.3261 | |
| 66 | I | A | 0.0000 | |
| 67 | E | A | -0.8456 | |
| 68 | V | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | D | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | T | A | 0.0000 | |
| 74 | N | A | -0.4293 | |
| 75 | A | A | 0.0000 | |
| 76 | Y | A | 0.0485 | |
| 77 | V | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | R | A | -1.3668 | |
| 82 | A | A | -1.0228 | |
| 83 | G | A | -1.0701 | |
| 84 | T | A | -1.0871 | |
| 85 | Q | A | -1.7250 | |
| 86 | S | A | 0.0000 | |
| 87 | Y | A | -0.7907 | |
| 88 | F | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | R | A | -0.7504 | |
| 91 | D | A | -0.6564 | |
| 92 | A | A | -0.4422 | |
| 93 | P | A | -0.5472 | |
| 94 | S | A | -0.8309 | |
| 95 | S | A | -0.9713 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -0.9818 | |
| 98 | D | A | -1.8867 | |
| 99 | Y | A | -0.8312 | |
| 100 | L | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | T | A | -0.9045 | |
| 103 | G | A | -1.2407 | |
| 104 | T | A | -1.6142 | |
| 105 | D | A | -2.5210 | |
| 106 | Q | A | -1.9685 | |
| 107 | H | A | -1.3989 | |
| 108 | S | A | -0.6929 | |
| 109 | L | A | 0.0000 | |
| 110 | P | A | -0.4782 | |
| 111 | F | A | 0.0000 | |
| 112 | Y | A | -0.1903 | |
| 113 | G | A | 0.0000 | |
| 114 | T | A | -0.2780 | |
| 115 | Y | A | -0.2652 | |
| 116 | G | A | -0.6046 | |
| 117 | D | A | -1.0055 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | 0.0000 | |
| 120 | R | A | -2.4017 | |
| 121 | W | A | -1.5765 | |
| 122 | A | A | 0.0000 | |
| 123 | H | A | -1.9611 | |
| 124 | Q | A | -1.7323 | |
| 125 | S | A | -1.4089 | |
| 126 | R | A | 0.0000 | |
| 127 | Q | A | -1.7409 | |
| 128 | Q | A | -1.9448 | |
| 129 | I | A | 0.0000 | |
| 130 | P | A | -1.0592 | |
| 131 | L | A | 0.0000 | |
| 132 | G | A | 0.0000 | |
| 133 | L | A | -0.8227 | |
| 134 | Q | A | -1.3641 | |
| 135 | A | A | -0.7849 | |
| 136 | L | A | 0.0000 | |
| 137 | T | A | -1.1024 | |
| 138 | H | A | -1.1064 | |
| 139 | G | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | S | A | -0.7735 | |
| 142 | F | A | -0.7621 | |
| 143 | F | A | 0.0000 | |
| 144 | R | A | -1.3795 | |
| 145 | S | A | -1.0141 | |
| 146 | G | A | -1.3371 | |
| 147 | G | A | -1.5248 | |
| 148 | N | A | -2.2445 | |
| 149 | D | A | -2.3363 | |
| 150 | N | A | -1.9363 | |
| 151 | E | A | -1.9848 | |
| 152 | E | A | -1.4226 | |
| 153 | K | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | R | A | -1.0348 | |
| 156 | T | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | Q | A | 0.0000 | |
| 163 | M | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | E | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | A | A | 0.0000 | |
| 169 | R | A | -0.5254 | |
| 170 | F | A | 0.0000 | |
| 171 | R | A | -1.7382 | |
| 172 | Y | A | -0.9100 | |
| 173 | I | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | N | A | -1.5125 | |
| 176 | R | A | -0.7663 | |
| 177 | V | A | 0.0000 | |
| 178 | R | A | -0.9213 | |
| 179 | V | A | 0.6040 | |
| 180 | S | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | Q | A | -1.0693 | |
| 183 | T | A | -0.4788 | |
| 184 | G | A | -0.7408 | |
| 185 | T | A | -0.2883 | |
| 186 | A | A | -0.2381 | |
| 187 | F | A | -0.4661 | |
