| Chain sequence(s) |
A: MASTPRAKTFKSPTKTPSNIYRKSYLSPSSTSHTPQTPETHTPLRRSARHVSRKIDLGNDPIDAPGNDPIEGMNLIRKRERAPRKPTTDVVPSKSKKTETPKKKKKIDSFTPVSPIRSETIKKTKKKKRVYYNKVEFDETEFEIGDDVYVKRREDSNSDEEEDPEIEDCQICFKSDTNIMIECDDCLGGFHLKCLKPPLKEVPEGDWICQFCEVKKSGQSQTLDLPKPPEGKKLARTMREKLLSGDLWAARIDKLWKEVDDGVYWIRARWYMIPEETVSGRQPHNLKRELYLTNDFADIEMECILRHCSVKCPKEFSKASNDGDDVFLCEYEYDVHWRSFKRLAELADGDSDSDQEWNGRKEEEVDDSDEEMELDDEVLKSKRGGLTSARGGANSRKGRFFGVEKVGMKLIPEHVRCHKQSELEKAKATLLLATRPKSLPCRSKEMEEITSFIKGSISDDQCLGRCMYIHGVPGTGKTISVLSVMKNLKAEVEEGSVSPYCFVEINGLKLASPENIYSVIYEALSGHRVGWKKALQCLNERFAEGKRIGKEDEKPCILLIDELDLLVTRNQSVLYNILDWPTKPNSKLVVLGIANTMDLPEKLLPRISSRMGIQRLCFGPYNHTQLQEIISTRLNGIDAFEKTAIEFASRKVAAISGDARRALEICRRAAEVADHRLNTNKSAKNQLVIMADVEAAIQEMFQAPHIQVMKSVSKLSKIFLTAMVHELYKTGMAETTFDRVATTVSSICLTNGEAFPGWDILLKIGCDLGECRIILCEPGEKHRLQKLQLNFPSDDVAFALKDNKDLPWLANYL
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 (00:14:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/60094e95a88b87e/tmp/folded.pdb (00:14:45)
[INFO] Main: Simulation completed successfully. (00:18:29)
|
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 | 1.0313 | |
| 2 | A | A | 0.4335 | |
| 3 | S | A | -0.0218 | |
| 4 | T | A | -0.6832 | |
| 5 | P | A | -1.1960 | |
| 6 | R | A | -2.2903 | |
| 7 | A | A | -1.8028 | |
| 8 | K | A | -1.6685 | |
| 9 | T | A | -0.3014 | |
| 10 | F | A | 0.7016 | |
| 11 | K | A | -0.9481 | |
| 12 | S | A | -0.8123 | |
| 13 | P | A | -1.0934 | |
| 14 | T | A | -1.1050 | |
| 15 | K | A | -1.8773 | |
| 16 | T | A | -1.0876 | |
| 17 | P | A | -1.0470 | |
| 18 | S | A | -0.6006 | |
| 19 | N | A | -0.1674 | |
| 20 | I | A | 1.4011 | |
| 21 | Y | A | 0.7938 | |
| 22 | R | A | -1.4740 | |
| 23 | K | A | -1.9123 | |
| 24 | S | A | -0.4908 | |
| 25 | Y | A | 1.3045 | |
| 26 | L | A | 1.9786 | |
| 27 | S | A | 0.6240 | |
| 28 | P | A | -0.0409 | |
| 29 | S | A | -0.5380 | |
| 30 | S | A | -0.6177 | |
| 31 | T | A | -0.6456 | |
| 32 | S | A | -0.8566 | |
| 33 | H | A | -1.3931 | |
| 34 | T | A | -1.0439 | |
| 35 | P | A | -1.1954 | |
| 36 | Q | A | -1.7920 | |
| 37 | T | A | -1.2979 | |
| 38 | P | A | -1.6359 | |
| 39 | E | A | -2.4328 | |
| 40 | T | A | -1.5580 | |
| 41 | H | A | -1.4408 | |
| 42 | T | A | -0.7418 | |
| 43 | P | A | -0.5710 | |
| 44 | L | A | -0.0839 | |
| 45 | R | A | -2.1539 | |
| 46 | R | A | -2.4757 | |
| 47 | S | A | -1.7217 | |
| 48 | A | A | -1.1201 | |
| 49 | R | A | -0.9801 | |
| 50 | H | A | -0.6776 | |
| 51 | V | A | 0.4433 | |
| 52 | S | A | -0.7445 | |
| 53 | R | A | -2.1762 | |
| 54 | K | A | -1.7581 | |
| 55 | I | A | 0.1691 | |
| 56 | D | A | -0.9466 | |
| 57 | L | A | 0.2320 | |
| 58 | G | A | -0.9901 | |
| 59 | N | A | -2.2392 | |
| 60 | D | A | -2.0865 | |
| 61 | P | A | -0.7888 | |
| 62 | I | A | 0.6582 | |
| 63 | D | A | -0.8661 | |
| 64 | A | A | -0.6654 | |
| 65 | P | A | -1.1395 | |
| 66 | G | A | -1.5485 | |
| 67 | N | A | -2.4927 | |
| 68 | D | A | -2.2593 | |
| 69 | P | A | -0.7557 | |
| 70 | I | A | 0.5712 | |
| 71 | E | A | -0.9008 | |
| 72 | G | A | -0.6906 | |
