| Chain sequence(s) |
A: MPSYTVTVATGSQWFAGTDDYIYLSLIGSAGCSEKHLLDKAFYNDFERGAVDSYDVTVDEELGEIYLVKIEKRKYWLHDDWYLKYITLKTPHGDYIEFPCYRWITGEGEIVLRDGRAKLARDDQIHILKQHRRKELEARQKQYRWMEWNPGFPLSIDAKCHKDLPRDIQFDSEKGVDFVLNYSKAMENLFINRFMHMFQSSWHDFADFEKIFVKISNTISERVKNHWQEDLMFGYQFLNGCNPVLIKRCTALPPKLPVTTEMVECSLERQLSLEQEVQEGNIFIVDYELLDGIDANKTDPCTHQFLAAPICLLYKNLANKIVPIAIQLNQTPGESNPIFLPTDSKYDWLLAKIWVRSSDFHVHQTITHLLRTHLVSEVFGIAMYRQLPAVHPLFKLLVAHVRFTIAINTKAREQLICEYGLFDKANATGGGGHVQMVQRAVQDLTYSSLCFPEAIKARGMDSTEDIPFYFYRDDGLLVWEAIQSFTMEVVSIYYENDQVVEEDQELQDFVKDVYVYGMRGKKASGFPKSIKSREKLSEYLTVVIFTASAQHAAVNFGQYDWCSWIPNAPPTMRAPPPTAKGVVTIEQIVDTLPDRGRSCWHLGAVWALSQFQENELFLGMYPEEHFIEKPVKEAMIRFRKNLEAIVSVIAERNKNKKLPYYYLSPDRIPNSVAI
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 |
| Mutated residues | YK419A,VT244A,LQ421A,YK516A,LQ317A,YD235A,LQ231A,VT582A,VT648A,VT179A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 6.83294 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] FoldX: Building mutant model (00:05:24)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/14bb962d6beaef7/tmp/folded.pdb (00:08:00)
[INFO] Main: Simulation completed successfully. (00:12:39)
|
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 | -0.1240 | |
| 2 | P | A | -0.7427 | |
| 3 | S | A | -0.9964 | |
| 4 | Y | A | 0.0000 | |
| 5 | T | A | -1.1586 | |
| 6 | V | A | 0.0000 | |
| 7 | T | A | -0.1444 | |
| 8 | V | A | 0.0000 | |
| 9 | A | A | 0.0000 | |
| 10 | T | A | 0.0000 | |
| 11 | G | A | 0.0000 | |
| 12 | S | A | -0.9019 | |
| 13 | Q | A | 0.0769 | |
| 14 | W | A | 1.3174 | |
| 15 | F | A | 1.5057 | |
| 16 | A | A | 0.0000 | |
| 17 | G | A | -1.5038 | |
| 18 | T | A | 0.0000 | |
| 19 | D | A | -2.2180 | |
| 20 | D | A | 0.0000 | |
| 21 | Y | A | -0.7416 | |
| 22 | I | A | 0.0000 | |
| 23 | Y | A | -1.1073 | |
| 24 | L | A | 0.0000 | |
| 25 | S | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | I | A | 0.0737 | |
| 28 | G | A | 0.0000 | |
| 29 | S | A | -0.5996 | |
| 30 | A | A | -0.7698 | |
| 31 | G | A | -0.7159 | |
| 32 | C | A | -0.4552 | |
| 33 | S | A | 0.0000 | |
| 34 | E | A | -2.9686 | |
| 35 | K | A | -2.6018 | |
| 36 | H | A | -1.6621 | |
| 37 | L | A | -0.8421 | |
| 38 | L | A | 0.0000 | |
| 39 | D | A | -2.2145 | |
| 40 | K | A | -1.9973 | |
| 41 | A | A | -0.2318 | |
| 42 | F | A | 1.4202 | |
| 43 | Y | A | 0.3254 | |
| 44 | N | A | -1.7019 | |
| 45 | D | A | -1.7787 | |
| 46 | F | A | 0.0000 | |
| 47 | E | A | -2.5386 | |
| 48 | R | A | -2.0542 | |
| 49 | G | A | -1.3867 | |
| 50 | A | A | -0.6160 | |
| 51 | V | A | 1.1398 | |
| 52 | D | A | 0.0000 | |
| 53 | S | A | -0.6250 | |
| 54 | Y | A | 0.0000 | |
| 55 | D | A | -2.0338 | |
| 56 | V | A | 0.0000 | |
| 57 | T | A | -1.1429 | |
| 58 | V | A | 0.0000 | |
| 59 | D | A | -2.8073 | |
| 60 | E | A | -3.0688 | |
| 61 | E | A | -2.3096 | |
| 62 | L | A | 0.0000 | |
| 63 | G | A | -1.6435 | |
| 64 | E | A | -2.3005 | |
