| Chain sequence(s) |
A: MIIYPSQLSKMQTNCLHNTHFSSSSEHNSLLLQEINRKKKKENNMVDVGVEFLLENLKQLVLDNVELIGGAKDEIENLRDDLSEFNAFLKQAAMVRSENPVLKELVRSIRKVVNRAEDAVDKFVIEAKVHKDKGFKGVFDKPGHYRRVRDAAVEIKGIRDKMREIRQNKAHGLQALLQDHDDSISRGGEERQPPVVEEDDVVGFDDEAQTVIDRLLEGSGDLEVIPVVGMPGLGKTTLATKIFKHPKIEYEFFTRLWLYVSQSYKTRELYLNIISKFTGNTKHCRDMSEKDLALKVQEILEEGGKYLIVLDDVWSTDAWDRIKIAFPKNDKGNRVLLTTRDHRVARYCNRSPHDLKFLTDEESWILLEKRAFHKAKCLPELETNGKSIARKCKGLPLAIVVIAGALIGKSKTIKEWEQVDQSVGEHFINRDQPNSCDKLVRMSYDVLPYDWKACFLYFGTFPRGYLIPARKLIRLWIAEGFIQYRGDLSPECKAEEYLNELVNRNLVMVMQRTVDGQIKTCRVHDMLYEFCWQEATTEENLFHEVKFGGEQSVREVSTHRRLCIHSSVVEFISKKPSGEHVRSFLCFSPEKIDTPPTVSANISKAFPLLRVFDTESIKINRFCKEFFQLYHLRYIAFSFDSIKVIPKHVGELWNVQTLIVNTQQINLDIQADILNMPRLRHLLTNTSAKLPALANPKTSKTTLVNQSLQTLSTIAPESCTEYVLSRAPNLKKLGIRGKIAKLMEPSQSVLLNNVKRLQFLENLKLINVGQIDQTQLRLPPASIFPTKLRKLTLLDTWLEWDDMSVLKQLENLQVLKLKDNAFKGENWELNDGGFPFLQVLCIERANLVSWNASGDHFPRLKHLHISCDKLEKIPIGLADICSLQVMDLRNSTKSAAKSAREIQAKKNKLQPAKSQKFELSVFPPDSDVQTAS
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:23:49)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cd04b98db1e4cd/tmp/folded.pdb (00:23:49)
[INFO] Main: Simulation completed successfully. (00:28:26)
|
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 | 2.7897 | |
| 2 | I | A | 3.9701 | |
| 3 | I | A | 3.9373 | |
| 4 | Y | A | 2.6701 | |
| 5 | P | A | 0.7262 | |
| 6 | S | A | -0.3335 | |
| 7 | Q | A | -0.7730 | |
| 8 | L | A | 0.4177 | |
| 9 | S | A | -0.3964 | |
| 10 | K | A | -1.2773 | |
| 11 | M | A | -0.4069 | |
| 12 | Q | A | -1.3138 | |
| 13 | T | A | -0.8671 | |
| 14 | N | A | -0.8977 | |
| 15 | C | A | 0.6360 | |
| 16 | L | A | 0.8601 | |
| 17 | H | A | -0.6652 | |
| 18 | N | A | -1.4323 | |
| 19 | T | A | -0.8399 | |
| 20 | H | A | -0.4338 | |
| 21 | F | A | 1.0378 | |
| 22 | S | A | 0.0479 | |
| 23 | S | A | -0.7575 | |
| 24 | S | A | -1.3239 | |
| 25 | S | A | -1.8763 | |
| 26 | E | A | -2.6086 | |
| 27 | H | A | -2.0526 | |
| 28 | N | A | -1.8311 | |
| 29 | S | A | -0.8836 | |
| 30 | L | A | -0.1905 | |
| 31 | L | A | 0.1911 | |
| 32 | L | A | 0.6923 | |
| 33 | Q | A | -1.4673 | |
| 34 | E | A | -2.0386 | |
| 35 | I | A | -0.4951 | |
| 36 | N | A | -2.7369 | |
| 37 | R | A | -4.1117 | |
| 38 | K | A | -5.0215 | |
| 39 | K | A | -4.6918 | |
| 40 | K | A | -5.0980 | |
| 41 | K | A | -4.3121 | |
| 42 | E | A | -3.8584 | |
| 43 | N | A | -2.9166 | |
| 44 | N | A | -1.6159 | |
| 45 | M | A | -0.4838 | |
| 46 | V | A | 0.0000 | |
| 47 | D | A | 0.0000 | |
| 48 | V | A | 0.0369 | |
| 49 | G | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | E | A | -0.5826 | |
| 52 | F | A | 0.0000 | |
| 53 | L | A | -0.4863 | |
| 54 | L | A | 0.0000 | |
| 55 | E | A | -1.6701 | |
| 56 | N | A | -1.0498 | |
| 57 | L | A | 0.0000 | |
| 58 | K | A | -1.3406 | |
| 59 | Q | A | -1.0233 | |
| 60 | L | A | -0.5046 | |
| 61 | V | A | 0.0000 | |
| 62 | L | A | -0.2313 | |
| 63 | D | A | -1.0919 | |
| 64 | N | A | 0.0000 | |
| 65 | V | A | -0.8144 | |
| 66 | E | A | -1.8872 | |
| 67 | L | A | -1.3340 | |
| 68 | I | A | 0.0000 | |
| 69 | G | A | -1.5864 | |
| 70 | G | A | -1.3034 | |
| 71 | A | A | 0.0000 | |
| 72 | K | A | -2.5038 | |
| 73 | D | A | -3.0987 | |
| 74 | E | A | -2.4238 | |
| 75 | I | A | 0.0000 | |
| 76 | E | A | -2.6364 | |
| 77 | N | A | -2.7129 | |
| 78 | L | A | 0.0000 | |
| 79 | R | A | -2.4702 | |
| 80 | D | A | -3.0636 | |
| 81 | D | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | S | A | -2.0665 | |
