| Chain sequence(s) |
A: MADITDKTAEQLENLNIQDDQKQAATGSESQSVENSSASLYVGDLEPSVSEAHLYDIFSPIGSVSSIRVCRDAITKTSLGYAYVNFNDHEAGRKAIEQLNYTPIKGRLCRIMWSQRDPSLRKKGSGNIFIKNLHPDIDNKALYDTFSVFGDILSSKIATDENGKSKGFGFVHFEEEGAAKEAIDALNGMLLNGQEIYVAPHLSRKERDSQLEETKAHYTNLYVKNINSETTDEQFQELFAKFGPIVSASLEKDADGKLKGFGFVNYEKHEDAVKAVEALNDSELNGEKLYVGRAQKKNERMHVLKKQYEAYRLEKMAKYQGVNLFVKNLDDSVDDEKLEEEFAPYGTITSAKVMRTENGKSKGFGFVCFSTPEEATKAITEKNQQIVAGKPLYVAIAQRKDVRRSQLAQQIQARNQMRYQQATAAAAAAAAGMPGQFMPPMFYGVMPPRGVPFNGPNPQQMNPMGGMPKNGMPPQFRNGPVYGVPPQGGFPRNANDNNQFYQQKQRQALGEQLYKKVSAKTSNEEAAGKITGMILDLPPQEVFPLLESDELFEQHYKEASAAYESFKKEQEQQTEQA
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:18)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d49613d34d23043/tmp/folded.pdb (00:17:18)
[INFO] Main: Simulation completed successfully. (00:25:05)
|
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 | 0.9636 | |
| 2 | A | A | -0.0566 | |
| 3 | D | A | -1.2222 | |
| 4 | I | A | 0.3359 | |
| 5 | T | A | -0.9775 | |
| 6 | D | A | -2.9845 | |
| 7 | K | A | -2.9511 | |
| 8 | T | A | -1.8413 | |
| 9 | A | A | -2.2197 | |
| 10 | E | A | -3.5523 | |
| 11 | Q | A | -2.5596 | |
| 12 | L | A | -0.7967 | |
| 13 | E | A | -2.3449 | |
| 14 | N | A | -1.6571 | |
| 15 | L | A | 0.3822 | |
| 16 | N | A | -0.5556 | |
| 17 | I | A | 0.4919 | |
| 18 | Q | A | -1.7671 | |
| 19 | D | A | -3.4196 | |
| 20 | D | A | -3.7031 | |
| 21 | Q | A | -3.7394 | |
| 22 | K | A | -3.4391 | |
| 23 | Q | A | -2.2665 | |
| 24 | A | A | -0.9360 | |
| 25 | A | A | -0.4835 | |
| 26 | T | A | -0.3012 | |
| 27 | G | A | -0.9824 | |
| 28 | S | A | -1.5424 | |
| 29 | E | A | -2.4726 | |
| 30 | S | A | -1.6433 | |
| 31 | Q | A | -1.7017 | |
| 32 | S | A | -0.8848 | |
| 33 | V | A | -0.0237 | |
| 34 | E | A | -1.9003 | |
| 35 | N | A | -1.8090 | |
| 36 | S | A | -1.5366 | |
| 37 | S | A | -1.4509 | |
| 38 | A | A | -1.6733 | |
| 39 | S | A | 0.0000 | |
| 40 | L | A | 0.0000 | |
| 41 | Y | A | 0.1921 | |
| 42 | V | A | 0.0000 | |
| 43 | G | A | 0.0000 | |
| 44 | D | A | -0.6080 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -1.1460 | |
| 47 | P | A | -0.7083 | |
| 48 | S | A | -0.7107 | |
| 49 | V | A | 0.0000 | |
| 50 | S | A | -0.5723 | |
| 51 | E | A | -0.8185 | |
| 52 | A | A | -0.5385 | |
| 53 | H | A | -0.8697 | |
| 54 | L | A | 0.0000 | |
| 55 | Y | A | -0.0044 | |
| 56 | D | A | -1.3513 | |
| 57 | I | A | -0.2594 | |
| 58 | F | A | 0.0000 | |
| 59 | S | A | -0.3719 | |
| 60 | P | A | -0.3819 | |
| 61 | I | A | -0.6980 | |