| 73 | M | A | 0.1916 | |
| 74 | N | A | 0.3058 | |
| 75 | L | A | 1.8408 | |
| 76 | I | A | 1.2710 | |
| 77 | R | A | -2.0890 | |
| 78 | K | A | -3.9001 | |
| 79 | R | A | -4.5317 | |
| 80 | E | A | -4.3873 | |
| 81 | R | A | -3.4872 | |
| 82 | A | A | -1.7163 | |
| 83 | P | A | -1.8231 | |
| 84 | R | A | -2.8617 | |
| 85 | K | A | -2.8171 | |
| 86 | P | A | -1.5045 | |
| 87 | T | A | -0.9168 | |
| 88 | T | A | -0.7258 | |
| 89 | D | A | -0.6041 | |
| 90 | V | A | 1.7272 | |
| 91 | V | A | 2.1329 | |
| 92 | P | A | 0.4946 | |
| 93 | S | A | -0.9240 | |
| 94 | K | A | -2.3436 | |
| 95 | S | A | -2.3184 | |
| 96 | K | A | -3.0145 | |
| 97 | K | A | -2.9586 | |
| 98 | T | A | -2.2403 | |
| 99 | E | A | -2.2829 | |
| 100 | T | A | -1.4584 | |
| 101 | P | A | -1.8333 | |
| 102 | K | A | -3.0063 | |
| 103 | K | A | -3.7687 | |
| 104 | K | A | -4.0831 | |
| 105 | K | A | -3.2909 | |
| 106 | K | A | -2.3673 | |
| 107 | I | A | 0.1148 | |
| 108 | D | A | -0.8463 | |
| 109 | S | A | 0.0895 | |
| 110 | F | A | 1.7583 | |
| 111 | T | A | 0.9417 | |
| 112 | P | A | 0.9152 | |
| 113 | V | A | 2.0904 | |
| 114 | S | A | 0.7845 | |
| 115 | P | A | 0.5258 | |
| 116 | I | A | 0.9396 | |
| 117 | R | A | -1.5468 | |
| 118 | S | A | -1.0475 | |
| 119 | E | A | -1.7051 | |
| 120 | T | A | -0.9563 | |
| 121 | I | A | 0.1290 | |
| 122 | K | A | -2.0729 | |
| 123 | K | A | -2.6853 | |
| 124 | T | A | -2.6099 | |
| 125 | K | A | -3.9184 | |
| 126 | K | A | -4.0944 | |
| 127 | K | A | -4.2323 | |
| 128 | K | A | -3.4550 | |
| 129 | R | A | -1.6928 | |
| 130 | V | A | 0.8236 | |
| 131 | Y | A | 0.9845 | |
| 132 | Y | A | -0.2287 | |
| 133 | N | A | -1.9250 | |
| 134 | K | A | -3.1103 | |
| 135 | V | A | 0.0000 | |
| 136 | E | A | -3.8565 | |
| 137 | F | A | -2.8289 | |
| 138 | D | A | -3.4463 | |
| 139 | E | A | -3.4655 | |
| 140 | T | A | -3.0236 | |
| 141 | E | A | -4.0678 | |
| 142 | F | A | 0.0000 | |
| 143 | E | A | -3.0337 | |
| 144 | I | A | -1.5661 | |
| 145 | G | A | -1.3945 | |
| 146 | D | A | -1.4903 | |
| 147 | D | A | -1.3165 | |
| 148 | V | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | K | A | -2.4313 | |
| 152 | R | A | -3.5007 | |
| 153 | R | A | -3.9418 | |
| 154 | E | A | -4.2636 | |
| 155 | D | A | -3.7790 | |
| 156 | S | A | -3.6621 | |
| 157 | N | A | -3.0980 | |
| 158 | S | A | -2.6844 | |
| 159 | D | A | -3.9417 | |
| 160 | E | A | -4.5342 | |
| 161 | E | A | -4.6310 | |
| 162 | E | A | -4.5495 | |
| 163 | D | A | -3.6360 | |
| 164 | P | A | -2.0962 | |
| 165 | E | A | -2.2888 | |
| 166 | I | A | -0.3634 | |
| 167 | E | A | -1.4544 | |
| 168 | D | A | -1.4517 | |
| 169 | C | A | 0.0000 | |
| 170 | Q | A | -0.5830 | |
| 171 | I | A | -0.0208 | |
| 172 | C | A | -0.6210 | |
| 173 | F | A | -1.4384 | |
| 174 | K | A | -2.1636 | |
| 175 | S | A | -1.6245 | |
| 176 | D | A | -2.0867 | |
| 177 | T | A | -0.8326 | |
| 178 | N | A | -0.4352 | |
| 179 | I | A | 1.0795 | |
| 180 | M | A | 0.3064 | |
| 181 | I | A | 0.0000 | |
| 182 | E | A | -0.9224 | |