| 84 | E | A | -2.4024 | |
| 85 | F | A | 0.0000 | |
| 86 | N | A | -1.3471 | |
| 87 | A | A | -1.1253 | |
| 88 | F | A | -1.0823 | |
| 89 | L | A | 0.0000 | |
| 90 | K | A | -2.3129 | |
| 91 | Q | A | -1.6167 | |
| 92 | A | A | -0.7018 | |
| 93 | A | A | 0.0000 | |
| 94 | M | A | -0.4621 | |
| 95 | V | A | -0.5784 | |
| 96 | R | A | -2.0432 | |
| 97 | S | A | -1.9315 | |
| 98 | E | A | -2.6836 | |
| 99 | N | A | -2.0607 | |
| 100 | P | A | -1.0145 | |
| 101 | V | A | 0.4435 | |
| 102 | L | A | -0.7555 | |
| 103 | K | A | -2.0335 | |
| 104 | E | A | -1.8702 | |
| 105 | L | A | -0.8729 | |
| 106 | V | A | 0.0000 | |
| 107 | R | A | -2.1747 | |
| 108 | S | A | -1.4259 | |
| 109 | I | A | 0.0000 | |
| 110 | R | A | -1.7589 | |
| 111 | K | A | -2.4393 | |
| 112 | V | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | N | A | -1.6772 | |
| 115 | R | A | -2.4050 | |
| 116 | A | A | 0.0000 | |
| 117 | E | A | 0.0000 | |
| 118 | D | A | 0.0000 | |
| 119 | A | A | -1.7159 | |
| 120 | V | A | 0.0000 | |
| 121 | D | A | 0.0000 | |
| 122 | K | A | -1.4162 | |
| 123 | F | A | 0.0000 | |
| 124 | V | A | 0.0000 | |
| 125 | I | A | -0.7171 | |
| 126 | E | A | -1.4700 | |
| 127 | A | A | -1.8394 | |
| 128 | K | A | -1.6318 | |
| 129 | V | A | -1.8712 | |
| 130 | H | A | -2.3729 | |
| 131 | K | A | -3.1623 | |
| 132 | D | A | -3.3248 | |
| 133 | K | A | -2.4001 | |
| 134 | G | A | -1.5056 | |
| 135 | F | A | 0.0696 | |
| 136 | K | A | -0.6875 | |
| 137 | G | A | 0.2506 | |
| 138 | V | A | 1.5450 | |
| 139 | F | A | 1.4639 | |
| 140 | D | A | -0.9226 | |
| 141 | K | A | -1.7968 | |
| 142 | P | A | -1.6222 | |
| 143 | G | A | 0.0000 | |
| 144 | H | A | -2.9027 | |
| 145 | Y | A | -2.5925 | |
| 146 | R | A | -3.9238 | |
| 147 | R | A | -3.8164 | |
| 148 | V | A | 0.0000 | |
| 149 | R | A | -3.5592 | |
| 150 | D | A | -3.5809 | |
| 151 | A | A | -2.4947 | |
| 152 | A | A | -1.7167 | |
| 153 | V | A | -0.7010 | |
| 154 | E | A | -1.7508 | |
| 155 | I | A | 0.0000 | |
| 156 | K | A | -1.4683 | |
| 157 | G | A | -1.4362 | |
| 158 | I | A | -1.6551 | |
| 159 | R | A | -2.4082 | |
| 160 | D | A | -3.4305 | |
| 161 | K | A | -3.5629 | |
| 162 | M | A | 0.0000 | |
| 163 | R | A | -4.4954 | |
| 164 | E | A | -4.7499 | |
| 165 | I | A | -3.0720 | |
| 166 | R | A | -4.6976 | |
| 167 | Q | A | -4.2432 | |
| 168 | N | A | -3.9606 | |
| 169 | K | A | -3.6657 | |
| 170 | A | A | -2.6046 | |
| 171 | H | A | -2.4882 | |
| 172 | G | A | -1.4049 | |
| 173 | L | A | -0.0624 | |
| 174 | Q | A | -0.6106 | |
| 175 | A | A | 0.3080 | |
| 176 | L | A | 1.2792 | |
| 177 | L | A | 0.8893 | |
| 178 | Q | A | -1.2567 | |
| 179 | D | A | -2.6777 | |
| 180 | H | A | -3.1972 | |
| 181 | D | A | -3.7927 | |
| 182 | D | A | -2.8309 | |
| 183 | S | A | -1.4241 | |
| 184 | I | A | 0.8580 | |
| 185 | S | A | -0.3489 | |
| 186 | R | A | -2.0833 | |
| 187 | G | A | -2.0827 | |
| 188 | G | A | -2.7502 | |
| 189 | E | A | -3.8917 | |
| 190 | E | A | -4.0863 | |
| 191 | R | A | -3.9234 | |
| 192 | Q | A | -2.6361 | |
| 193 | P | A | -1.1063 | |
| 194 | P | A | -0.1255 | |
| 195 | V | A | 1.1609 | |
| 196 | V | A | 0.6467 | |
| 197 | E | A | -0.8843 | |
| 198 | E | A | -2.3741 | |
| 199 | D | A | -2.3237 | |
| 200 | D | A | -1.6370 | |
| 201 | V | A | -0.9876 | |
| 202 | V | A | -0.4817 | |
| 203 | G | A | -1.1609 | |
| 204 | F | A | 0.0000 | |
| 205 | D | A | -2.9539 | |
| 206 | D | A | -3.0226 | |