| 65 | I | A | 0.0000 | |
| 66 | Y | A | -0.0268 | |
| 67 | L | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | K | A | -0.8355 | |
| 70 | I | A | 0.0000 | |
| 71 | E | A | -1.7593 | |
| 72 | K | A | 0.0000 | |
| 73 | R | A | -2.6358 | |
| 74 | K | A | -1.5467 | |
| 75 | Y | A | 0.0940 | |
| 76 | W | A | 1.1997 | |
| 77 | L | A | 1.1479 | |
| 78 | H | A | -1.2299 | |
| 79 | D | A | -1.2315 | |
| 80 | D | A | -1.1660 | |
| 81 | W | A | 0.0000 | |
| 82 | Y | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | K | A | -0.6667 | |
| 85 | Y | A | -0.1589 | |
| 86 | I | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | K | A | -1.9472 | |
| 90 | T | A | 0.0000 | |
| 91 | P | A | -1.3297 | |
| 92 | H | A | -2.1002 | |
| 93 | G | A | -1.8707 | |
| 94 | D | A | -2.2297 | |
| 95 | Y | A | -0.2861 | |
| 96 | I | A | -0.2109 | |
| 97 | E | A | -0.4415 | |
| 98 | F | A | 0.0000 | |
| 99 | P | A | 0.0000 | |
| 100 | C | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | R | A | -0.6666 | |
| 103 | W | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | T | A | -1.4376 | |
| 106 | G | A | -2.0117 | |
| 107 | E | A | -3.2755 | |
| 108 | G | A | -2.4049 | |
| 109 | E | A | -2.3919 | |
| 110 | I | A | -0.6544 | |
| 111 | V | A | -0.1800 | |
| 112 | L | A | 0.0000 | |
| 113 | R | A | 0.0000 | |
| 114 | D | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | R | A | -1.6358 | |
| 117 | A | A | 0.0000 | |
| 118 | K | A | -1.4801 | |
| 119 | L | A | 0.0000 | |
| 120 | A | A | 0.0000 | |
| 121 | R | A | -3.2970 | |
| 122 | D | A | -3.0491 | |
| 123 | D | A | 0.0000 | |
| 124 | Q | A | -2.0451 | |
| 125 | I | A | -0.8005 | |
| 126 | H | A | -1.2018 | |
| 127 | I | A | -0.4071 | |
| 128 | L | A | -1.1445 | |
| 129 | K | A | -2.3579 | |
| 130 | Q | A | -2.3495 | |
| 131 | H | A | -1.9611 | |
| 132 | R | A | 0.0000 | |
| 133 | R | A | -3.3180 | |
| 134 | K | A | -3.5738 | |
| 135 | E | A | -2.2463 | |
| 136 | L | A | 0.0000 | |
| 137 | E | A | -3.6106 | |
| 138 | A | A | -2.6196 | |
| 139 | R | A | 0.0000 | |
| 140 | Q | A | -2.8532 | |
| 141 | K | A | -3.3644 | |
| 142 | Q | A | -3.0994 | |
| 143 | Y | A | 0.0000 | |
| 144 | R | A | -3.1242 | |
| 145 | W | A | -1.9557 | |
| 146 | M | A | -1.6312 | |
| 147 | E | A | -1.5242 | |
| 148 | W | A | -0.9257 | |
| 149 | N | A | -0.6110 | |
| 150 | P | A | -0.7150 | |
| 151 | G | A | -0.9480 | |
| 152 | F | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | L | A | -0.8991 | |
| 155 | S | A | 0.0000 | |
| 156 | I | A | 0.0000 | |
| 157 | D | A | -3.0341 | |
| 158 | A | A | 0.0000 | |
| 159 | K | A | -2.5564 | |
| 160 | C | A | -1.8858 | |
| 161 | H | A | 0.0000 | |
| 162 | K | A | -2.5492 | |
| 163 | D | A | -2.2654 | |
| 164 | L | A | 0.0000 | |
| 165 | P | A | -1.1718 | |
| 166 | R | A | -1.3253 | |
| 167 | D | A | -1.1849 | |
| 168 | I | A | 0.0000 | |
| 169 | Q | A | -1.3437 | |
| 170 | F | A | 0.0000 | |