| 183 | C | A | 0.0000 | |
| 184 | D | A | -2.0010 | |
| 185 | D | A | -1.3853 | |
| 186 | C | A | -0.1614 | |
| 187 | L | A | -0.5789 | |
| 188 | G | A | 0.0000 | |
| 189 | G | A | -0.3340 | |
| 190 | F | A | 0.0000 | |
| 191 | H | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | K | A | -2.1354 | |
| 194 | C | A | -0.9670 | |
| 195 | L | A | 0.0000 | |
| 196 | K | A | -2.1416 | |
| 197 | P | A | -1.7392 | |
| 198 | P | A | -1.9873 | |
| 199 | L | A | -1.5932 | |
| 200 | K | A | -2.3391 | |
| 201 | E | A | -2.1701 | |
| 202 | V | A | -0.3629 | |
| 203 | P | A | -1.5151 | |
| 204 | E | A | -2.4329 | |
| 205 | G | A | -2.1929 | |
| 206 | D | A | -2.7302 | |
| 207 | W | A | -1.5756 | |
| 208 | I | A | -0.9074 | |
| 209 | C | A | 0.0000 | |
| 210 | Q | A | -1.3685 | |
| 211 | F | A | 0.0000 | |
| 212 | C | A | -1.9398 | |
| 213 | E | A | -2.9629 | |
| 214 | V | A | -2.6237 | |
| 215 | K | A | -3.6494 | |
| 216 | K | A | -3.5178 | |
| 217 | S | A | -2.5040 | |
| 218 | G | A | -2.5233 | |
| 219 | Q | A | -2.6735 | |
| 220 | S | A | -1.8766 | |
| 221 | Q | A | -1.9757 | |
| 222 | T | A | -0.9092 | |
| 223 | L | A | -0.7367 | |
| 224 | D | A | -1.8404 | |
| 225 | L | A | -0.7520 | |
| 226 | P | A | -1.0209 | |
| 227 | K | A | -2.3836 | |
| 228 | P | A | -1.8372 | |
| 229 | P | A | -2.0258 | |
| 230 | E | A | -2.8361 | |
| 231 | G | A | -2.0734 | |
| 232 | K | A | -2.3136 | |
| 233 | K | A | -2.7235 | |
| 234 | L | A | -1.8656 | |
| 235 | A | A | -1.6737 | |
| 236 | R | A | -2.6226 | |
| 237 | T | A | 0.0000 | |
| 238 | M | A | -1.3419 | |
| 239 | R | A | 0.0000 | |
| 240 | E | A | -1.6587 | |
| 241 | K | A | -1.9175 | |
| 242 | L | A | 0.0000 | |
| 243 | L | A | -0.7106 | |
| 244 | S | A | -1.2419 | |
| 245 | G | A | -1.4092 | |
| 246 | D | A | -2.5064 | |
| 247 | L | A | 0.0000 | |
| 248 | W | A | -0.7223 | |
| 249 | A | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | R | A | -1.5871 | |
| 252 | I | A | 0.0000 | |
| 253 | D | A | -1.8526 | |
| 254 | K | A | -1.8189 | |
| 255 | L | A | 0.0000 | |
| 256 | W | A | 0.0000 | |
| 257 | K | A | -0.3563 | |
| 258 | E | A | 0.0000 | |
| 259 | V | A | -1.1714 | |
| 260 | D | A | -2.9307 | |
| 261 | D | A | -2.4768 | |
| 262 | G | A | -1.1511 | |
| 263 | V | A | -0.6430 | |
| 264 | Y | A | 0.0283 | |
| 265 | W | A | -0.7808 | |
| 266 | I | A | 0.0000 | |
| 267 | R | A | -1.8235 | |
| 268 | A | A | 0.0000 | |
| 269 | R | A | -1.3156 | |
| 270 | W | A | 0.0000 | |
| 271 | Y | A | 0.0000 | |
| 272 | M | A | -0.0960 | |
| 273 | I | A | 0.0000 | |
| 274 | P | A | 0.0000 | |
| 275 | E | A | -0.8800 | |
| 276 | E | A | -0.8633 | |
| 277 | T | A | 0.0000 | |
| 278 | V | A | 1.2079 | |
| 279 | S | A | -0.0928 | |
| 280 | G | A | -0.5142 | |
| 281 | R | A | -1.3103 | |
| 282 | Q | A | -1.5634 | |
| 283 | P | A | -1.1568 | |
| 284 | H | A | -1.5770 | |
| 285 | N | A | -0.9455 | |
| 286 | L | A | -0.2959 | |
| 287 | K | A | -0.7029 | |
| 288 | R | A | -0.4015 | |