| 62 | G | A | -1.0601 | |
| 63 | S | A | -1.0808 | |
| 64 | V | A | 0.0000 | |
| 65 | S | A | -1.0223 | |
| 66 | S | A | -0.6162 | |
| 67 | I | A | -0.4821 | |
| 68 | R | A | -1.5645 | |
| 69 | V | A | 0.0000 | |
| 70 | C | A | -0.6013 | |
| 71 | R | A | -1.1519 | |
| 72 | D | A | -0.5949 | |
| 73 | A | A | 0.1656 | |
| 74 | I | A | 1.2336 | |
| 75 | T | A | -0.2044 | |
| 76 | K | A | -1.4524 | |
| 77 | T | A | -0.8491 | |
| 78 | S | A | -0.5482 | |
| 79 | L | A | 0.3921 | |
| 80 | G | A | 0.1187 | |
| 81 | Y | A | 0.2618 | |
| 82 | A | A | 0.0000 | |
| 83 | Y | A | 0.1947 | |
| 84 | V | A | 0.0000 | |
| 85 | N | A | -1.0786 | |
| 86 | F | A | 0.0000 | |
| 87 | N | A | -2.5100 | |
| 88 | D | A | -3.0189 | |
| 89 | H | A | -2.7086 | |
| 90 | E | A | -2.5591 | |
| 91 | A | A | 0.0000 | |
| 92 | G | A | 0.0000 | |
| 93 | R | A | -2.4126 | |
| 94 | K | A | -2.3865 | |
| 95 | A | A | 0.0000 | |
| 96 | I | A | -1.3598 | |
| 97 | E | A | -2.7236 | |
| 98 | Q | A | -2.2608 | |
| 99 | L | A | -1.0570 | |
| 100 | N | A | -1.0558 | |
| 101 | Y | A | 0.0000 | |
| 102 | T | A | -0.7078 | |
| 103 | P | A | -1.1033 | |
| 104 | I | A | 0.0000 | |
| 105 | K | A | -1.9566 | |
| 106 | G | A | -1.6702 | |
| 107 | R | A | -1.9800 | |
| 108 | L | A | -1.0782 | |
| 109 | C | A | 0.0000 | |
| 110 | R | A | -0.5627 | |
| 111 | I | A | 0.0000 | |
| 112 | M | A | 0.1771 | |
| 113 | W | A | 0.2007 | |
| 114 | S | A | -0.7207 | |
| 115 | Q | A | -1.8936 | |
| 116 | R | A | -2.9175 | |
| 117 | D | A | -3.0078 | |
| 118 | P | A | -2.6414 | |
| 119 | S | A | -2.3376 | |
| 120 | L | A | -2.1779 | |
| 121 | R | A | -3.6941 | |
| 122 | K | A | -3.6232 | |
| 123 | K | A | -3.1499 | |
| 124 | G | A | -2.3805 | |
| 125 | S | A | -2.4069 | |
| 126 | G | A | 0.0000 | |
| 127 | N | A | -1.7167 | |
| 128 | I | A | 0.0000 | |
| 129 | F | A | 0.2496 | |
| 130 | I | A | 0.0000 | |
| 131 | K | A | -1.7948 | |
| 132 | N | A | -1.8446 | |
| 133 | L | A | 0.0000 | |
| 134 | H | A | -2.1096 | |
| 135 | P | A | -2.1921 | |
| 136 | D | A | -2.6888 | |
| 137 | I | A | 0.0000 | |
| 138 | D | A | -2.2603 | |
| 139 | N | A | -1.6899 | |
| 140 | K | A | -1.9304 | |
| 141 | A | A | -1.6853 | |
| 142 | L | A | 0.0000 | |
| 143 | Y | A | -1.2328 | |
| 144 | D | A | -1.6821 | |
| 145 | T | A | -0.5345 | |
| 146 | F | A | 0.0000 | |
| 147 | S | A | -0.1675 | |
| 148 | V | A | 1.2084 | |
| 149 | F | A | -0.1804 | |
| 150 | G | A | -1.5399 | |
| 151 | D | A | -2.3710 | |
| 152 | I | A | 0.0000 | |