| 171 | D | A | -0.9260 | |
| 172 | S | A | -1.1518 | |
| 173 | E | A | -2.5938 | |
| 174 | K | A | -2.5277 | |
| 175 | G | A | -1.7379 | |
| 176 | V | A | -1.0459 | |
| 177 | D | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | T | A | -0.3897 | mutated: VT179A |
| 180 | L | A | -0.5966 | |
| 181 | N | A | -1.1028 | |
| 182 | Y | A | 0.0000 | |
| 183 | S | A | -1.4076 | |
| 184 | K | A | -2.2184 | |
| 185 | A | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | E | A | -2.7032 | |
| 188 | N | A | -1.9502 | |
| 189 | L | A | 0.0000 | |
| 190 | F | A | 0.0490 | |
| 191 | I | A | 0.0000 | |
| 192 | N | A | -1.9713 | |
| 193 | R | A | -2.1244 | |
| 194 | F | A | 0.0000 | |
| 195 | M | A | -1.1542 | |
| 196 | H | A | -1.3214 | |
| 197 | M | A | -0.6501 | |
| 198 | F | A | -0.4244 | |
| 199 | Q | A | -1.0031 | |
| 200 | S | A | -0.9615 | |
| 201 | S | A | -1.2696 | |
| 202 | W | A | 0.0000 | |
| 203 | H | A | -2.1556 | |
| 204 | D | A | -2.2528 | |
| 205 | F | A | -1.1085 | |
| 206 | A | A | -1.1699 | |
| 207 | D | A | -1.5169 | |
| 208 | F | A | 0.0000 | |
| 209 | E | A | -1.2178 | |
| 210 | K | A | -1.7158 | |
| 211 | I | A | -0.5107 | |
| 212 | F | A | 0.0000 | |
| 213 | V | A | 0.0309 | |
| 214 | K | A | -0.9868 | |
| 215 | I | A | 0.0000 | |
| 216 | S | A | -0.7605 | |
| 217 | N | A | -1.0187 | |
| 218 | T | A | -1.0941 | |
| 219 | I | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | E | A | -1.8689 | |
| 222 | R | A | -2.1754 | |
| 223 | V | A | 0.0000 | |
| 224 | K | A | -1.6032 | |
| 225 | N | A | -2.3693 | |
| 226 | H | A | -2.1490 | |
| 227 | W | A | 0.0000 | |
| 228 | Q | A | -2.4199 | |
| 229 | E | A | -2.3951 | |
| 230 | D | A | -1.7281 | |
| 231 | Q | A | -1.8693 | mutated: LQ231A |
| 232 | M | A | 0.0000 | |
| 233 | F | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | D | A | -1.0761 | mutated: YD235A |
| 236 | Q | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | N | A | 0.0000 | |
| 240 | G | A | 0.0000 | |
| 241 | C | A | 0.0000 | |
| 242 | N | A | 0.0000 | |
| 243 | P | A | 0.0000 | |
| 244 | T | A | 0.0409 | mutated: VT244A |
| 245 | L | A | 0.0598 | |
| 246 | I | A | 0.0000 | |
| 247 | K | A | -1.2375 | |
| 248 | R | A | -0.8909 | |
| 249 | C | A | 0.0000 | |
| 250 | T | A | -0.8628 | |
| 251 | A | A | -0.3638 | |
| 252 | L | A | -0.0876 | |
| 253 | P | A | -0.2061 | |
| 254 | P | A | -0.4221 | |
| 255 | K | A | -0.6597 | |
| 256 | L | A | 0.0000 | |
| 257 | P | A | -0.3837 | |
| 258 | V | A | 0.0000 | |
| 259 | T | A | -1.0762 | |
| 260 | T | A | -1.6995 | |
| 261 | E | A | -2.2215 | |
| 262 | M | A | -1.0512 | |
| 263 | V | A | 0.0000 | |
| 264 | E | A | -2.4054 | |
| 265 | C | A | -0.6660 | |
| 266 | S | A | -0.6262 | |
| 267 | L | A | -1.4873 | |
| 268 | E | A | -2.4197 | |
| 269 | R | A | -2.0633 | |
| 270 | Q | A | -2.0010 | |
| 271 | L | A | -1.7167 | |
| 272 | S | A | -2.0264 | |
| 273 | L | A | 0.0000 | |