| 207 | E | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | Q | A | -2.7877 | |
| 210 | T | A | -1.9716 | |
| 211 | V | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | D | A | -2.9108 | |
| 214 | R | A | -2.2554 | |
| 215 | L | A | 0.0000 | |
| 216 | L | A | -1.6894 | |
| 217 | E | A | -2.6328 | |
| 218 | G | A | -2.0650 | |
| 219 | S | A | -1.8012 | |
| 220 | G | A | -2.6209 | |
| 221 | D | A | -2.9882 | |
| 222 | L | A | -2.0112 | |
| 223 | E | A | -1.4118 | |
| 224 | V | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | M | A | -0.6729 | |
| 231 | P | A | -0.1956 | |
| 232 | G | A | -0.1213 | |
| 233 | L | A | 0.0000 | |
| 234 | G | A | -0.1741 | |
| 235 | K | A | 0.0000 | |
| 236 | T | A | -0.1919 | |
| 237 | T | A | -0.4246 | |
| 238 | L | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | T | A | -1.0378 | |
| 241 | K | A | -2.1516 | |
| 242 | I | A | 0.0000 | |
| 243 | F | A | -1.2216 | |
| 244 | K | A | -2.3017 | |
| 245 | H | A | -1.8763 | |
| 246 | P | A | -1.4525 | |
| 247 | K | A | -1.7176 | |
| 248 | I | A | 0.0000 | |
| 249 | E | A | -0.9553 | |
| 250 | Y | A | 0.2320 | |
| 251 | E | A | -0.3541 | |
| 252 | F | A | 0.0000 | |
| 253 | F | A | 0.7463 | |
| 254 | T | A | -0.0361 | |
| 255 | R | A | -0.6888 | |
| 256 | L | A | 0.0000 | |
| 257 | W | A | 0.2121 | |
| 258 | L | A | 0.0000 | |
| 259 | Y | A | 0.6022 | |
| 260 | V | A | 0.0000 | |
| 261 | S | A | -0.6539 | |
| 262 | Q | A | -1.3527 | |
| 263 | S | A | -0.9819 | |
| 264 | Y | A | -0.7463 | |
| 265 | K | A | -1.3735 | |
| 266 | T | A | 0.0000 | |
| 267 | R | A | -1.6517 | |
| 268 | E | A | -1.4186 | |
| 269 | L | A | 0.0000 | |
| 270 | Y | A | 0.0000 | |
| 271 | L | A | -1.1126 | |
| 272 | N | A | -1.0154 | |
| 273 | I | A | 0.0000 | |
| 274 | I | A | 0.0000 | |
| 275 | S | A | -1.4271 | |
| 276 | K | A | -1.8392 | |
| 277 | F | A | -0.5483 | |
| 278 | T | A | -0.7253 | |
| 279 | G | A | -1.4674 | |
| 280 | N | A | -1.9033 | |
| 281 | T | A | -2.2198 | |
| 282 | K | A | -3.2407 | |
| 283 | H | A | -2.8136 | |
| 284 | C | A | 0.0000 | |
| 285 | R | A | -3.4214 | |
| 286 | D | A | -3.2318 | |
| 287 | M | A | -2.2559 | |
| 288 | S | A | -1.9962 | |
| 289 | E | A | -2.6554 | |
| 290 | K | A | -2.3696 | |
| 291 | D | A | -1.9573 | |
| 292 | L | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | L | A | -0.2805 | |
| 295 | K | A | -1.3354 | |
| 296 | V | A | 0.0000 | |
| 297 | Q | A | -1.6277 | |
| 298 | E | A | -2.7501 | |
| 299 | I | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | E | A | -3.3626 | |
| 302 | E | A | -3.0931 | |
| 303 | G | A | -1.9720 | |
| 304 | G | A | -1.3088 | |
| 305 | K | A | -1.4120 | |
| 306 | Y | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | I | A | 0.0000 | |
| 309 | V | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | D | A | 0.0000 | |
| 312 | D | A | -0.3985 | |
| 313 | V | A | 0.0000 | |
| 314 | W | A | -0.6569 | |
| 315 | S | A | -0.9756 | |
| 316 | T | A | -1.3913 | |
| 317 | D | A | -2.2585 | |
| 318 | A | A | 0.0000 | |
| 319 | W | A | 0.0000 | |
| 320 | D | A | -1.5950 | |
| 321 | R | A | -2.2473 | |
| 322 | I | A | 0.0000 | |
| 323 | K | A | -0.9113 | |
| 324 | I | A | 0.6026 | |
| 325 | A | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | P | A | 0.0000 | |
| 328 | K | A | -2.7177 | |
| 329 | N | A | -2.7559 | |
| 330 | D | A | -3.2379 | |
| 331 | K | A | -2.6347 | |
| 332 | G | A | 0.0000 | |
