| 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 |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/459f9bb7d494c28/tmp/folded.pdb (00:10:09)
[INFO] Main: Simulation completed successfully. (00:13:40)
|
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 | -0.1286 | |
| 2 | P | A | -0.7497 | |
| 3 | S | A | -1.0051 | |
| 4 | Y | A | 0.0000 | |
| 5 | T | A | -1.1653 | |
| 6 | V | A | 0.0000 | |
| 7 | T | A | -0.1401 | |
| 8 | V | A | 0.0000 | |
| 9 | A | A | 0.0000 | |
| 10 | T | A | 0.0000 | |
| 11 | G | A | 0.0000 | |
| 12 | S | A | -0.9080 | |
| 13 | Q | A | 0.0623 | |
| 14 | W | A | 1.3014 | |
| 15 | F | A | 1.4953 | |
| 16 | A | A | 0.0000 | |
| 17 | G | A | -1.5044 | |
| 18 | T | A | 0.0000 | |
| 19 | D | A | -2.1919 | |
| 20 | D | A | 0.0000 | |
| 21 | Y | A | -0.6681 | |
| 22 | I | A | 0.0000 | |
| 23 | Y | A | -0.9664 | |
| 24 | L | A | 0.0000 | |
| 25 | S | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | I | A | 0.0743 | |
| 28 | G | A | 0.0000 | |
| 29 | S | A | -0.6020 | |
| 30 | A | A | -0.7752 | |
| 31 | G | A | -0.7224 | |
| 32 | C | A | -0.4029 | |
| 33 | S | A | 0.0000 | |
| 34 | E | A | -2.7424 | |
| 35 | K | A | -2.1389 | |
| 36 | H | A | -1.4443 | |
| 37 | L | A | -0.7434 | |
| 38 | L | A | 0.0000 | |
| 39 | D | A | -2.1669 | |
| 40 | K | A | -1.9019 | |
| 41 | A | A | -0.1426 | |
| 42 | F | A | 1.5604 | |
| 43 | Y | A | 0.6161 | |
| 44 | N | A | -1.5544 | |
| 45 | D | A | -1.6861 | |
| 46 | F | A | 0.0000 | |
| 47 | E | A | -2.5154 | |
| 48 | R | A | -2.0527 | |
| 49 | G | A | -1.3966 | |
| 50 | A | A | -0.6132 | |
| 51 | V | A | 1.1473 | |
| 52 | D | A | 0.0000 | |
| 53 | S | A | -0.6086 | |
| 54 | Y | A | 0.0000 | |
| 55 | D | A | -2.0338 | |
| 56 | V | A | 0.0000 | |
| 57 | T | A | -1.1440 | |
| 58 | V | A | 0.0000 | |
| 59 | D | A | -2.8119 | |
| 60 | E | A | -3.0795 | |
| 61 | E | A | -2.3313 | |
| 62 | L | A | 0.0000 | |
| 63 | G | A | -1.6497 | |
| 64 | E | A | -2.3028 | |
| 65 | I | A | 0.0000 | |
| 66 | Y | A | -0.0289 | |
| 67 | L | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | K | A | -0.7803 | |
| 70 | I | A | 0.0000 | |
| 71 | E | A | -1.6844 | |
| 72 | K | A | 0.0000 | |
| 73 | R | A | -2.4038 | |
| 74 | K | A | -1.4319 | |
| 75 | Y | A | 0.1500 | |
| 76 | W | A | 1.2245 | |
| 77 | L | A | 1.1455 | |
| 78 | H | A | -1.2065 | |
| 79 | D | A | -1.2254 | |
| 80 | D | A | -1.1992 | |
| 81 | W | A | 0.0000 | |
| 82 | Y | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | K | A | -0.6389 | |
| 85 | Y | A | -0.1393 | |
| 86 | I | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | K | A | -1.9801 | |
| 90 | T | A | 0.0000 | |
| 91 | P | A | -1.3394 | |
| 92 | H | A | -2.1052 | |
| 93 | G | A | -1.8806 | |
| 94 | D | A | -2.2436 | |
| 95 | Y | A | -0.3047 | |
| 96 | I | A | -0.2314 | |
| 97 | E | A | -0.4426 | |
| 98 | F | A | 0.0000 | |
| 99 | P | A | 0.0000 | |