| 274 | E | A | -2.7680 | |
| 275 | Q | A | -2.9085 | |
| 276 | E | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | Q | A | -2.9245 | |
| 279 | E | A | -2.9094 | |
| 280 | G | A | -1.8373 | |
| 281 | N | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | F | A | 0.0000 | |
| 284 | I | A | -0.2511 | |
| 285 | V | A | 0.0000 | |
| 286 | D | A | -1.4205 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.5761 | |
| 289 | L | A | -1.4163 | |
| 290 | L | A | 0.0000 | |
| 291 | D | A | -2.4382 | |
| 292 | G | A | -1.6850 | |
| 293 | I | A | 0.0000 | |
| 294 | D | A | -1.5431 | |
| 295 | A | A | -1.0626 | |
| 296 | N | A | 0.0000 | |
| 297 | K | A | -2.2261 | |
| 298 | T | A | -1.8144 | |
| 299 | D | A | -0.9969 | |
| 300 | P | A | -0.6972 | |
| 301 | C | A | -0.0898 | |
| 302 | T | A | 0.0000 | |
| 303 | H | A | -1.3480 | |
| 304 | Q | A | 0.0000 | |
| 305 | F | A | -0.3075 | |
| 306 | L | A | -0.2635 | |
| 307 | A | A | 0.0000 | |
| 308 | A | A | 0.0000 | |
| 309 | P | A | 0.0000 | |
| 310 | I | A | 0.0000 | |
| 311 | C | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | Y | A | 0.0000 | |
| 315 | K | A | 0.0000 | |
| 316 | N | A | -1.6262 | |
| 317 | Q | A | -2.0340 | mutated: LQ317A |
| 318 | A | A | -1.1914 | |
| 319 | N | A | -1.6383 | |
| 320 | K | A | -1.7976 | |
| 321 | I | A | 0.0000 | |
| 322 | V | A | -0.8370 | |
| 323 | P | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | Q | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | N | A | -1.5691 | |
| 330 | Q | A | 0.0000 | |
| 331 | T | A | -0.7727 | |
| 332 | P | A | -1.1139 | |
| 333 | G | A | -1.6748 | |
| 334 | E | A | -2.2189 | |
| 335 | S | A | -1.5259 | |
| 336 | N | A | -1.3064 | |
| 337 | P | A | -1.0389 | |
| 338 | I | A | 0.0000 | |
| 339 | F | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | P | A | -0.4582 | |
| 342 | T | A | -0.4430 | |
| 343 | D | A | -1.0896 | |
| 344 | S | A | -1.3649 | |
| 345 | K | A | -1.8576 | |
| 346 | Y | A | -0.9185 | |
| 347 | D | A | 0.0000 | |
| 348 | W | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | K | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | W | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | R | A | 0.0000 | |
| 357 | S | A | 0.0000 | |
| 358 | S | A | 0.0000 | |
| 359 | D | A | 0.0000 | |
| 360 | F | A | 0.0000 | |
| 361 | H | A | 0.0000 | |
| 362 | V | A | 0.0000 | |
| 363 | H | A | 0.0000 | |
| 364 | Q | A | -0.1267 | |
| 365 | T | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | T | A | 0.0000 | |
| 368 | H | A | 0.0000 | |
| 369 | L | A | 0.0149 | |
| 370 | L | A | 0.0000 | |
| 371 | R | A | -0.3079 | |
| 372 | T | A | 0.0000 | |
| 373 | H | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | S | A | 0.0000 | |
| 377 | E | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | F | A | 0.0000 | |
| 380 | G | A | 0.0000 | |
| 381 | I | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | M | A | 0.0000 | |