| 333 | N | A | 0.0000 | |
| 334 | R | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | T | A | 0.0000 | |
| 339 | T | A | 0.0000 | |
| 340 | R | A | -0.9345 | |
| 341 | D | A | -1.6450 | |
| 342 | H | A | -2.3862 | |
| 343 | R | A | -2.5937 | |
| 344 | V | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | R | A | -2.6225 | |
| 347 | Y | A | -0.8985 | |
| 348 | C | A | -0.9973 | |
| 349 | N | A | -1.5936 | |
| 350 | R | A | -2.3210 | |
| 351 | S | A | -1.5967 | |
| 352 | P | A | -1.6937 | |
| 353 | H | A | 0.0000 | |
| 354 | D | A | -2.2792 | |
| 355 | L | A | 0.0000 | |
| 356 | K | A | -1.9003 | |
| 357 | F | A | -0.9894 | |
| 358 | L | A | 0.0000 | |
| 359 | T | A | -2.0292 | |
| 360 | D | A | -3.3660 | |
| 361 | E | A | -2.9303 | |
| 362 | E | A | -1.3382 | |
| 363 | S | A | 0.0000 | |
| 364 | W | A | 0.0000 | |
| 365 | I | A | -0.8334 | |
| 366 | L | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | E | A | 0.0000 | |
| 369 | K | A | -1.7103 | |
| 370 | R | A | -1.3230 | |
| 371 | A | A | 0.0000 | |
| 372 | F | A | 0.0000 | |
| 373 | H | A | -1.8761 | |
| 374 | K | A | -2.0873 | |
| 375 | A | A | -1.7387 | |
| 376 | K | A | -2.1482 | |
| 377 | C | A | 0.0000 | |
| 378 | L | A | -1.0223 | |
| 379 | P | A | -1.2815 | |
| 380 | E | A | -1.7009 | |
| 381 | L | A | 0.0000 | |
| 382 | E | A | -1.5826 | |
| 383 | T | A | -1.1319 | |
| 384 | N | A | -1.7813 | |
| 385 | G | A | 0.0000 | |
| 386 | K | A | -2.2482 | |
| 387 | S | A | -1.9198 | |
| 388 | I | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | R | A | -3.5788 | |
| 391 | K | A | -2.8289 | |
| 392 | C | A | 0.0000 | |
| 393 | K | A | -2.6044 | |
| 394 | G | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | P | A | -0.0967 | |
| 397 | L | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | I | A | 0.0000 | |
| 400 | V | A | -0.0309 | |
| 401 | V | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | G | A | 0.0000 | |
| 405 | A | A | 0.0000 | |
| 406 | L | A | 0.0000 | |
| 407 | I | A | -0.7134 | |
| 408 | G | A | -0.8478 | |
| 409 | K | A | -1.0318 | |
| 410 | S | A | -1.2593 | |
| 411 | K | A | -2.0195 | |
| 412 | T | A | -1.3159 | |
| 413 | I | A | -0.9905 | |
| 414 | K | A | -2.3570 | |
| 415 | E | A | -2.4084 | |
| 416 | W | A | 0.0000 | |
| 417 | E | A | -2.6980 | |
| 418 | Q | A | -2.7682 | |
| 419 | V | A | 0.0000 | |
| 420 | D | A | -2.3608 | |
| 421 | Q | A | -2.4748 | |
| 422 | S | A | -1.6517 | |
| 423 | V | A | 0.0000 | |
| 424 | G | A | -1.7165 | |
| 425 | E | A | -2.8299 | |
| 426 | H | A | -2.2750 | |
| 427 | F | A | -1.9078 | |
| 428 | I | A | -2.4201 | |
| 429 | N | A | -3.6033 | |
| 430 | R | A | -3.5499 | |
| 431 | D | A | -3.8248 | |
| 432 | Q | A | -3.4906 | |
| 433 | P | A | -2.3285 | |
| 434 | N | A | -2.2651 | |
| 435 | S | A | -2.1862 | |
| 436 | C | A | -1.3699 | |
| 437 | D | A | -1.6686 | |
| 438 | K | A | -1.8214 | |
| 439 | L | A | 0.0000 | |
| 440 | V | A | 0.0000 | |
| 441 | R | A | -2.5562 | |
| 442 | M | A | -1.3461 | |
| 443 | S | A | 0.0000 | |
| 444 | Y | A | 0.0000 | |
| 445 | D | A | -1.7538 | |
| 446 | V | A | -0.3034 | |
| 447 | L | A | 0.0000 | |
| 448 | P | A | -0.0185 | |
| 449 | Y | A | 0.1016 | |
| 450 | D | A | -0.0979 | |
| 451 | W | A | 0.0053 | |
| 452 | K | A | 0.0000 | |
| 453 | A | A | 0.0000 | |
| 454 | C | A | 0.0000 | |
| 455 | F | A | 0.0000 | |
| 456 | L | A | 0.0000 | |
| 457 | Y | A | 0.0000 | |
| 458 | F | A | 0.0000 | |