| 289 | E | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | Y | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | N | A | -0.7325 | |
| 295 | D | A | -0.7117 | |
| 296 | F | A | -0.5038 | |
| 297 | A | A | -0.6970 | |
| 298 | D | A | -2.0610 | |
| 299 | I | A | -1.0922 | |
| 300 | E | A | -1.1840 | |
| 301 | M | A | 0.0000 | |
| 302 | E | A | -1.7287 | |
| 303 | C | A | -1.3427 | |
| 304 | I | A | 0.0000 | |
| 305 | L | A | -0.2911 | |
| 306 | R | A | -1.1728 | |
| 307 | H | A | -1.0976 | |
| 308 | C | A | 0.0000 | |
| 309 | S | A | -0.7055 | |
| 310 | V | A | -0.4241 | |
| 311 | K | A | -1.0367 | |
| 312 | C | A | -0.9703 | |
| 313 | P | A | -1.5989 | |
| 314 | K | A | -2.8088 | |
| 315 | E | A | -2.4241 | |
| 316 | F | A | -1.9428 | |
| 317 | S | A | -2.0342 | |
| 318 | K | A | -3.0599 | |
| 319 | A | A | 0.0000 | |
| 320 | S | A | -2.0733 | |
| 321 | N | A | -2.6780 | |
| 322 | D | A | -2.9467 | |
| 323 | G | A | -1.8610 | |
| 324 | D | A | -1.4290 | |
| 325 | D | A | -1.0448 | |
| 326 | V | A | 0.0000 | |
| 327 | F | A | 0.0000 | |
| 328 | L | A | -0.2545 | |
| 329 | C | A | 0.0000 | |
| 330 | E | A | -0.9093 | |
| 331 | Y | A | -0.5763 | |
| 332 | E | A | -0.7243 | |
| 333 | Y | A | 0.0000 | |
| 334 | D | A | 0.0000 | |
| 335 | V | A | -0.2889 | |
| 336 | H | A | -0.9130 | |
| 337 | W | A | -0.0188 | |
| 338 | R | A | -1.0241 | |
| 339 | S | A | -0.0969 | |
| 340 | F | A | -0.2781 | |
| 341 | K | A | -1.2585 | |
| 342 | R | A | -2.2185 | |
| 343 | L | A | -0.6466 | |
| 344 | A | A | -0.7256 | |
| 345 | E | A | -1.5796 | |
| 346 | L | A | 0.2996 | |
| 347 | A | A | -0.8971 | |
| 348 | D | A | -2.2743 | |
| 349 | G | A | -2.2924 | |
| 350 | D | A | -2.9723 | |
| 351 | S | A | -2.3692 | |
| 352 | D | A | -2.8736 | |
| 353 | S | A | -2.5322 | |
| 354 | D | A | -3.2318 | |
| 355 | Q | A | -2.9270 | |
| 356 | E | A | -2.6662 | |
| 357 | W | A | -1.1004 | |
| 358 | N | A | -1.9751 | |
| 359 | G | A | -2.4796 | |
| 360 | R | A | -3.5556 | |
| 361 | K | A | -4.1451 | |
| 362 | E | A | -4.4646 | |
| 363 | E | A | -3.5886 | |
| 364 | E | A | -2.7114 | |
| 365 | V | A | -0.8144 | |
| 366 | D | A | -2.1632 | |
| 367 | D | A | -2.7630 | |
| 368 | S | A | -2.7063 | |
| 369 | D | A | -3.5953 | |
| 370 | E | A | -3.4552 | |
| 371 | E | A | -2.9431 | |
| 372 | M | A | -0.7446 | |
| 373 | E | A | -1.3758 | |
| 374 | L | A | -0.3534 | |
| 375 | D | A | -2.7269 | |
| 376 | D | A | -2.8769 | |
| 377 | E | A | -1.8343 | |
| 378 | V | A | 0.8599 | |
| 379 | L | A | 1.1939 | |
| 380 | K | A | -1.0265 | |
| 381 | S | A | -1.9899 | |
| 382 | K | A | -3.2589 | |
| 383 | R | A | -3.1288 | |
| 384 | G | A | -1.6291 | |
| 385 | G | A | -0.3171 | |
| 386 | L | A | 1.1453 | |
| 387 | T | A | 0.5183 | |
| 388 | S | A | -0.2765 | |
| 389 | A | A | -1.1082 | |
| 390 | R | A | -2.1789 | |
| 391 | G | A | -1.6908 | |
| 392 | G | A | -1.3963 | |
| 393 | A | A | -1.2240 | |
| 394 | N | A | -2.1989 | |
| 395 | S | A | -2.2665 | |
| 396 | R | A | -3.4304 | |
| 397 | K | A | -3.2500 | |
| 398 | G | A | -1.9659 | |
| 399 | R | A | -1.2497 | |