| 153 | L | A | -0.8384 | |
| 154 | S | A | -0.4290 | |
| 155 | S | A | 0.0000 | |
| 156 | K | A | -0.7242 | |
| 157 | I | A | 0.0000 | |
| 158 | A | A | -1.0524 | |
| 159 | T | A | -2.4815 | |
| 160 | D | A | -3.1086 | |
| 161 | E | A | -3.2262 | |
| 162 | N | A | -3.1187 | |
| 163 | G | A | -3.0957 | |
| 164 | K | A | -3.6978 | |
| 165 | S | A | -2.8403 | |
| 166 | K | A | -2.5813 | |
| 167 | G | A | -1.8443 | |
| 168 | F | A | -0.7098 | |
| 169 | G | A | 0.0000 | |
| 170 | F | A | 0.2117 | |
| 171 | V | A | 0.0000 | |
| 172 | H | A | -1.3532 | |
| 173 | F | A | 0.0000 | |
| 174 | E | A | -3.6811 | |
| 175 | E | A | -4.2088 | |
| 176 | E | A | -4.0141 | |
| 177 | G | A | -2.9147 | |
| 178 | A | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | K | A | -3.7209 | |
| 181 | E | A | -3.5257 | |
| 182 | A | A | 0.0000 | |
| 183 | I | A | -2.0534 | |
| 184 | D | A | -3.0932 | |
| 185 | A | A | -1.7564 | |
| 186 | L | A | 0.0000 | |
| 187 | N | A | -1.8120 | |
| 188 | G | A | -1.0853 | |
| 189 | M | A | -0.2501 | |
| 190 | L | A | -0.1071 | |
| 191 | L | A | -0.6984 | |
| 192 | N | A | -1.8046 | |
| 193 | G | A | -1.1906 | |
| 194 | Q | A | -1.4419 | |
| 195 | E | A | -2.1212 | |
| 196 | I | A | 0.0000 | |
| 197 | Y | A | -0.4430 | |
| 198 | V | A | 0.0000 | |
| 199 | A | A | -0.6156 | |
| 200 | P | A | -0.6968 | |
| 201 | H | A | -0.6881 | |
| 202 | L | A | -1.5423 | |
| 203 | S | A | -2.6530 | |
| 204 | R | A | -4.0184 | |
| 205 | K | A | -4.0499 | |
| 206 | E | A | -3.7512 | |
| 207 | R | A | -4.2764 | |
| 208 | D | A | -4.4072 | |
| 209 | S | A | -3.7418 | |
| 210 | Q | A | -3.3100 | |
| 211 | L | A | -2.1368 | |
| 212 | E | A | -3.5816 | |
| 213 | E | A | -3.5670 | |
| 214 | T | A | -2.1938 | |
| 215 | K | A | -2.3438 | |
| 216 | A | A | -1.9420 | |
| 217 | H | A | -2.3122 | |
| 218 | Y | A | -1.7815 | |
| 219 | T | A | -1.4688 | |
| 220 | N | A | -0.9643 | |
| 221 | L | A | 0.0000 | |
| 222 | Y | A | 0.2436 | |
| 223 | V | A | 0.0000 | |
| 224 | K | A | -0.8852 | |
| 225 | N | A | -1.5223 | |
| 226 | I | A | 0.0000 | |
| 227 | N | A | -1.8589 | |
| 228 | S | A | -1.9894 | |
| 229 | E | A | -2.4785 | |
| 230 | T | A | 0.0000 | |
| 231 | T | A | -2.1988 | |
| 232 | D | A | -2.7583 | |
| 233 | E | A | -3.5652 | |
| 234 | Q | A | -3.2348 | |
| 235 | F | A | 0.0000 | |
| 236 | Q | A | -3.3555 | |
| 237 | E | A | -3.5678 | |
| 238 | L | A | -1.9962 | |
| 239 | F | A | 0.0000 | |
| 240 | A | A | -1.5053 | |
| 241 | K | A | -2.2091 | |