| 459 | G | A | 0.0000 | |
| 460 | T | A | 0.0000 | |
| 461 | F | A | 0.0000 | |
| 462 | P | A | -0.3064 | |
| 463 | R | A | -0.8696 | |
| 464 | G | A | -0.2957 | |
| 465 | Y | A | 0.5032 | |
| 466 | L | A | 0.5401 | |
| 467 | I | A | 0.0000 | |
| 468 | P | A | -0.5328 | |
| 469 | A | A | 0.0000 | |
| 470 | R | A | -1.4044 | |
| 471 | K | A | -0.8350 | |
| 472 | L | A | 0.0000 | |
| 473 | I | A | 0.0000 | |
| 474 | R | A | -0.6257 | |
| 475 | L | A | 0.0000 | |
| 476 | W | A | 0.0000 | |
| 477 | I | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | E | A | 0.0000 | |
| 480 | G | A | -0.1760 | |
| 481 | F | A | 0.0000 | |
| 482 | I | A | 0.0000 | |
| 483 | Q | A | -0.8062 | |
| 484 | Y | A | -0.5092 | |
| 485 | R | A | -2.0140 | |
| 486 | G | A | -1.8242 | |
| 487 | D | A | -1.9027 | |
| 488 | L | A | -0.4086 | |
| 489 | S | A | -0.3306 | |
| 490 | P | A | 0.0000 | |
| 491 | E | A | -0.6018 | |
| 492 | C | A | -0.3195 | |
| 493 | K | A | -1.0077 | |
| 494 | A | A | 0.0000 | |
| 495 | E | A | -2.0877 | |
| 496 | E | A | -2.4170 | |
| 497 | Y | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | N | A | -1.6423 | |
| 500 | E | A | -1.6751 | |
| 501 | L | A | 0.0000 | |
| 502 | V | A | 0.0000 | |
| 503 | N | A | -1.0837 | |
| 504 | R | A | -0.6320 | |
| 505 | N | A | 0.0000 | |
| 506 | L | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | M | A | 0.1025 | |
| 509 | V | A | -0.1238 | |
| 510 | M | A | -0.1041 | |
| 511 | Q | A | -1.0096 | |
| 512 | R | A | -1.2679 | |
| 513 | T | A | -1.0191 | |
| 514 | V | A | -0.4608 | |
| 515 | D | A | -1.3385 | |
| 516 | G | A | -1.0121 | |
| 517 | Q | A | -1.5945 | |
| 518 | I | A | 0.0000 | |
| 519 | K | A | -1.5404 | |
| 520 | T | A | -0.6607 | |
| 521 | C | A | 0.0000 | |
| 522 | R | A | -0.0116 | |
| 523 | V | A | 0.0000 | |
| 524 | H | A | -0.4977 | |
| 525 | D | A | -0.5986 | |
| 526 | M | A | -0.3789 | |
| 527 | L | A | 0.0000 | |
| 528 | Y | A | 0.0000 | |
| 529 | E | A | -0.7249 | |
| 530 | F | A | 0.0000 | |
| 531 | C | A | 0.0000 | |
| 532 | W | A | -0.4340 | |
| 533 | Q | A | -0.9925 | |
| 534 | E | A | -1.4355 | |
| 535 | A | A | 0.0000 | |
| 536 | T | A | -0.9987 | |
| 537 | T | A | -1.3418 | |
| 538 | E | A | -2.4521 | |
| 539 | E | A | -1.6330 | |
| 540 | N | A | -1.5737 | |
| 541 | L | A | -0.6539 | |
| 542 | F | A | 0.0000 | |
| 543 | H | A | -0.7113 | |
| 544 | E | A | -0.6761 | |
| 545 | V | A | 0.0000 | |
| 546 | K | A | -1.6804 | |
| 547 | F | A | -0.8021 | |
| 548 | G | A | -1.1194 | |
| 549 | G | A | -1.9055 | |
| 550 | E | A | -2.6954 | |
| 551 | Q | A | -2.7936 | |
| 552 | S | A | -1.9894 | |
| 553 | V | A | -1.6617 | |
| 554 | R | A | -2.4031 | |
| 555 | E | A | -1.6778 | |
| 556 | V | A | 0.0000 | |
| 557 | S | A | -1.1307 | |
| 558 | T | A | -1.2028 | |
| 559 | H | A | -0.7679 | |
| 560 | R | A | 0.0000 | |
| 561 | R | A | -0.4396 | |
| 562 | L | A | 0.0000 | |
| 563 | C | A | 0.0000 | |
| 564 | I | A | 0.0000 | |
| 565 | H | A | -0.6321 | |
| 566 | S | A | -0.7048 | |
| 567 | S | A | -0.4929 | |
| 568 | V | A | 0.0000 | |
| 569 | V | A | -0.7186 | |
| 570 | E | A | -1.6497 | |
| 571 | F | A | 0.0000 | |
| 572 | I | A | 0.0000 | |
| 573 | S | A | -1.9825 | |
| 574 | K | A | -2.7984 | |
| 575 | K | A | -2.9370 | |
| 576 | P | A | 0.0000 | |
| 577 | S | A | -1.7485 | |
| 578 | G | A | 0.0000 | |
| 579 | E | A | -1.9804 | |
| 580 | H | A | -1.4481 | |
| 581 | V | A | 0.0000 | |