| 400 | F | A | 1.8710 | |
| 401 | F | A | 2.0889 | |
| 402 | G | A | 0.9192 | |
| 403 | V | A | 1.3300 | |
| 404 | E | A | -1.3065 | |
| 405 | K | A | -1.2628 | |
| 406 | V | A | 0.5172 | |
| 407 | G | A | -0.2356 | |
| 408 | M | A | 0.5439 | |
| 409 | K | A | -0.5004 | |
| 410 | L | A | 0.9942 | |
| 411 | I | A | 0.9523 | |
| 412 | P | A | -0.5321 | |
| 413 | E | A | -1.6456 | |
| 414 | H | A | -1.2639 | |
| 415 | V | A | 0.1080 | |
| 416 | R | A | -1.8558 | |
| 417 | C | A | -1.5111 | |
| 418 | H | A | -2.0808 | |
| 419 | K | A | -3.2536 | |
| 420 | Q | A | -3.2976 | |
| 421 | S | A | -3.0986 | |
| 422 | E | A | -3.6467 | |
| 423 | L | A | 0.0000 | |
| 424 | E | A | -3.2880 | |
| 425 | K | A | -2.9505 | |
| 426 | A | A | 0.0000 | |
| 427 | K | A | -1.5783 | |
| 428 | A | A | -0.7861 | |
| 429 | T | A | -0.6919 | |
| 430 | L | A | 0.0000 | |
| 431 | L | A | 0.2754 | |
| 432 | L | A | 0.1318 | |
| 433 | A | A | 0.0761 | |
| 434 | T | A | -0.7057 | |
| 435 | R | A | -2.0106 | |
| 436 | P | A | -1.6991 | |
| 437 | K | A | -2.2412 | |
| 438 | S | A | -1.2367 | |
| 439 | L | A | -0.4551 | |
| 440 | P | A | -0.4385 | |
| 441 | C | A | -0.5508 | |
| 442 | R | A | 0.0000 | |
| 443 | S | A | -1.6132 | |
| 444 | K | A | -2.7221 | |
| 445 | E | A | -1.8752 | |
| 446 | M | A | -1.7577 | |
| 447 | E | A | -3.0190 | |
| 448 | E | A | -2.4660 | |
| 449 | I | A | 0.0000 | |
| 450 | T | A | -1.6449 | |
| 451 | S | A | -1.3666 | |
| 452 | F | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | K | A | -1.1006 | |
| 455 | G | A | -0.8487 | |
| 456 | S | A | 0.0000 | |
| 457 | I | A | 0.0000 | |
| 458 | S | A | -1.4787 | |
| 459 | D | A | -2.1869 | |
| 460 | D | A | -2.7460 | |
| 461 | Q | A | -2.2815 | |
| 462 | C | A | -1.3222 | |
| 463 | L | A | 0.0923 | |
| 464 | G | A | -0.2553 | |
| 465 | R | A | -0.1473 | |
| 466 | C | A | 0.0000 | |
| 467 | M | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | I | A | 0.0000 | |
| 470 | H | A | 0.0000 | |
| 471 | G | A | 0.0000 | |
| 472 | V | A | 0.1391 | |
| 473 | P | A | -0.5746 | |
| 474 | G | A | -0.8226 | |
| 475 | T | A | 0.0000 | |
| 476 | G | A | -0.1316 | |
| 477 | K | A | 0.0000 | |
| 478 | T | A | 0.0963 | |
| 479 | I | A | 0.2042 | |
| 480 | S | A | 0.0000 | |
| 481 | V | A | 0.0000 | |
| 482 | L | A | -0.4930 | |
| 483 | S | A | -1.2491 | |
| 484 | V | A | 0.0000 | |
| 485 | M | A | 0.0000 | |
| 486 | K | A | -2.6978 | |
| 487 | N | A | -2.7372 | |
| 488 | L | A | 0.0000 | |
| 489 | K | A | -2.9826 | |
| 490 | A | A | -2.8320 | |
| 491 | E | A | -2.9767 | |
| 492 | V | A | -2.6526 | |
| 493 | E | A | -3.4561 | |
| 494 | E | A | -3.3078 | |
| 495 | G | A | -2.3222 | |
| 496 | S | A | -1.6298 | |
| 497 | V | A | 0.0000 | |
| 498 | S | A | -1.1796 | |
| 499 | P | A | -1.1127 | |
| 500 | Y | A | -0.5104 | |
| 501 | C | A | 0.0584 | |
| 502 | F | A | 0.0679 | |
| 503 | V | A | 0.0000 | |
| 504 | E | A | -1.8203 | |
| 505 | I | A | 0.0000 | |
| 506 | N | A | -1.1165 | |
| 507 | G | A | 0.0000 | |
| 508 | L | A | 0.6433 | |