| 384 | Y | A | -0.3695 | |
| 385 | R | A | -1.4083 | |
| 386 | Q | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | P | A | 0.0000 | |
| 389 | A | A | -0.0425 | |
| 390 | V | A | 0.0000 | |
| 391 | H | A | 0.0000 | |
| 392 | P | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | F | A | 0.0000 | |
| 395 | K | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | L | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | A | A | -0.1454 | |
| 400 | H | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | R | A | -0.7629 | |
| 403 | F | A | 0.0000 | |
| 404 | T | A | 0.0000 | |
| 405 | I | A | 0.0000 | |
| 406 | A | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | N | A | 0.0000 | |
| 409 | T | A | 0.0000 | |
| 410 | K | A | 0.0000 | |
| 411 | A | A | 0.0000 | |
| 412 | R | A | 0.0000 | |
| 413 | E | A | -1.2173 | |
| 414 | Q | A | -0.8578 | |
| 415 | L | A | -0.6335 | |
| 416 | I | A | 0.0000 | |
| 417 | C | A | -1.4458 | |
| 418 | E | A | -2.7942 | |
| 419 | K | A | -2.7759 | mutated: YK419A |
| 420 | G | A | 0.0000 | |
| 421 | Q | A | -0.9335 | mutated: LQ421A |
| 422 | F | A | 0.0000 | |
| 423 | D | A | 0.0000 | |
| 424 | K | A | -1.0636 | |
| 425 | A | A | 0.0000 | |
| 426 | N | A | -0.3495 | |
| 427 | A | A | 0.0000 | |
| 428 | T | A | 0.0000 | |
| 429 | G | A | 0.0000 | |
| 430 | G | A | -1.9935 | |
| 431 | G | A | -1.2725 | |
| 432 | G | A | 0.0000 | |
| 433 | H | A | 0.0000 | |
| 434 | V | A | -0.4373 | |
| 435 | Q | A | -0.8218 | |
| 436 | M | A | 0.0000 | |
| 437 | V | A | 0.0000 | |
| 438 | Q | A | -1.3184 | |
| 439 | R | A | -1.7015 | |
| 440 | A | A | -1.4248 | |
| 441 | V | A | -1.5510 | |
| 442 | Q | A | -2.3664 | |
| 443 | D | A | -2.4979 | |
| 444 | L | A | 0.0000 | |
| 445 | T | A | -1.0971 | |
| 446 | Y | A | 0.0000 | |
| 447 | S | A | -0.6372 | |
| 448 | S | A | -0.7484 | |
| 449 | L | A | 0.0000 | |
| 450 | C | A | 0.0000 | |
| 451 | F | A | 0.0000 | |
| 452 | P | A | -1.4024 | |
| 453 | E | A | -2.0449 | |
| 454 | A | A | -1.3442 | |
| 455 | I | A | 0.0000 | |
| 456 | K | A | -2.6375 | |
| 457 | A | A | -1.5632 | |
| 458 | R | A | -1.4364 | |
| 459 | G | A | -1.5168 | |
| 460 | M | A | 0.0000 | |
| 461 | D | A | -2.0328 | |
| 462 | S | A | -1.5576 | |
| 463 | T | A | -1.3108 | |
| 464 | E | A | -2.2573 | |
| 465 | D | A | -1.7065 | |
| 466 | I | A | 0.0000 | |
| 467 | P | A | -0.7184 | |
| 468 | F | A | 0.3122 | |
| 469 | Y | A | 0.0000 | |
| 470 | F | A | 0.3005 | |
| 471 | Y | A | 0.0000 | |
| 472 | R | A | 0.0000 | |
| 473 | D | A | -0.3067 | |
| 474 | D | A | 0.0000 | |
| 475 | G | A | 0.0000 | |
| 476 | L | A | -0.1559 | |
| 477 | L | A | -0.1538 | |
| 478 | V | A | 0.0000 | |
| 479 | W | A | 0.0000 | |
| 480 | E | A | -1.9147 | |
| 481 | A | A | 0.0000 | |
| 482 | I | A | 0.0000 | |
| 483 | Q | A | -1.6671 | |
| 484 | S | A | -1.3293 | |
| 485 | F | A | 0.0000 | |
| 486 | T | A | 0.0000 | |