| 242 | F | A | -1.2379 | |
| 243 | G | A | -1.2596 | |
| 244 | P | A | -0.5894 | |
| 245 | I | A | -0.1065 | |
| 246 | V | A | 0.9746 | |
| 247 | S | A | 0.2215 | |
| 248 | A | A | -0.5899 | |
| 249 | S | A | -0.9590 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -2.2277 | |
| 252 | K | A | -3.4399 | |
| 253 | D | A | -3.0884 | |
| 254 | A | A | -2.0141 | |
| 255 | D | A | -2.9090 | |
| 256 | G | A | -2.9879 | |
| 257 | K | A | -3.7085 | |
| 258 | L | A | -2.9796 | |
| 259 | K | A | -2.8719 | |
| 260 | G | A | -1.8805 | |
| 261 | F | A | -0.7055 | |
| 262 | G | A | 0.0000 | |
| 263 | F | A | 0.2102 | |
| 264 | V | A | 0.0000 | |
| 265 | N | A | -0.5127 | |
| 266 | Y | A | 0.0000 | |
| 267 | E | A | -2.2915 | |
| 268 | K | A | -2.6867 | |
| 269 | H | A | -2.5054 | |
| 270 | E | A | -2.8263 | |
| 271 | D | A | -2.3751 | |
| 272 | A | A | 0.0000 | |
| 273 | V | A | -1.6126 | |
| 274 | K | A | -2.3739 | |
| 275 | A | A | 0.0000 | |
| 276 | V | A | -1.4757 | |
| 277 | E | A | -2.5255 | |
| 278 | A | A | -1.5410 | |
| 279 | L | A | 0.0000 | |
| 280 | N | A | -2.4508 | |
| 281 | D | A | -2.9703 | |
| 282 | S | A | -2.4922 | |
| 283 | E | A | -3.1500 | |
| 284 | L | A | -1.9298 | |
| 285 | N | A | -2.0758 | |
| 286 | G | A | -2.0055 | |
| 287 | E | A | -2.7180 | |
| 288 | K | A | -2.9635 | |
| 289 | L | A | 0.0000 | |
| 290 | Y | A | -0.4583 | |
| 291 | V | A | 0.0000 | |
| 292 | G | A | -0.4090 | |
| 293 | R | A | -0.9041 | |
| 294 | A | A | -1.1580 | |
| 295 | Q | A | -2.1411 | |
| 296 | K | A | -3.3094 | |
| 297 | K | A | -3.4384 | |
| 298 | N | A | -2.9236 | |
| 299 | E | A | -2.3834 | |
| 300 | R | A | -2.4130 | |
| 301 | M | A | -1.9922 | |
| 302 | H | A | -2.1126 | |
| 303 | V | A | -1.2298 | |
| 304 | L | A | -1.3021 | |
| 305 | K | A | -2.7189 | |
| 306 | K | A | -3.1598 | |
| 307 | Q | A | -1.9661 | |
| 308 | Y | A | -1.4337 | |
| 309 | E | A | -2.7758 | |
| 310 | A | A | -1.7015 | |
| 311 | Y | A | -1.1338 | |
| 312 | R | A | -2.0724 | |
| 313 | L | A | -0.6713 | |
| 314 | E | A | -2.1412 | |
| 315 | K | A | -2.3195 | |
| 316 | M | A | -1.2569 | |
| 317 | A | A | -1.5320 | |
| 318 | K | A | -2.5314 | |
| 319 | Y | A | -1.3947 | |
| 320 | Q | A | -1.5867 | |
| 321 | G | A | -1.0290 | |
| 322 | V | A | 0.0000 | |
| 323 | N | A | -0.2542 | |
| 324 | L | A | 0.0000 | |
| 325 | F | A | 0.5323 | |
| 326 | V | A | 0.0000 | |
| 327 | K | A | -1.3535 | |
| 328 | N | A | -1.5365 | |
| 329 | L | A | 0.0000 | |
| 330 | D | A | -2.2062 | |