| 509 | K | A | -1.1872 | |
| 510 | L | A | -0.3775 | |
| 511 | A | A | -0.2182 | |
| 512 | S | A | -0.2989 | |
| 513 | P | A | -0.1464 | |
| 514 | E | A | -0.9757 | |
| 515 | N | A | -0.9856 | |
| 516 | I | A | 0.0000 | |
| 517 | Y | A | 0.0000 | |
| 518 | S | A | -1.1527 | |
| 519 | V | A | -0.6523 | |
| 520 | I | A | 0.0000 | |
| 521 | Y | A | -0.6796 | |
| 522 | E | A | -1.4143 | |
| 523 | A | A | -0.6983 | |
| 524 | L | A | -0.0679 | |
| 525 | S | A | -0.6417 | |
| 526 | G | A | -1.4764 | |
| 527 | H | A | -2.1680 | |
| 528 | R | A | -2.6342 | |
| 529 | V | A | -1.8052 | |
| 530 | G | A | -1.5879 | |
| 531 | W | A | -1.5247 | |
| 532 | K | A | -2.7231 | |
| 533 | K | A | -2.9715 | |
| 534 | A | A | 0.0000 | |
| 535 | L | A | -1.7008 | |
| 536 | Q | A | -2.2760 | |
| 537 | C | A | -1.4532 | |
| 538 | L | A | 0.0000 | |
| 539 | N | A | -1.8847 | |
| 540 | E | A | -2.1547 | |
| 541 | R | A | -2.1846 | |
| 542 | F | A | 0.0000 | |
| 543 | A | A | -2.0261 | |
| 544 | E | A | -3.2860 | |
| 545 | G | A | -2.9203 | |
| 546 | K | A | -2.9754 | |
| 547 | R | A | -2.9903 | |
| 548 | I | A | -0.2044 | |
| 549 | G | A | -1.8051 | |
| 550 | K | A | -3.0702 | |
| 551 | E | A | -3.5136 | |
| 552 | D | A | -3.2606 | |
| 553 | E | A | -3.5259 | |
| 554 | K | A | -2.2231 | |
| 555 | P | A | 0.0000 | |
| 556 | C | A | 0.0000 | |
| 557 | I | A | 0.0000 | |
| 558 | L | A | 0.0000 | |
| 559 | L | A | 0.0000 | |
| 560 | I | A | 0.0000 | |
| 561 | D | A | -1.0613 | |
| 562 | E | A | -0.8009 | |
| 563 | L | A | 0.0000 | |
| 564 | D | A | -0.8066 | |
| 565 | L | A | 0.6591 | |
| 566 | L | A | 0.0000 | |
| 567 | V | A | -0.1771 | |
| 568 | T | A | -1.1335 | |
| 569 | R | A | -2.3712 | |
| 570 | N | A | -2.0417 | |
| 571 | Q | A | -0.9970 | |
| 572 | S | A | -0.8407 | |
| 573 | V | A | 0.0000 | |
| 574 | L | A | 0.0000 | |
| 575 | Y | A | -0.2689 | |
| 576 | N | A | -0.3205 | |
| 577 | I | A | 0.0000 | |
| 578 | L | A | 0.0000 | |
| 579 | D | A | -0.7827 | |
| 580 | W | A | 0.0000 | |
| 581 | P | A | 0.0000 | |
| 582 | T | A | -0.6491 | |
| 583 | K | A | -1.2934 | |
| 584 | P | A | -1.3582 | |
| 585 | N | A | -2.3413 | |
| 586 | S | A | 0.0000 | |
| 587 | K | A | -1.7391 | |
| 588 | L | A | 0.0000 | |
| 589 | V | A | 0.0000 | |
| 590 | V | A | 0.0000 | |
| 591 | L | A | 0.0000 | |
| 592 | G | A | 0.0000 | |
| 593 | I | A | 0.0000 | |
| 594 | A | A | 0.0000 | |
| 595 | N | A | -1.1190 | |
| 596 | T | A | -0.5877 | |
| 597 | M | A | -0.5391 | |
| 598 | D | A | -2.4668 | |
| 599 | L | A | 0.0000 | |
| 600 | P | A | 0.0000 | |
| 601 | E | A | -3.0514 | |
| 602 | K | A | -2.7057 | |
| 603 | L | A | 0.0000 | |
| 604 | L | A | -0.7398 | |
| 605 | P | A | -1.5004 | |
| 606 | R | A | -1.9045 | |
| 607 | I | A | 0.0000 | |
| 608 | S | A | -1.2665 | |
| 609 | S | A | -0.9216 | |
| 610 | R | A | -0.9658 | |
| 611 | M | A | 0.0000 | |
| 612 | G | A | -0.2826 | |
| 613 | I | A | 1.0117 | |
| 614 | Q | A | -0.6069 | |
| 615 | R | A | -1.3188 | |
| 616 | L | A | -0.7577 | |