| 487 | M | A | -0.8921 | |
| 488 | E | A | -0.6840 | |
| 489 | V | A | 0.0000 | |
| 490 | V | A | 0.0000 | |
| 491 | S | A | -0.8736 | |
| 492 | I | A | 0.1149 | |
| 493 | Y | A | -0.2345 | |
| 494 | Y | A | 0.0000 | |
| 495 | E | A | -2.3069 | |
| 496 | N | A | -2.5845 | |
| 497 | D | A | -3.5643 | |
| 498 | Q | A | -3.0714 | |
| 499 | V | A | -2.5182 | |
| 500 | V | A | 0.0000 | |
| 501 | E | A | -3.1416 | |
| 502 | E | A | -2.7486 | |
| 503 | D | A | 0.0000 | |
| 504 | Q | A | -1.8294 | |
| 505 | E | A | 0.0000 | |
| 506 | L | A | 0.0000 | |
| 507 | Q | A | 0.0000 | |
| 508 | D | A | -1.2389 | |
| 509 | F | A | 0.0000 | |
| 510 | V | A | 0.0000 | |
| 511 | K | A | -1.1930 | |
| 512 | D | A | -0.8924 | |
| 513 | V | A | 0.0000 | |
| 514 | Y | A | 0.0000 | |
| 515 | V | A | -0.6756 | |
| 516 | K | A | -0.9932 | mutated: YK516A |
| 517 | G | A | 0.0000 | |
| 518 | M | A | 0.0000 | |
| 519 | R | A | -1.4161 | |
| 520 | G | A | -1.3602 | |
| 521 | K | A | -1.8033 | |
| 522 | K | A | -2.2929 | |
| 523 | A | A | -1.5812 | |
| 524 | S | A | 0.0000 | |
| 525 | G | A | -1.2846 | |
| 526 | F | A | 0.0000 | |
| 527 | P | A | -1.5269 | |
| 528 | K | A | -2.1246 | |
| 529 | S | A | -1.8729 | |
| 530 | I | A | 0.0000 | |
| 531 | K | A | -3.4023 | |
| 532 | S | A | -2.9389 | |
| 533 | R | A | -2.9657 | |
| 534 | E | A | -2.9792 | |
| 535 | K | A | -2.4178 | |
| 536 | L | A | 0.0000 | |
| 537 | S | A | 0.0000 | |
| 538 | E | A | -1.4478 | |
| 539 | Y | A | 0.0000 | |
| 540 | L | A | 0.0000 | |
| 541 | T | A | 0.0000 | |
| 542 | V | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | I | A | 0.0000 | |
| 545 | F | A | 0.0000 | |
| 546 | T | A | 0.0000 | |
| 547 | A | A | 0.0000 | |
| 548 | S | A | 0.0000 | |
| 549 | A | A | 0.0000 | |
| 550 | Q | A | -0.1848 | |
| 551 | H | A | 0.0000 | |
| 552 | A | A | 0.0000 | |
| 553 | A | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | N | A | 0.0000 | |
| 556 | F | A | 0.0000 | |
| 557 | G | A | 0.0000 | |
| 558 | Q | A | 0.0000 | |
| 559 | Y | A | 0.0000 | |
| 560 | D | A | -0.5583 | |
| 561 | W | A | 0.0000 | |
| 562 | C | A | 0.0000 | |
| 563 | S | A | 0.0000 | |
| 564 | W | A | 0.0000 | |
| 565 | I | A | 0.0000 | |
| 566 | P | A | 0.0000 | |
| 567 | N | A | 0.0000 | |
| 568 | A | A | 0.0000 | |
| 569 | P | A | 0.0000 | |
| 570 | P | A | 0.0000 | |
| 571 | T | A | 0.0000 | |
| 572 | M | A | 0.0000 | |
| 573 | R | A | -1.0016 | |
| 574 | A | A | -0.8032 | |
| 575 | P | A | -0.3427 | |
| 576 | P | A | -0.2822 | |
| 577 | P | A | -0.3766 | |
| 578 | T | A | -0.8150 | |
| 579 | A | A | -0.9066 | |
| 580 | K | A | -1.1282 | |
| 581 | G | A | -1.1176 | |
| 582 | T | A | -0.5494 | mutated: VT582A |
| 583 | V | A | -0.6765 | |
| 584 | T | A | -0.7585 | |
| 585 | I | A | -1.0040 | |
| 586 | E | A | -2.7073 | |
| 587 | Q | A | -2.1383 | |
| 588 | I | A | 0.0000 | |
| 589 | V | A | 0.0000 | |
| 590 | D | A | -2.8571 | |