| 331 | D | A | -2.9419 | |
| 332 | S | A | -1.6771 | |
| 333 | V | A | 0.0000 | |
| 334 | D | A | -2.8022 | |
| 335 | D | A | -2.7577 | |
| 336 | E | A | -3.7462 | |
| 337 | K | A | -3.2795 | |
| 338 | L | A | 0.0000 | |
| 339 | E | A | -3.5524 | |
| 340 | E | A | -3.5222 | |
| 341 | E | A | -2.2103 | |
| 342 | F | A | 0.0000 | |
| 343 | A | A | -1.2272 | |
| 344 | P | A | -0.9184 | |
| 345 | Y | A | -0.9365 | |
| 346 | G | A | -0.6834 | |
| 347 | T | A | -0.2644 | |
| 348 | I | A | -0.4222 | |
| 349 | T | A | -0.2707 | |
| 350 | S | A | -0.6533 | |
| 351 | A | A | -1.7147 | |
| 352 | K | A | -1.8973 | |
| 353 | V | A | 0.0000 | |
| 354 | M | A | -1.5154 | |
| 355 | R | A | -3.0088 | |
| 356 | T | A | -2.7493 | |
| 357 | E | A | -3.0213 | |
| 358 | N | A | -2.9523 | |
| 359 | G | A | -2.7363 | |
| 360 | K | A | -3.5963 | |
| 361 | S | A | 0.0000 | |
| 362 | K | A | -2.8287 | |
| 363 | G | A | -2.1622 | |
| 364 | F | A | -0.9924 | |
| 365 | G | A | 0.0000 | |
| 366 | F | A | 0.1727 | |
| 367 | V | A | 0.0000 | |
| 368 | C | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | S | A | -0.7123 | |
| 371 | T | A | -1.0103 | |
| 372 | P | A | -1.5139 | |
| 373 | E | A | -2.4640 | |
| 374 | E | A | -1.7403 | |
| 375 | A | A | 0.0000 | |
| 376 | T | A | -1.5277 | |
| 377 | K | A | -2.5312 | |
| 378 | A | A | 0.0000 | |
| 379 | I | A | -0.8107 | |
| 380 | T | A | -1.3485 | |
| 381 | E | A | -2.5688 | |
| 382 | K | A | 0.0000 | |
| 383 | N | A | -1.5092 | |
| 384 | Q | A | -1.5613 | |
| 385 | Q | A | -1.0024 | |
| 386 | I | A | 0.7573 | |
| 387 | V | A | 0.0000 | |
| 388 | A | A | -0.4559 | |
| 389 | G | A | -0.5190 | |
| 390 | K | A | -1.1783 | |
| 391 | P | A | -0.7833 | |
| 392 | L | A | 0.0000 | |
| 393 | Y | A | -0.2795 | |
| 394 | V | A | 0.0000 | |
| 395 | A | A | 0.5947 | |
| 396 | I | A | 0.8779 | |
| 397 | A | A | -0.5508 | |
| 398 | Q | A | -2.5536 | |
| 399 | R | A | -3.1635 | |
| 400 | K | A | -4.0633 | |
| 401 | D | A | -3.3722 | |
| 402 | V | A | -2.5204 | |
| 403 | R | A | -4.2718 | |
| 404 | R | A | -4.0646 | |
| 405 | S | A | -2.6360 | |
| 406 | Q | A | -2.7255 | |
| 407 | L | A | -1.4664 | |
| 408 | A | A | -1.4378 | |
| 409 | Q | A | -2.4124 | |
| 410 | Q | A | -1.6247 | |
| 411 | I | A | -0.3351 | |
| 412 | Q | A | -1.5908 | |
| 413 | A | A | -1.3200 | |
| 414 | R | A | -2.3045 | |
| 415 | N | A | -1.8956 | |
| 416 | Q | A | -1.3210 | |
| 417 | M | A | -1.0942 | |
| 418 | R | A | -2.3386 | |
| 419 | Y | A | -0.7006 | |