| 617 | C | A | 0.2057 | |
| 618 | F | A | 0.0000 | |
| 619 | G | A | -0.2485 | |
| 620 | P | A | -0.5860 | |
| 621 | Y | A | 0.0000 | |
| 622 | N | A | -1.8794 | |
| 623 | H | A | -2.1540 | |
| 624 | T | A | -1.5809 | |
| 625 | Q | A | -1.3230 | |
| 626 | L | A | 0.0000 | |
| 627 | Q | A | -2.0339 | |
| 628 | E | A | -1.7400 | |
| 629 | I | A | 0.0000 | |
| 630 | I | A | 0.0000 | |
| 631 | S | A | -1.3741 | |
| 632 | T | A | -1.2321 | |
| 633 | R | A | -1.1847 | |
| 634 | L | A | 0.0000 | |
| 635 | N | A | -1.7966 | |
| 636 | G | A | -1.6878 | |
| 637 | I | A | -1.8340 | |
| 638 | D | A | -2.7849 | |
| 639 | A | A | 0.0000 | |
| 640 | F | A | 0.0000 | |
| 641 | E | A | -1.4340 | |
| 642 | K | A | -2.2798 | |
| 643 | T | A | -1.0597 | |
| 644 | A | A | 0.0000 | |
| 645 | I | A | -1.3170 | |
| 646 | E | A | -2.1897 | |
| 647 | F | A | -1.3488 | |
| 648 | A | A | 0.0000 | |
| 649 | S | A | 0.0000 | |
| 650 | R | A | -2.5099 | |
| 651 | K | A | -1.5012 | |
| 652 | V | A | 0.0000 | |
| 653 | A | A | -1.0478 | |
| 654 | A | A | -0.1979 | |
| 655 | I | A | 1.0064 | |
| 656 | S | A | 0.2459 | |
| 657 | G | A | 0.0000 | |
| 658 | D | A | -0.8649 | |
| 659 | A | A | -1.2836 | |
| 660 | R | A | -1.7814 | |
| 661 | R | A | -1.4622 | |
| 662 | A | A | 0.0000 | |
| 663 | L | A | 0.0000 | |
| 664 | E | A | -1.0220 | |
| 665 | I | A | 0.0000 | |
| 666 | C | A | 0.0000 | |
| 667 | R | A | -0.8280 | |
| 668 | R | A | -0.9986 | |
| 669 | A | A | 0.0000 | |
| 670 | A | A | 0.0000 | |
| 671 | E | A | -1.0595 | |
| 672 | V | A | -0.6302 | |
| 673 | A | A | 0.0000 | |
| 674 | D | A | -1.9072 | |
| 675 | H | A | -1.9158 | |
| 676 | R | A | -1.9526 | |
| 677 | L | A | -2.4856 | |
| 678 | N | A | -2.5663 | |
| 679 | T | A | -2.0096 | |
| 680 | N | A | -2.6910 | |
| 681 | K | A | -2.8719 | |
| 682 | S | A | -1.9606 | |
| 683 | A | A | -2.1951 | |
| 684 | K | A | -2.5660 | |
| 685 | N | A | -1.7090 | |
| 686 | Q | A | -2.1822 | |
| 687 | L | A | -1.1782 | |
| 688 | V | A | 0.0000 | |
| 689 | I | A | 0.2361 | |
| 690 | M | A | 0.2982 | |
| 691 | A | A | 0.2366 | |
| 692 | D | A | 0.0000 | |
| 693 | V | A | 0.0000 | |
| 694 | E | A | -1.0686 | |
| 695 | A | A | -1.0226 | |
| 696 | A | A | 0.0000 | |
| 697 | I | A | 0.0000 | |
| 698 | Q | A | -1.9350 | |
| 699 | E | A | -2.3787 | |
| 700 | M | A | -1.0978 | |
| 701 | F | A | -0.5080 | |
| 702 | Q | A | -1.5523 | |
| 703 | A | A | -0.8392 | |
| 704 | P | A | -0.9339 | |
| 705 | H | A | -0.8988 | |
| 706 | I | A | -0.5244 | |
| 707 | Q | A | -1.4406 | |
| 708 | V | A | -0.1651 | |
| 709 | M | A | 0.0000 | |
| 710 | K | A | -2.1373 | |
| 711 | S | A | -1.0619 | |
| 712 | V | A | -0.7766 | |
| 713 | S | A | -0.8319 | |
| 714 | K | A | -1.6038 | |
| 715 | L | A | -0.2049 | |
| 716 | S | A | 0.0000 | |
| 717 | K | A | -0.7494 | |
| 718 | I | A | 0.0000 | |
| 719 | F | A | 0.0000 | |
| 720 | L | A | 0.0000 | |
| 721 | T | A | 0.0000 | |
| 722 | A | A | 0.0000 | |
| 723 | M | A | 0.0000 | |
| 724 | V | A | 0.0000 | |
| 725 | H | A | -0.3074 | |