| 582 | R | A | 0.0000 | |
| 583 | S | A | 0.0000 | |
| 584 | F | A | 0.0000 | |
| 585 | L | A | 0.0000 | |
| 586 | C | A | 0.0000 | |
| 587 | F | A | 0.0000 | |
| 588 | S | A | -1.0710 | |
| 589 | P | A | -1.3717 | |
| 590 | E | A | -2.2118 | |
| 591 | K | A | -2.7220 | |
| 592 | I | A | -1.7217 | |
| 593 | D | A | -2.3190 | |
| 594 | T | A | 0.0000 | |
| 595 | P | A | -0.8265 | |
| 596 | P | A | -1.0032 | |
| 597 | T | A | -0.4878 | |
| 598 | V | A | 0.0000 | |
| 599 | S | A | 0.0000 | |
| 600 | A | A | -1.0785 | |
| 601 | N | A | -1.4144 | |
| 602 | I | A | 0.0000 | |
| 603 | S | A | 0.0000 | |
| 604 | K | A | -2.4203 | |
| 605 | A | A | 0.0000 | |
| 606 | F | A | 0.0000 | |
| 607 | P | A | -1.4137 | |
| 608 | L | A | 0.0000 | |
| 609 | L | A | 0.0000 | |
| 610 | R | A | -0.2915 | |
| 611 | V | A | 0.0000 | |
| 612 | F | A | 0.0000 | |
| 613 | D | A | 0.0000 | |
| 614 | T | A | 0.0000 | |
| 615 | E | A | -1.4030 | |
| 616 | S | A | -1.6805 | |
| 617 | I | A | 0.0000 | |
| 618 | K | A | -1.9184 | |
| 619 | I | A | 0.0000 | |
| 620 | N | A | -1.8192 | |
| 621 | R | A | -1.9737 | |
| 622 | F | A | -1.0379 | |
| 623 | C | A | -1.3312 | |
| 624 | K | A | -2.2095 | |
| 625 | E | A | -1.8141 | |
| 626 | F | A | 0.0000 | |
| 627 | F | A | -1.4122 | |
| 628 | Q | A | -1.9152 | |
| 629 | L | A | 0.0000 | |
| 630 | Y | A | -0.6154 | |
| 631 | H | A | 0.0000 | |
| 632 | L | A | 0.0000 | |
| 633 | R | A | -0.3874 | |
| 634 | Y | A | 0.0000 | |
| 635 | I | A | 0.0000 | |
| 636 | A | A | 0.0000 | |
| 637 | F | A | 0.0000 | |
| 638 | S | A | 0.0000 | |
| 639 | F | A | 0.0000 | |
| 640 | D | A | -1.9063 | |
| 641 | S | A | -1.4988 | |
| 642 | I | A | -1.5190 | |
| 643 | K | A | -1.6140 | |
| 644 | V | A | -0.9729 | |
| 645 | I | A | 0.0000 | |
| 646 | P | A | -1.3944 | |
| 647 | K | A | -2.6181 | |
| 648 | H | A | -2.5947 | |
| 649 | V | A | 0.0000 | |
| 650 | G | A | -1.8668 | |
| 651 | E | A | -2.4631 | |
| 652 | L | A | 0.0000 | |
| 653 | W | A | -0.5975 | |
| 654 | N | A | 0.0000 | |
| 655 | V | A | 0.0000 | |
| 656 | Q | A | 0.0000 | |
| 657 | T | A | 0.0000 | |
| 658 | L | A | 0.0000 | |
| 659 | I | A | 0.0119 | |
| 660 | V | A | 0.0000 | |
| 661 | N | A | -0.9596 | |
| 662 | T | A | 0.0000 | |
| 663 | Q | A | -1.5594 | |
| 664 | Q | A | -0.7793 | |
| 665 | I | A | 0.9042 | |
| 666 | N | A | -0.5648 | |
| 667 | L | A | 0.0000 | |
| 668 | D | A | -1.2280 | |
| 669 | I | A | 0.0000 | |
| 670 | Q | A | -1.5364 | |
| 671 | A | A | 0.0000 | |
| 672 | D | A | -1.4191 | |
| 673 | I | A | 0.0000 | |
| 674 | L | A | 0.0000 | |
| 675 | N | A | -0.6406 | |
| 676 | M | A | 0.0000 | |
| 677 | P | A | -0.5155 | |
| 678 | R | A | -0.8840 | |
| 679 | L | A | 0.0000 | |
| 680 | R | A | -0.6826 | |
| 681 | H | A | 0.0000 | |
| 682 | L | A | 0.0000 | |
| 683 | L | A | 0.0993 | |
| 684 | T | A | 0.0000 | |
| 685 | N | A | -0.9375 | |
| 686 | T | A | 0.0000 | |
| 687 | S | A | 0.0000 | |
| 688 | A | A | 0.0000 | |
| 689 | K | A | -1.2700 | |
| 690 | L | A | 0.0000 | |
| 691 | P | A | -0.5713 | |
| 692 | A | A | -0.1106 | |
| 693 | L | A | 0.4025 | |
| 694 | A | A | -0.0426 | |
| 695 | N | A | -0.8935 | |
| 696 | P | A | -1.3135 | |
| 697 | K | A | -2.1705 | |
| 698 | T | A | -1.4523 | |
| 699 | S | A | -1.5773 | |
| 700 | K | A | -1.9820 | |
| 701 | T | A | -0.5894 | |
| 702 | T | A | 0.0307 | |
| 703 | L | A | 0.7522 | |
| 704 | V | A | 0.9273 | |
| 705 | N | A | 0.0000 | |
| 706 | Q | A | -1.0577 | |