| 420 | Q | A | -1.6864 | |
| 421 | Q | A | -1.7718 | |
| 422 | A | A | -0.7772 | |
| 423 | T | A | -0.5189 | |
| 424 | A | A | -0.6321 | |
| 425 | A | A | -0.2701 | |
| 426 | A | A | -0.1259 | |
| 427 | A | A | 0.1160 | |
| 428 | A | A | 0.2384 | |
| 429 | A | A | 0.1647 | |
| 430 | A | A | 0.2039 | |
| 431 | A | A | 0.2096 | |
| 432 | G | A | -0.0108 | |
| 433 | M | A | 0.4785 | |
| 434 | P | A | -0.1295 | |
| 435 | G | A | -0.1936 | |
| 436 | Q | A | -0.1181 | |
| 437 | F | A | 1.6169 | |
| 438 | M | A | 1.6281 | |
| 439 | P | A | 1.2357 | |
| 440 | P | A | 1.4520 | |
| 441 | M | A | 2.3578 | |
| 442 | F | A | 3.1061 | |
| 443 | Y | A | 2.8739 | |
| 444 | G | A | 2.0035 | |
| 445 | V | A | 2.5264 | |
| 446 | M | A | 1.5698 | |
| 447 | P | A | -0.0450 | |
| 448 | P | A | -0.7256 | |
| 449 | R | A | -1.7668 | |
| 450 | G | A | -0.4133 | |
| 451 | V | A | 1.3962 | |
| 452 | P | A | 1.0227 | |
| 453 | F | A | 1.4993 | |
| 454 | N | A | -0.6170 | |
| 455 | G | A | -1.1355 | |
| 456 | P | A | -1.3892 | |
| 457 | N | A | -2.0117 | |
| 458 | P | A | -1.8038 | |
| 459 | Q | A | -2.1235 | |
| 460 | Q | A | -1.6857 | |
| 461 | M | A | -0.4787 | |
| 462 | N | A | -1.1104 | |
| 463 | P | A | -0.4101 | |
| 464 | M | A | 0.3344 | |
| 465 | G | A | 0.0649 | |
| 466 | G | A | -0.0238 | |
| 467 | M | A | 0.2371 | |
| 468 | P | A | -0.8735 | |
| 469 | K | A | -2.3342 | |
| 470 | N | A | -2.1841 | |
| 471 | G | A | -0.9956 | |
| 472 | M | A | 0.3855 | |
| 473 | P | A | -0.2392 | |
| 474 | P | A | -0.3794 | |
| 475 | Q | A | -0.8256 | |
| 476 | F | A | 0.0818 | |
| 477 | R | A | -1.7996 | |
| 478 | N | A | -2.0680 | |
| 479 | G | A | -1.2881 | |
| 480 | P | A | 0.3602 | |
| 481 | V | A | 2.0899 | |
| 482 | Y | A | 2.3053 | |
| 483 | G | A | 1.3490 | |
| 484 | V | A | 1.5336 | |
| 485 | P | A | 0.1633 | |
| 486 | P | A | -0.6766 | |
| 487 | Q | A | -1.3120 | |
| 488 | G | A | -0.8889 | |
| 489 | G | A | -0.3994 | |
| 490 | F | A | 0.8217 | |
| 491 | P | A | -0.4870 | |
| 492 | R | A | -1.9918 | |
| 493 | N | A | -1.9169 | |
| 494 | A | A | -2.0611 | |
| 495 | N | A | -3.1286 | |
| 496 | D | A | -2.9610 | |
| 497 | N | A | -2.3579 | |
| 498 | N | A | -2.4691 | |
| 499 | Q | A | -2.1169 | |
| 500 | F | A | -0.0682 | |
| 501 | Y | A | -0.5264 | |
| 502 | Q | A | -1.8039 | |
| 503 | Q | A | -2.3775 | |
| 504 | K | A | -2.5248 | |
| 505 | Q | A | -2.1259 | |
| 506 | R | A | -2.6738 | |
| 507 | Q | A | -3.0710 | |
| 508 | A | A | -2.3716 | |
| 509 | L | A | 0.0000 | |