| 188 | Q | A | -1.6302 | |
| 189 | P | A | 0.0000 | |
| 190 | D | A | -0.7664 | |
| 191 | A | A | -0.5733 | |
| 192 | A | A | -0.0544 | |
| 193 | M | A | 0.0000 | |
| 194 | I | A | 0.0000 | |
| 195 | S | A | -0.3014 | |
| 196 | L | A | 0.0000 | |
| 197 | E | A | 0.0000 | |
| 198 | N | A | -0.5165 | |
| 199 | N | A | -0.3826 | |
| 200 | W | A | 0.0000 | |
| 201 | D | A | -0.4701 | |
| 202 | N | A | -0.6739 | |
| 203 | L | A | 0.0000 | |
| 204 | S | A | 0.0000 | |
| 205 | R | A | -0.5904 | |
| 206 | G | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | Q | A | -0.2477 | |
| 209 | E | A | -0.5303 | |
| 210 | S | A | -0.2880 | |
| 211 | V | A | 0.7401 | |
| 212 | Q | A | -0.7666 | |
| 213 | D | A | -1.0933 | |
| 214 | T | A | -0.7913 | |
| 215 | F | A | 0.0000 | |
| 216 | P | A | -0.8165 | |
| 217 | N | A | -1.5643 | |
| 218 | Q | A | -1.4984 | |
| 219 | V | A | 0.0000 | |
| 220 | T | A | -0.0713 | |
| 221 | L | A | 0.0000 | |
| 222 | T | A | -0.4881 | |
| 223 | N | A | -0.5088 | |
| 224 | I | A | 0.3831 | |
| 225 | R | A | -1.8436 | |
| 226 | N | A | -1.9605 | |
| 227 | E | A | -1.5235 | |
| 228 | P | A | -0.4946 | |
| 229 | V | A | 0.2324 | |
| 230 | I | A | 0.7153 | |
| 231 | V | A | 0.0000 | |
| 232 | D | A | -1.0853 | |
| 233 | S | A | -0.7456 | |
| 234 | L | A | -0.4633 | |
| 235 | S | A | -0.5233 | |
| 236 | H | A | -0.4100 | |
| 237 | P | A | -0.2788 | |
| 238 | T | A | 0.1030 | |
| 239 | V | A | 0.0000 | |
| 240 | A | A | -0.0769 | |
| 241 | V | A | -0.3179 | |
| 242 | L | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | M | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | F | A | 0.1661 | |
| 248 | V | A | 0.0627 | |
| 249 | C | A | 0.1184 | |
| 250 | N | A | -1.1660 | |
| 251 | P | A | -1.0659 | |
| 252 | P | A | -1.0668 | |
| 253 | N | A | -1.5878 | |
| 254 | A | A | -0.6810 | |
| 255 | A | A | -0.5211 | |
| 256 | A | A | -0.4107 | |
| 257 | G | A | -0.8056 | |
| 258 | G | A | -1.0026 | |
| 259 | G | A | -1.0833 | |
| 260 | G | A | -1.0475 | |
| 261 | S | A | -0.8662 | |
| 262 | G | A | -0.9992 | |
| 263 | G | A | -1.0690 | |
| 264 | G | A | -1.1213 | |
| 265 | G | A | -1.0766 | |
| 266 | S | A | -0.9446 | |
| 267 | G | A | -1.1445 | |
| 268 | G | A | -1.1770 | |
| 269 | G | A | -1.0026 | |
| 270 | G | A | -0.7147 | |
| 271 | S | A | -0.3648 | |
| 272 | M | A | 0.4046 | |
| 273 | A | A | -0.3183 | |
| 274 | Q | A | -1.1476 | |
| 275 | V | A | -0.3920 | |
| 276 | Q | A | -0.9383 | |
| 277 | L | A | 0.0000 | |
| 278 | V | A | 0.7568 | |
| 279 | E | A | 0.0000 | |
| 280 | S | A | -0.3616 | |
| 281 | G | A | -1.0183 | |
| 282 | G | A | -0.4198 | |
| 283 | G | A | 0.3015 | |
| 284 | V | A | 1.5080 | |
| 285 | V | A | -0.1493 | |
| 286 | Q | A | -1.3721 | |
| 287 | P | A | -1.9027 | |
| 288 | G | A | -2.1439 | |
| 289 | R | A | -2.7329 | |
| 290 | S | A | -2.1695 | |
| 291 | L | A | -1.4046 | |
| 292 | R | A | -2.1496 | |
| 293 | L | A | 0.0000 | |
| 294 | S | A | -0.4135 | |
| 295 | C | A | 0.0000 | |
| 296 | S | A | -0.4074 | |
| 297 | S | A | 0.0000 | |
| 298 | S | A | -0.6043 | |
| 299 | G | A | -0.1646 | |
| 300 | F | A | 0.4301 | |
| 301 | I | A | 0.9490 | |
| 302 | F | A | 0.0000 | |
| 303 | S | A | -0.6562 | |
| 304 | D | A | -0.1890 | |