| 100 | C | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | R | A | -0.6616 | |
| 103 | W | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | T | A | -1.4497 | |
| 106 | G | A | -1.9742 | |
| 107 | E | A | -3.1995 | |
| 108 | G | A | -2.3648 | |
| 109 | E | A | -2.3791 | |
| 110 | I | A | -0.6593 | |
| 111 | V | A | -0.1748 | |
| 112 | L | A | 0.0000 | |
| 113 | R | A | 0.0000 | |
| 114 | D | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | R | A | -1.6193 | |
| 117 | A | A | 0.0000 | |
| 118 | K | A | -1.4710 | |
| 119 | L | A | 0.0000 | |
| 120 | A | A | 0.0000 | |
| 121 | R | A | -3.2450 | |
| 122 | D | A | -3.0218 | |
| 123 | D | A | 0.0000 | |
| 124 | Q | A | -2.0290 | |
| 125 | I | A | -0.7928 | |
| 126 | H | A | -1.2006 | |
| 127 | I | A | -0.4123 | |
| 128 | L | A | -1.1489 | |
| 129 | K | A | -2.3585 | |
| 130 | Q | A | -2.3633 | |
| 131 | H | A | -1.9740 | |
| 132 | R | A | 0.0000 | |
| 133 | R | A | -3.3556 | |
| 134 | K | A | -3.5949 | |
| 135 | E | A | -2.2599 | |
| 136 | L | A | 0.0000 | |
| 137 | E | A | -3.6249 | |
| 138 | A | A | -2.6289 | |
| 139 | R | A | 0.0000 | |
| 140 | Q | A | -2.8661 | |
| 141 | K | A | -3.3711 | |
| 142 | Q | A | -3.1024 | |
| 143 | Y | A | 0.0000 | |
| 144 | R | A | -3.1270 | |
| 145 | W | A | -1.6256 | |
| 146 | M | A | -1.4373 | |
| 147 | E | A | -1.3536 | |
| 148 | W | A | -0.9304 | |
| 149 | N | A | -0.6136 | |
| 150 | P | A | -0.7154 | |
| 151 | G | A | -0.9386 | |
| 152 | F | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | L | A | -0.5117 | |
| 155 | S | A | 0.0000 | |
| 156 | I | A | 0.0000 | |
| 157 | D | A | -3.0440 | |
| 158 | A | A | 0.0000 | |
| 159 | K | A | -2.5696 | |
| 160 | C | A | -1.9037 | |
| 161 | H | A | 0.0000 | |
| 162 | K | A | -2.5784 | |
| 163 | D | A | -2.3194 | |
| 164 | L | A | 0.0000 | |
| 165 | P | A | -1.1844 | |
| 166 | R | A | -1.3373 | |
| 167 | D | A | -1.1859 | |
| 168 | I | A | 0.0000 | |
| 169 | Q | A | -1.3545 | |
| 170 | F | A | 0.0000 | |
| 171 | D | A | -0.9346 | |
| 172 | S | A | -1.1870 | |
| 173 | E | A | -2.6551 | |
| 174 | K | A | -2.4577 | |
| 175 | G | A | -1.8070 | |
| 176 | V | A | -0.9863 | |
| 177 | D | A | -0.6551 | |
| 178 | F | A | 0.0000 | |
| 179 | V | A | 0.9810 | |
| 180 | L | A | -0.0511 | |
| 181 | N | A | -0.7799 | |
| 182 | Y | A | 0.0000 | |
| 183 | S | A | -1.0463 | |
| 184 | K | A | -2.0490 | |
| 185 | A | A | 0.0000 | |
| 186 | M | A | 0.0000 | |
| 187 | E | A | -2.6872 | |
| 188 | N | A | -1.9451 | |
| 189 | L | A | 0.0000 | |
| 190 | F | A | 0.0326 | |
| 191 | I | A | 0.0000 | |
| 192 | N | A | -1.9201 | |
| 193 | R | A | -2.0897 | |
| 194 | F | A | 0.0000 | |
| 195 | M | A | -1.1450 | |
| 196 | H | A | -1.3118 | |
| 197 | M | A | -0.6360 | |
| 198 | F | A | -0.4081 | |
| 199 | Q | A | -0.9997 | |
| 200 | S | A | -0.9595 | |
| 201 | S | A | -1.2680 | |
| 202 | W | A | 0.0000 | |
| 203 | H | A | -2.1562 | |