| 510 | G | A | 0.0000 | |
| 511 | E | A | -2.7827 | |
| 512 | Q | A | -2.0755 | |
| 513 | L | A | 0.0000 | |
| 514 | Y | A | -1.7245 | |
| 515 | K | A | -2.3665 | |
| 516 | K | A | -1.9198 | |
| 517 | V | A | 0.0000 | |
| 518 | S | A | -1.8846 | |
| 519 | A | A | -1.1782 | |
| 520 | K | A | -1.9081 | |
| 521 | T | A | -1.7240 | |
| 522 | S | A | -1.6923 | |
| 523 | N | A | -2.7056 | |
| 524 | E | A | -3.4042 | |
| 525 | E | A | -3.4383 | |
| 526 | A | A | 0.0000 | |
| 527 | A | A | 0.0000 | |
| 528 | G | A | -2.0355 | |
| 529 | K | A | -2.0518 | |
| 530 | I | A | 0.0000 | |
| 531 | T | A | 0.0000 | |
| 532 | G | A | -0.9090 | |
| 533 | M | A | -0.9255 | |
| 534 | I | A | 0.0000 | |
| 535 | L | A | -1.0172 | |
| 536 | D | A | -1.6995 | |
| 537 | L | A | -0.8928 | |
| 538 | P | A | -0.8400 | |
| 539 | P | A | -1.0148 | |
| 540 | Q | A | -1.1655 | |
| 541 | E | A | -0.8951 | |
| 542 | V | A | 0.0000 | |
| 543 | F | A | 0.3805 | |
| 544 | P | A | -0.7499 | |
| 545 | L | A | 0.0000 | |
| 546 | L | A | -0.7766 | |
| 547 | E | A | -2.0469 | |
| 548 | S | A | -2.1537 | |
| 549 | D | A | -3.3598 | |
| 550 | E | A | -3.2700 | |
| 551 | L | A | -1.9657 | |
| 552 | F | A | 0.0000 | |
| 553 | E | A | -3.1998 | |
| 554 | Q | A | -2.9829 | |
| 555 | H | A | -2.0737 | |
| 556 | Y | A | -2.2717 | |
| 557 | K | A | -3.0853 | |
| 558 | E | A | -2.9583 | |
| 559 | A | A | 0.0000 | |
| 560 | S | A | -1.7153 | |
| 561 | A | A | -1.5138 | |
| 562 | A | A | -1.0195 | |
| 563 | Y | A | -1.5008 | |
| 564 | E | A | -2.3631 | |
| 565 | S | A | -1.8212 | |
| 566 | F | A | -1.1205 | |
| 567 | K | A | -3.1191 | |
| 568 | K | A | -4.4164 | |
| 569 | E | A | -4.4913 | |
| 570 | Q | A | -4.6069 | |
| 571 | E | A | -5.1328 | |
| 572 | Q | A | -5.1318 | |
| 573 | Q | A | -4.5230 | |
| 574 | T | A | -3.6362 | |
| 575 | E | A | -3.8157 | |
| 576 | Q | A | -3.0068 | |
| 577 | A | A | -1.5438 |
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 | -0.9435 | 6.4199 | View | CSV | PDB |
| 4.5 | -1.0447 | 6.4199 | View | CSV | PDB |
| 5.0 | -1.1743 | 6.4199 | View | CSV | PDB |
| 5.5 | -1.3078 | 6.4199 | View | CSV | PDB |
| 6.0 | -1.4162 | 6.4199 | View | CSV | PDB |
| 6.5 | -1.4761 | 6.4199 | View | CSV | PDB |
| 7.0 | -1.4819 | 6.4199 | View | CSV | PDB |
| 7.5 | -1.4474 | 6.4198 | View | CSV | PDB |
| 8.0 | -1.3898 | 6.4196 | View | CSV | PDB |
| 8.5 | -1.3178 | 6.4189 | View | CSV | PDB |
| 9.0 | -1.2333 | 6.4166 | 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