| 305 | N | A | 0.0000 | |
| 306 | Y | A | 0.0985 | |
| 307 | M | A | 0.0000 | |
| 308 | Y | A | 0.0000 | |
| 309 | W | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | R | A | 0.0000 | |
| 312 | Q | A | -0.7873 | |
| 313 | A | A | -1.2211 | |
| 314 | P | A | -1.1478 | |
| 315 | G | A | -1.4481 | |
| 316 | K | A | -2.3875 | |
| 317 | G | A | -1.6005 | |
| 318 | L | A | 0.0000 | |
| 319 | E | A | -1.0378 | |
| 320 | W | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | D | A | -0.4885 | |
| 327 | G | A | -0.9307 | |
| 328 | G | A | -0.4803 | |
| 329 | S | A | -0.1106 | |
| 330 | Y | A | 0.6363 | |
| 331 | T | A | 0.5299 | |
| 332 | Y | A | 0.2426 | |
| 333 | Y | A | -0.6872 | |
| 334 | P | A | -1.5476 | |
| 335 | D | A | -2.7276 | |
| 336 | S | A | -1.9135 | |
| 337 | V | A | 0.0000 | |
| 338 | K | A | -2.5835 | |
| 339 | G | A | -1.8075 | |
| 340 | R | A | -1.6001 | |
| 341 | F | A | 0.0000 | |
| 342 | T | A | -0.8316 | |
| 343 | I | A | 0.0000 | |
| 344 | S | A | -0.2608 | |
| 345 | R | A | -1.0191 | |
| 346 | D | A | -1.5413 | |
| 347 | N | A | -1.6497 | |
| 348 | S | A | -1.5980 | |
| 349 | K | A | -2.4674 | |
| 350 | N | A | -1.7248 | |
| 351 | T | A | -1.1044 | |
| 352 | L | A | 0.0000 | |
| 353 | F | A | -0.4305 | |
| 354 | L | A | 0.0000 | |
| 355 | Q | A | -1.2853 | |
| 356 | M | A | 0.0000 | |
| 357 | D | A | -2.1771 | |
| 358 | S | A | -1.8846 | |
| 359 | L | A | 0.0000 | |
| 360 | R | A | -2.4751 | |
| 361 | P | A | -1.8528 | |
| 362 | E | A | -2.3523 | |
| 363 | D | A | 0.0000 | |
| 364 | T | A | -0.6798 | |
| 365 | G | A | 0.0000 | |
| 366 | V | A | 0.2003 | |
| 367 | Y | A | 0.0000 | |
| 368 | F | A | 0.0000 | |
| 369 | C | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | R | A | 0.0000 | |
| 372 | G | A | 0.0000 | |
| 373 | Y | A | 0.3572 | |
| 374 | Y | A | 0.2856 | |
| 375 | R | A | -0.2353 | |
| 376 | Y | A | 0.0000 | |
| 377 | E | A | -0.4933 | |
| 378 | G | A | -0.1337 | |
| 379 | A | A | 0.0000 | |
| 380 | M | A | 0.0000 | |
| 381 | D | A | -0.0278 | |
| 382 | Y | A | 0.3840 | |
| 383 | W | A | -0.2127 | |
| 384 | G | A | 0.0000 | |
| 385 | Q | A | -1.3864 | |
| 386 | G | A | 0.0000 | |
| 387 | T | A | 0.0000 | |
| 388 | P | A | 0.0566 | |
| 389 | V | A | 0.0000 | |
| 390 | T | A | 0.1048 | |
| 391 | V | A | 0.0000 | |
| 392 | S | A | -0.7067 | |
| 393 | S | A | -0.9932 | |
| 394 | G | A | -1.0359 | |
| 395 | G | A | -1.0881 | |
| 396 | G | A | -1.1116 | |
| 397 | G | A | -1.0207 | |
| 398 | S | A | -0.8612 | |
| 399 | G | A | -1.0133 | |
| 400 | G | A | -1.0738 | |
| 401 | G | A | -1.1336 | |
| 402 | G | A | -1.0717 | |
| 403 | S | A | -0.9552 | |
| 404 | G | A | -1.1642 | |
| 405 | G | A | -1.4866 | |
| 406 | G | A | -1.4913 | |
| 407 | G | A | -1.6330 | |
| 408 | S | A | -1.4239 | |
| 409 | D | A | -1.9169 | |
| 410 | I | A | 0.0000 | |
| 411 | Q | A | -2.1070 | |
| 412 | L | A | 0.0000 | |
| 413 | T | A | -1.3273 | |
| 414 | Q | A | 0.0000 | |
| 415 | S | A | -0.6850 | |
| 416 | P | A | -0.5025 | |
| 417 | S | A | -0.8781 | |
| 418 | S | A | -1.0421 | |
| 419 | L | A | -0.7664 | |
| 420 | S | A | -1.0755 | |
| 421 | A | A | -0.9632 | |
| 422 | S | A | -0.8542 | |
| 423 | V | A | 0.1766 | |
| 424 | G | A | -0.9026 | |