| 707 | S | A | -0.8480 | |
| 708 | L | A | 0.0000 | |
| 709 | Q | A | -0.9937 | |
| 710 | T | A | 0.0000 | |
| 711 | L | A | 0.0000 | |
| 712 | S | A | -0.4156 | |
| 713 | T | A | 0.0000 | |
| 714 | I | A | 0.0000 | |
| 715 | A | A | 0.0000 | |
| 716 | P | A | 0.0000 | |
| 717 | E | A | -1.1778 | |
| 718 | S | A | 0.0000 | |
| 719 | C | A | 0.0000 | |
| 720 | T | A | -0.6931 | |
| 721 | E | A | -1.8178 | |
| 722 | Y | A | -0.5724 | |
| 723 | V | A | 0.0000 | |
| 724 | L | A | 0.0000 | |
| 725 | S | A | -0.8552 | |
| 726 | R | A | 0.0000 | |
| 727 | A | A | 0.0000 | |
| 728 | P | A | -0.8439 | |
| 729 | N | A | -0.9087 | |
| 730 | L | A | 0.0000 | |
| 731 | K | A | -1.6961 | |
| 732 | K | A | -1.4419 | |
| 733 | L | A | 0.0000 | |
| 734 | G | A | 0.0000 | |
| 735 | I | A | 0.0000 | |
| 736 | R | A | -0.8460 | |
| 737 | G | A | -0.8568 | |
| 738 | K | A | -1.5567 | |
| 739 | I | A | 0.0000 | |
| 740 | A | A | -1.2592 | |
| 741 | K | A | -1.1211 | |
| 742 | L | A | 0.0000 | |
| 743 | M | A | 0.0000 | |
| 744 | E | A | -1.3157 | |
| 745 | P | A | -0.9411 | |
| 746 | S | A | -0.6340 | |
| 747 | Q | A | -0.6903 | |
| 748 | S | A | -0.1620 | |
| 749 | V | A | 0.5116 | |
| 750 | L | A | -0.2359 | |
| 751 | L | A | 0.0000 | |
| 752 | N | A | -0.8697 | |
| 753 | N | A | 0.0000 | |
| 754 | V | A | 0.0000 | |
| 755 | K | A | -1.9046 | |
| 756 | R | A | -2.7696 | |
| 757 | L | A | 0.0000 | |
| 758 | Q | A | -2.0322 | |
| 759 | F | A | -0.9988 | |
| 760 | L | A | 0.0000 | |
| 761 | E | A | -1.7423 | |
| 762 | N | A | -1.3804 | |
| 763 | L | A | 0.0000 | |
| 764 | K | A | -0.8288 | |
| 765 | L | A | 0.0000 | |
| 766 | I | A | 0.0000 | |
| 767 | N | A | -0.6608 | |
| 768 | V | A | -0.1963 | |
| 769 | G | A | -1.0525 | |
| 770 | Q | A | -1.2046 | |
| 771 | I | A | -0.1450 | |
| 772 | D | A | -2.0676 | |
| 773 | Q | A | -1.9188 | |
| 774 | T | A | -1.6568 | |
| 775 | Q | A | -1.9501 | |
| 776 | L | A | -1.6445 | |
| 777 | R | A | -2.5734 | |
| 778 | L | A | 0.0000 | |
| 779 | P | A | -0.7531 | |
| 780 | P | A | -0.6829 | |
| 781 | A | A | -0.7560 | |
| 782 | S | A | -0.6055 | |
| 783 | I | A | 0.0000 | |
| 784 | F | A | 0.0000 | |
| 785 | P | A | 0.0000 | |
| 786 | T | A | -1.7954 | |
| 787 | K | A | -2.4783 | |
| 788 | L | A | 0.0000 | |
| 789 | R | A | -1.5471 | |
| 790 | K | A | -1.3242 | |
| 791 | L | A | 0.0000 | |
| 792 | T | A | -0.4673 | |
| 793 | L | A | 0.0000 | |
| 794 | L | A | -0.6480 | |
| 795 | D | A | -0.7300 | |
| 796 | T | A | 0.0000 | |
| 797 | W | A | -0.4283 | |
| 798 | L | A | 0.0000 | |
| 799 | E | A | -2.3555 | |
| 800 | W | A | 0.0000 | |
| 801 | D | A | -2.8512 | |
| 802 | D | A | -1.7297 | |
| 803 | M | A | 0.0000 | |
| 804 | S | A | -1.6308 | |
| 805 | V | A | -0.9827 | |
| 806 | L | A | 0.0000 | |
| 807 | K | A | -1.5546 | |
| 808 | Q | A | -2.0550 | |
| 809 | L | A | 0.0000 | |
| 810 | E | A | -2.5182 | |
| 811 | N | A | -1.8344 | |
| 812 | L | A | 0.0000 | |
| 813 | Q | A | -1.0170 | |
| 814 | V | A | 0.0000 | |
| 815 | L | A | 0.0000 | |
| 816 | K | A | -0.5855 | |
| 817 | L | A | 0.0000 | |
| 818 | K | A | -1.2818 | |
| 819 | D | A | -1.5548 | |
| 820 | N | A | -1.5247 | |
| 821 | A | A | 0.0000 | |
| 822 | F | A | 0.0000 | |
| 823 | K | A | -1.9663 | |
| 824 | G | A | -2.1757 | |
| 825 | E | A | -2.9312 | |
| 826 | N | A | -3.2198 | |
| 827 | W | A | 0.0000 | |
| 828 | E | A | -3.4669 | |
| 829 | L | A | 0.0000 | |