| 726 | E | A | 0.0000 | |
| 727 | L | A | -0.1428 | |
| 728 | Y | A | 0.5074 | |
| 729 | K | A | -1.1189 | |
| 730 | T | A | -0.5407 | |
| 731 | G | A | -0.2257 | |
| 732 | M | A | 0.2418 | |
| 733 | A | A | -0.3675 | |
| 734 | E | A | -1.8740 | |
| 735 | T | A | 0.0000 | |
| 736 | T | A | -1.2226 | |
| 737 | F | A | 0.0000 | |
| 738 | D | A | -1.1978 | |
| 739 | R | A | -0.8140 | |
| 740 | V | A | 0.0000 | |
| 741 | A | A | 0.0000 | |
| 742 | T | A | -0.3995 | |
| 743 | T | A | -0.2193 | |
| 744 | V | A | 0.0000 | |
| 745 | S | A | 0.3733 | |
| 746 | S | A | 0.3112 | |
| 747 | I | A | 0.0000 | |
| 748 | C | A | 0.0000 | |
| 749 | L | A | 1.2217 | |
| 750 | T | A | 0.2550 | |
| 751 | N | A | -0.2298 | |
| 752 | G | A | -0.2402 | |
| 753 | E | A | -0.1224 | |
| 754 | A | A | 0.3197 | |
| 755 | F | A | 0.9225 | |
| 756 | P | A | 0.2128 | |
| 757 | G | A | -0.0291 | |
| 758 | W | A | -0.7574 | |
| 759 | D | A | -2.0773 | |
| 760 | I | A | -0.4054 | |
| 761 | L | A | 0.0000 | |
| 762 | L | A | -1.7980 | |
| 763 | K | A | -2.2588 | |
| 764 | I | A | -1.2986 | |
| 765 | G | A | 0.0000 | |
| 766 | C | A | -1.7492 | |
| 767 | D | A | -2.7447 | |
| 768 | L | A | 0.0000 | |
| 769 | G | A | 0.0000 | |
| 770 | E | A | -2.5822 | |
| 771 | C | A | -1.4605 | |
| 772 | R | A | -2.3661 | |
| 773 | I | A | 0.0000 | |
| 774 | I | A | 0.0000 | |
| 775 | L | A | -0.8614 | |
| 776 | C | A | -1.5135 | |
| 777 | E | A | -1.5801 | |
| 778 | P | A | -1.5433 | |
| 779 | G | A | -2.0355 | |
| 780 | E | A | -3.2352 | |
| 781 | K | A | -3.5371 | |
| 782 | H | A | -2.6932 | |
| 783 | R | A | -2.4558 | |
| 784 | L | A | -0.6019 | |
| 785 | Q | A | -1.6992 | |
| 786 | K | A | -1.9363 | |
| 787 | L | A | 0.0000 | |
| 788 | Q | A | -1.3769 | |
| 789 | L | A | 0.0000 | |
| 790 | N | A | -1.0594 | |
| 791 | F | A | -0.7981 | |
| 792 | P | A | -1.0149 | |
| 793 | S | A | -0.7077 | |
| 794 | D | A | -1.4807 | |
| 795 | D | A | -0.7947 | |
| 796 | V | A | 0.0000 | |
| 797 | A | A | 0.0000 | |
| 798 | F | A | 0.2806 | |
| 799 | A | A | 0.0000 | |
| 800 | L | A | 0.0000 | |
| 801 | K | A | -2.5284 | |
| 802 | D | A | -3.2269 | |
| 803 | N | A | -3.2037 | |
| 804 | K | A | -3.3864 | |
| 805 | D | A | -3.1165 | |
| 806 | L | A | 0.0000 | |
| 807 | P | A | -2.0228 | |
| 808 | W | A | -0.9866 | |
| 809 | L | A | 0.0000 | |
| 810 | A | A | -1.0984 | |
| 811 | N | A | -1.2479 | |
| 812 | Y | A | -0.4443 | |
| 813 | L | A | -0.1014 |
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 | -1.0217 | 4.9453 | View | CSV | PDB |
| 4.5 | -1.111 | 4.9083 | View | CSV | PDB |
| 5.0 | -1.2224 | 4.8591 | View | CSV | PDB |
| 5.5 | -1.3315 | 4.8086 | View | CSV | PDB |
| 6.0 | -1.4123 | 4.7705 | View | CSV | PDB |
| 6.5 | -1.4489 | 4.7588 | View | CSV | PDB |
| 7.0 | -1.4421 | 4.7774 | View | CSV | PDB |
| 7.5 | -1.4052 | 4.8166 | View | CSV | PDB |
| 8.0 | -1.3514 | 4.8649 | View | CSV | PDB |
| 8.5 | -1.2863 | 4.9165 | View | CSV | PDB |
| 9.0 | -1.2096 | 4.9689 | 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