| 425 | D | A | -1.8192 | |
| 426 | R | A | -2.3845 | |
| 427 | V | A | 0.0000 | |
| 428 | T | A | -0.6282 | |
| 429 | I | A | 0.0000 | |
| 430 | T | A | -0.8094 | |
| 431 | C | A | 0.0000 | |
| 432 | K | A | -2.5010 | |
| 433 | S | A | 0.0000 | |
| 434 | S | A | -1.8922 | |
| 435 | Q | A | -2.0317 | |
| 436 | S | A | -0.9280 | |
| 437 | V | A | 0.0000 | |
| 438 | L | A | 0.0429 | |
| 439 | Y | A | 0.0827 | |
| 440 | S | A | -0.4498 | |
| 441 | S | A | -0.7581 | |
| 442 | N | A | -0.7100 | |
| 443 | Q | A | -1.2573 | |
| 444 | K | A | -0.6565 | |
| 445 | N | A | 0.0000 | |
| 446 | Y | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | W | A | 0.0000 | |
| 450 | Y | A | 0.0000 | |
| 451 | Q | A | 0.0000 | |
| 452 | Q | A | 0.0000 | |
| 453 | K | A | -1.6131 | |
| 454 | P | A | -1.1478 | |
| 455 | G | A | -1.7188 | |
| 456 | K | A | -2.6313 | |
| 457 | A | A | -1.5803 | |
| 458 | P | A | 0.0000 | |
| 459 | K | A | -1.4048 | |
| 460 | L | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | I | A | 0.0000 | |
| 463 | Y | A | 0.0000 | |
| 464 | W | A | 0.0000 | |
| 465 | A | A | 0.0000 | |
| 466 | S | A | -0.5392 | |
| 467 | T | A | -0.6257 | |
| 468 | R | A | -0.8238 | |
| 469 | E | A | -0.8007 | |
| 470 | S | A | -0.8003 | |
| 471 | G | A | -0.6613 | |
| 472 | V | A | -0.5337 | |
| 473 | P | A | -0.4647 | |
| 474 | S | A | -0.6069 | |
| 475 | R | A | -0.7496 | |
| 476 | F | A | 0.0000 | |
| 477 | S | A | -0.4582 | |
| 478 | G | A | -0.4178 | |
| 479 | S | A | -0.6764 | |
| 480 | G | A | -0.9954 | |
| 481 | S | A | -0.8540 | |
| 482 | G | A | -0.8718 | |
| 483 | T | A | -1.5838 | |
| 484 | D | A | -2.2293 | |
| 485 | F | A | 0.0000 | |
| 486 | T | A | -0.7612 | |
| 487 | F | A | 0.0000 | |
| 488 | T | A | -0.5814 | |
| 489 | I | A | 0.0000 | |
| 490 | S | A | -1.3519 | |
| 491 | S | A | -1.2555 | |
| 492 | L | A | 0.0000 | |
| 493 | Q | A | -0.6975 | |
| 494 | P | A | -0.6677 | |
| 495 | E | A | -1.1015 | |
| 496 | D | A | 0.0000 | |
| 497 | I | A | -0.4237 | |
| 498 | A | A | 0.0000 | |
| 499 | T | A | -0.9344 | |
| 500 | Y | A | 0.0000 | |
| 501 | Y | A | 0.0000 | |
| 502 | C | A | 0.0000 | |
| 503 | H | A | 0.0000 | |
| 504 | Q | A | 0.0000 | |
| 505 | Y | A | 0.0000 | |
| 506 | L | A | 0.3826 | |
| 507 | S | A | -0.1554 | |
| 508 | S | A | -0.2694 | |
| 509 | W | A | -0.1039 | |
| 510 | T | A | -0.5510 | |
| 511 | F | A | -0.4365 | |
| 512 | G | A | 0.0000 | |
| 513 | Q | A | -1.7925 | |
| 514 | G | A | 0.0000 | |
| 515 | T | A | 0.0000 | |
| 516 | K | A | -1.7948 | |
| 517 | L | A | 0.0000 | |
| 518 | E | A | -1.9276 | |
| 519 | I | A | -0.8164 | |
| 520 | K | A | -1.6253 |
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 | -0.5586 | 2.591 | View | CSV | PDB |
| 4.5 | -0.5959 | 2.591 | View | CSV | PDB |
| 5.0 | -0.6395 | 2.591 | View | CSV | PDB |
| 5.5 | -0.6824 | 2.591 | View | CSV | PDB |
| 6.0 | -0.7177 | 2.591 | View | CSV | PDB |
| 6.5 | -0.7408 | 2.591 | View | CSV | PDB |
| 7.0 | -0.7523 | 2.591 | View | CSV | PDB |
| 7.5 | -0.7568 | 2.591 | View | CSV | PDB |
| 8.0 | -0.7573 | 2.591 | View | CSV | PDB |
| 8.5 | -0.7537 | 2.591 | View | CSV | PDB |
| 9.0 | -0.7443 | 2.591 | 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