| 830 | N | A | -2.9777 | |
| 831 | D | A | -2.9338 | |
| 832 | G | A | -2.2366 | |
| 833 | G | A | -1.8268 | |
| 834 | F | A | 0.0000 | |
| 835 | P | A | -1.2180 | |
| 836 | F | A | -0.4459 | |
| 837 | L | A | 0.0000 | |
| 838 | Q | A | -0.9990 | |
| 839 | V | A | 0.0000 | |
| 840 | L | A | 0.0000 | |
| 841 | C | A | 0.0000 | |
| 842 | I | A | 0.0000 | |
| 843 | E | A | -2.0333 | |
| 844 | R | A | -3.2574 | |
| 845 | A | A | 0.0000 | |
| 846 | N | A | -2.6938 | |
| 847 | L | A | 0.0000 | |
| 848 | V | A | -2.5950 | |
| 849 | S | A | -2.6998 | |
| 850 | W | A | 0.0000 | |
| 851 | N | A | -2.4252 | |
| 852 | A | A | -1.5766 | |
| 853 | S | A | -1.1845 | |
| 854 | G | A | -1.4634 | |
| 855 | D | A | -2.5470 | |
| 856 | H | A | -1.9295 | |
| 857 | F | A | 0.0000 | |
| 858 | P | A | -1.6030 | |
| 859 | R | A | -1.6757 | |
| 860 | L | A | 0.0000 | |
| 861 | K | A | -1.3139 | |
| 862 | H | A | -0.9496 | |
| 863 | L | A | 0.0000 | |
| 864 | H | A | -0.3083 | |
| 865 | I | A | 0.0000 | |
| 866 | S | A | 0.0000 | |
| 867 | C | A | 0.0000 | |
| 868 | D | A | -3.9280 | |
| 869 | K | A | -3.9714 | |
| 870 | L | A | 0.0000 | |
| 871 | E | A | -3.4872 | |
| 872 | K | A | -3.0011 | |
| 873 | I | A | 0.0000 | |
| 874 | P | A | 0.0000 | |
| 875 | I | A | 0.5236 | |
| 876 | G | A | -0.3450 | |
| 877 | L | A | 0.0000 | |
| 878 | A | A | 0.0000 | |
| 879 | D | A | -1.6264 | |
| 880 | I | A | 0.0000 | |
| 881 | C | A | -0.2686 | |
| 882 | S | A | -0.9119 | |
| 883 | L | A | 0.0000 | |
| 884 | Q | A | -1.5901 | |
| 885 | V | A | -0.9033 | |
| 886 | M | A | 0.0000 | |
| 887 | D | A | 0.0000 | |
| 888 | L | A | 0.0000 | |
| 889 | R | A | -1.6673 | |
| 890 | N | A | -2.4671 | |
| 891 | S | A | -2.7282 | |
| 892 | T | A | -2.7627 | |
| 893 | K | A | -2.9292 | |
| 894 | S | A | -2.4353 | |
| 895 | A | A | 0.0000 | |
| 896 | A | A | 0.0000 | |
| 897 | K | A | -3.2152 | |
| 898 | S | A | -2.2484 | |
| 899 | A | A | 0.0000 | |
| 900 | R | A | -2.0970 | |
| 901 | E | A | -2.6337 | |
| 902 | I | A | 0.0000 | |
| 903 | Q | A | -2.1052 | |
| 904 | A | A | -1.9965 | |
| 905 | K | A | -2.1475 | |
| 906 | K | A | 0.0000 | |
| 907 | N | A | -2.3296 | |
| 908 | K | A | -2.0425 | |
| 909 | L | A | -0.5456 | |
| 910 | Q | A | -1.4129 | |
| 911 | P | A | -1.2143 | |
| 912 | A | A | -1.3310 | |
| 913 | K | A | -2.3827 | |
| 914 | S | A | -1.9215 | |
| 915 | Q | A | -2.7677 | |
| 916 | K | A | -3.2156 | |
| 917 | F | A | 0.0000 | |
| 918 | E | A | -2.3311 | |
| 919 | L | A | -0.9013 | |
| 920 | S | A | -0.2830 | |
| 921 | V | A | -0.0719 | |
| 922 | F | A | 0.5457 | |
| 923 | P | A | -0.0501 | |
| 924 | P | A | -0.0196 | |
| 925 | D | A | -0.7568 | |
| 926 | S | A | -1.0260 | |
| 927 | D | A | -1.6963 | |
| 928 | V | A | 0.1960 | |
| 929 | Q | A | -1.0970 | |
| 930 | T | A | -0.5144 | |
| 931 | A | A | -0.1875 | |
| 932 | S | A | -0.1702 |
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 | -1.0169 | 5.869 | View | CSV | PDB |
| 4.5 | -1.0862 | 5.869 | View | CSV | PDB |
| 5.0 | -1.1697 | 5.869 | View | CSV | PDB |
| 5.5 | -1.2495 | 5.869 | View | CSV | PDB |
| 6.0 | -1.3067 | 5.869 | View | CSV | PDB |
| 6.5 | -1.3288 | 5.869 | View | CSV | PDB |
| 7.0 | -1.317 | 5.869 | View | CSV | PDB |
| 7.5 | -1.2832 | 5.8689 | View | CSV | PDB |
| 8.0 | -1.2376 | 5.8686 | View | CSV | PDB |
| 8.5 | -1.1834 | 5.8678 | View | CSV | PDB |
| 9.0 | -1.1196 | 5.8652 | 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