| 591 | T | A | 0.0000 | |
| 592 | L | A | 0.0000 | |
| 593 | P | A | 0.0000 | |
| 594 | D | A | 0.0000 | |
| 595 | R | A | -0.5510 | |
| 596 | G | A | 0.0000 | |
| 597 | R | A | 0.0000 | |
| 598 | S | A | 0.0000 | |
| 599 | C | A | 0.0000 | |
| 600 | W | A | -0.2094 | |
| 601 | H | A | 0.0000 | |
| 602 | L | A | 0.0000 | |
| 603 | G | A | 0.0000 | |
| 604 | A | A | 0.0341 | |
| 605 | V | A | 0.0000 | |
| 606 | W | A | -0.0370 | |
| 607 | A | A | -0.1507 | |
| 608 | L | A | 0.0000 | |
| 609 | S | A | -0.0015 | |
| 610 | Q | A | -0.3665 | |
| 611 | F | A | -0.3666 | |
| 612 | Q | A | -1.5088 | |
| 613 | E | A | -2.5276 | |
| 614 | N | A | -2.1422 | |
| 615 | E | A | -1.1378 | |
| 616 | L | A | -0.2902 | |
| 617 | F | A | -0.0982 | |
| 618 | L | A | 0.0000 | |
| 619 | G | A | 0.0000 | |
| 620 | M | A | 0.4660 | |
| 621 | Y | A | -0.0405 | |
| 622 | P | A | -0.6716 | |
| 623 | E | A | -1.2801 | |
| 624 | E | A | -2.1146 | |
| 625 | H | A | 0.0000 | |
| 626 | F | A | 0.0000 | |
| 627 | I | A | -1.1301 | |
| 628 | E | A | -1.8499 | |
| 629 | K | A | -2.3611 | |
| 630 | P | A | -1.4562 | |
| 631 | V | A | 0.0000 | |
| 632 | K | A | -2.1497 | |
| 633 | E | A | -2.0604 | |
| 634 | A | A | 0.0000 | |
| 635 | M | A | -1.2066 | |
| 636 | I | A | -1.1651 | |
| 637 | R | A | -2.3059 | |
| 638 | F | A | 0.0000 | |
| 639 | R | A | -2.4634 | |
| 640 | K | A | -3.3008 | |
| 641 | N | A | -2.8667 | |
| 642 | L | A | 0.0000 | |
| 643 | E | A | -3.2558 | |
| 644 | A | A | -1.6374 | |
| 645 | I | A | 0.0000 | |
| 646 | V | A | -1.4649 | |
| 647 | S | A | -1.1370 | |
| 648 | T | A | -0.8903 | mutated: VT648A |
| 649 | I | A | 0.0000 | |
| 650 | A | A | -1.4787 | |
| 651 | E | A | -2.8507 | |
| 652 | R | A | -2.0527 | |
| 653 | N | A | 0.0000 | |
| 654 | K | A | -3.5117 | |
| 655 | N | A | -3.1690 | |
| 656 | K | A | -2.9623 | |
| 657 | K | A | -2.6457 | |
| 658 | L | A | -1.4125 | |
| 659 | P | A | -1.0834 | |
| 660 | Y | A | 0.0000 | |
| 661 | Y | A | 0.1154 | |
| 662 | Y | A | 0.0000 | |
| 663 | L | A | 0.0000 | |
| 664 | S | A | 0.0000 | |
| 665 | P | A | 0.0000 | |
| 666 | D | A | -2.1929 | |
| 667 | R | A | -1.4039 | |
| 668 | I | A | 0.0000 | |
| 669 | P | A | 0.0000 | |
| 670 | N | A | 0.0000 | |
| 671 | S | A | 0.0000 | |
| 672 | V | A | 0.0000 | |
| 673 | A | A | 0.0000 | |
| 674 | I | A | 0.0000 |
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 | -0.6201 | 4.6051 | View | CSV | PDB |
| 4.5 | -0.6835 | 4.5175 | View | CSV | PDB |
| 5.0 | -0.7626 | 4.4121 | View | CSV | PDB |
| 5.5 | -0.842 | 4.2998 | View | CSV | PDB |
| 6.0 | -0.9054 | 4.1888 | View | CSV | PDB |
| 6.5 | -0.94 | 4.0862 | View | CSV | PDB |
| 7.0 | -0.9441 | 3.996 | View | CSV | PDB |
| 7.5 | -0.9268 | 3.9163 | View | CSV | PDB |
| 8.0 | -0.8982 | 3.8963 | View | CSV | PDB |
| 8.5 | -0.8623 | 3.9728 | View | CSV | PDB |
| 9.0 | -0.819 | 4.0603 | 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