| 204 | D | A | -2.2560 | |
| 205 | F | A | -1.1106 | |
| 206 | A | A | -1.1953 | |
| 207 | D | A | -1.5574 | |
| 208 | F | A | 0.0000 | |
| 209 | E | A | -1.2811 | |
| 210 | K | A | -1.8112 | |
| 211 | I | A | 0.0000 | |
| 212 | F | A | 0.0000 | |
| 213 | V | A | -0.0278 | |
| 214 | K | A | -1.0443 | |
| 215 | I | A | 0.0000 | |
| 216 | S | A | -0.7778 | |
| 217 | N | A | -1.0092 | |
| 218 | T | A | -1.1032 | |
| 219 | I | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | E | A | -1.8387 | |
| 222 | R | A | -2.1408 | |
| 223 | V | A | 0.0000 | |
| 224 | K | A | -1.5836 | |
| 225 | N | A | -2.3490 | |
| 226 | H | A | -1.8514 | |
| 227 | W | A | 0.0000 | |
| 228 | Q | A | -2.1747 | |
| 229 | E | A | -1.6984 | |
| 230 | D | A | -0.6844 | |
| 231 | L | A | 0.4179 | |
| 232 | M | A | 0.0000 | |
| 233 | F | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | Y | A | 0.3804 | |
| 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 | V | A | 0.2736 | |
| 245 | L | A | 0.1192 | |
| 246 | I | A | 0.0000 | |
| 247 | K | A | -1.4645 | |
| 248 | R | A | -1.1082 | |
| 249 | C | A | 0.0000 | |
| 250 | T | A | -0.9283 | |
| 251 | A | A | -0.3943 | |
| 252 | L | A | -0.1167 | |
| 253 | P | A | -0.2039 | |
| 254 | P | A | -0.4209 | |
| 255 | K | A | -0.6550 | |
| 256 | L | A | 0.0000 | |
| 257 | P | A | -0.3860 | |
| 258 | V | A | 0.0000 | |
| 259 | T | A | -1.0774 | |
| 260 | T | A | -1.7225 | |
| 261 | E | A | -2.2229 | |
| 262 | M | A | -1.0515 | |
| 263 | V | A | 0.0000 | |
| 264 | E | A | -2.4062 | |
| 265 | C | A | -0.6328 | |
| 266 | S | A | -0.5989 | |
| 267 | L | A | 0.0000 | |
| 268 | E | A | -1.5105 | |
| 269 | R | A | -1.5752 | |
| 270 | Q | A | -1.9883 | |
| 271 | L | A | -1.7214 | |
| 272 | S | A | -2.0316 | |
| 273 | L | A | 0.0000 | |
| 274 | E | A | -2.7680 | |
| 275 | Q | A | -2.9250 | |
| 276 | E | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | Q | A | -2.9249 | |
| 279 | E | A | -2.9098 | |
| 280 | G | A | -1.8438 | |
| 281 | N | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | F | A | 0.0000 | |
| 284 | I | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | D | A | -1.2539 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.5116 | |
| 289 | L | A | -1.3801 | |
| 290 | L | A | 0.0000 | |
| 291 | D | A | -2.4804 | |
| 292 | G | A | -1.7055 | |
| 293 | I | A | 0.0000 | |
| 294 | D | A | -1.5538 | |
| 295 | A | A | -1.0633 | |
| 296 | N | A | 0.0000 | |
| 297 | K | A | -2.2267 | |
| 298 | T | A | -1.2578 | |
| 299 | D | A | -0.9871 | |
| 300 | P | A | -0.6974 | |
| 301 | C | A | -0.0900 | |
| 302 | T | A | 0.0000 | |
| 303 | H | A | -1.3485 | |
| 304 | Q | A | 0.0000 | |
| 305 | F | A | -0.3067 | |
| 306 | L | A | -0.2670 | |
| 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 | -0.0683 | |
| 317 | L | A | 0.8744 | |
| 318 | A | A | 0.3092 | |
| 319 | N | A | -0.5443 | |
| 320 | K | A | -0.2233 | |
| 321 | I | A | 0.0000 | |
| 322 | V | A | 0.0984 | |
| 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 | -1.5264 | |
| 330 | Q | A | 0.0000 | |
| 331 | T | A | -0.7737 | |
| 332 | P | A | -1.1172 | |
| 333 | G | A | -1.6885 | |
| 334 | E | A | -2.2299 | |
| 335 | S | A | -1.5261 | |
| 336 | N | A | -1.3064 | |
| 337 | P | A | -1.0317 | |
| 338 | I | A | 0.0000 | |
| 339 | F | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | P | A | -0.4540 | |
| 342 | T | A | -0.4380 | |
| 343 | D | A | -1.0838 | |
| 344 | S | A | -1.1121 | |
| 345 | K | A | -1.8680 | |
| 346 | Y | A | -0.6850 | |
| 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 | -0.0996 | |
| 365 | T | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | T | A | 0.0000 | |
| 368 | H | A | 0.0000 | |
| 369 | L | A | 0.0282 | |
| 370 | L | A | 0.0000 | |
| 371 | R | A | -0.2820 | |
| 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 | -0.3620 | |
| 385 | R | A | -1.3778 | |
| 386 | Q | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | P | A | 0.0000 | |
| 389 | A | A | -0.0436 | |
| 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 | -0.1440 | |
| 400 | H | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | R | A | -0.7662 | |
| 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 | -1.1938 | |
| 414 | Q | A | -0.1051 | |
| 415 | L | A | 0.1150 | |
| 416 | I | A | 0.0000 | |
| 417 | C | A | -0.5846 | |
| 418 | E | A | -1.3134 | |
| 419 | Y | A | 0.3099 | |
| 420 | G | A | 0.0000 | |
| 421 | L | A | 0.2719 | |
| 422 | F | A | 0.0000 | |
| 423 | D | A | 0.0000 | |
| 424 | K | A | -0.4424 | |
| 425 | A | A | 0.0000 | |
| 426 | N | A | -0.2957 | |
| 427 | A | A | 0.0000 | |
| 428 | T | A | 0.0000 | |
| 429 | G | A | 0.0000 | |
| 430 | G | A | -1.3283 | |
| 431 | G | A | -0.9413 | |
| 432 | G | A | 0.0000 | |
| 433 | H | A | 0.0000 | |
| 434 | V | A | -0.4283 | |
| 435 | Q | A | -0.8041 | |
| 436 | M | A | 0.0000 | |
| 437 | V | A | 0.0000 | |
| 438 | Q | A | -1.2827 | |
| 439 | R | A | -1.6436 | |
| 440 | A | A | -1.3912 | |
| 441 | V | A | -1.5243 | |
| 442 | Q | A | -2.3387 | |
| 443 | D | A | -2.4847 | |
| 444 | L | A | 0.0000 | |
| 445 | T | A | -1.0967 | |
| 446 | Y | A | 0.0000 | |
| 447 | S | A | -0.6269 | |
| 448 | S | A | -0.7401 | |
| 449 | L | A | 0.0000 | |
| 450 | C | A | 0.0000 | |
| 451 | F | A | 0.0000 | |
| 452 | P | A | -1.3924 | |
| 453 | E | A | -2.0254 | |
| 454 | A | A | -1.3024 | |
| 455 | I | A | 0.0000 | |
| 456 | K | A | -2.6726 | |
| 457 | A | A | -1.6087 | |
| 458 | R | A | -1.5495 | |
| 459 | G | A | -1.6111 | |
| 460 | M | A | 0.0000 | |
| 461 | D | A | -2.0369 | |
| 462 | S | A | -1.5386 | |
| 463 | T | A | -1.3976 | |
| 464 | E | A | -2.2809 | |
| 465 | D | A | -1.6943 | |
| 466 | I | A | 0.0000 | |
| 467 | P | A | -0.9018 | |
| 468 | F | A | -0.0100 | |
| 469 | Y | A | 0.0000 | |
| 470 | F | A | 0.0000 | |
| 471 | Y | A | 0.0000 | |
| 472 | R | A | 0.0000 | |
| 473 | D | A | -0.4711 | |
| 474 | D | A | 0.0000 | |
| 475 | G | A | 0.0000 | |
| 476 | L | A | -0.2135 | |
| 477 | L | A | -0.0310 | |
| 478 | V | A | 0.0000 | |
| 479 | W | A | 0.0000 | |
| 480 | E | A | -1.9396 | |
| 481 | A | A | 0.0000 | |
| 482 | I | A | 0.0000 | |
| 483 | Q | A | -1.6715 | |
| 484 | S | A | -1.3285 | |
| 485 | F | A | 0.0000 | |
| 486 | T | A | 0.0000 | |
| 487 | M | A | -0.8856 | |
| 488 | E | A | -0.6751 | |
| 489 | V | A | 0.0000 | |
| 490 | V | A | 0.0000 | |
| 491 | S | A | -0.8748 | |
| 492 | I | A | 0.1193 | |
| 493 | Y | A | -0.2375 | |
| 494 | Y | A | 0.0000 | |
| 495 | E | A | -2.3093 | |
| 496 | N | A | -2.5772 | |
| 497 | D | A | -3.5480 | |
| 498 | Q | A | -3.0529 | |
| 499 | V | A | -2.4970 | |
| 500 | V | A | 0.0000 | |
| 501 | E | A | -3.1109 | |
| 502 | E | A | -2.7604 | |
| 503 | D | A | 0.0000 | |
| 504 | Q | A | -1.8764 | |
| 505 | E | A | 0.0000 | |
| 506 | L | A | 0.0000 | |
| 507 | Q | A | -1.9846 | |
| 508 | D | A | -1.5355 | |
| 509 | F | A | 0.0000 | |
| 510 | V | A | 0.0000 | |
| 511 | K | A | -1.4869 | |
| 512 | D | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | Y | A | -0.9258 | |
| 515 | V | A | -0.2275 | |
| 516 | Y | A | 0.4057 | |
| 517 | G | A | 0.0000 | |
| 518 | M | A | 0.0000 | |
| 519 | R | A | -0.9224 | |
| 520 | G | A | -1.2084 | |
| 521 | K | A | -1.6980 | |
| 522 | K | A | -2.3300 | |
| 523 | A | A | -1.6065 | |
| 524 | S | A | 0.0000 | |
| 525 | G | A | -1.2823 | |
| 526 | F | A | 0.0000 | |
| 527 | P | A | -1.6174 | |
| 528 | K | A | -2.3344 | |
| 529 | S | A | -2.0576 | |
| 530 | I | A | 0.0000 | |
| 531 | K | A | -3.4042 | |
| 532 | S | A | -2.9336 | |
| 533 | R | A | -2.9752 | |
| 534 | E | A | -2.9902 | |
| 535 | K | A | -2.4320 | |
| 536 | L | A | 0.0000 | |
| 537 | S | A | 0.0000 | |
| 538 | E | A | -1.4459 | |
| 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 | -0.1785 | |
| 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 | -0.5477 | |
| 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 | -1.0135 | |
| 574 | A | A | -0.8190 | |
| 575 | P | A | -0.3425 | |
| 576 | P | A | -0.2791 | |
| 577 | P | A | -0.0746 | |
| 578 | T | A | -0.5849 | |
| 579 | A | A | -0.4691 | |
| 580 | K | A | -0.5207 | |
| 581 | G | A | -0.2096 | |
| 582 | V | A | 1.2906 | |
| 583 | V | A | 0.1859 | |
| 584 | T | A | -0.3681 | |
| 585 | I | A | -1.0650 | |
| 586 | E | A | -2.7708 | |
| 587 | Q | A | -2.0401 | |
| 588 | I | A | 0.0000 | |
| 589 | V | A | 0.0000 | |
| 590 | D | A | -2.8983 | |
| 591 | T | A | 0.0000 | |
| 592 | L | A | 0.0000 | |
| 593 | P | A | 0.0000 | |
| 594 | D | A | 0.0000 | |
| 595 | R | A | -0.5579 | |
| 596 | G | A | 0.0000 | |
| 597 | R | A | 0.0000 | |
| 598 | S | A | 0.0000 | |
| 599 | C | A | 0.0000 | |
| 600 | W | A | 0.0000 | |
| 601 | H | A | 0.0000 | |
| 602 | L | A | 0.0000 | |
| 603 | G | A | 0.0000 | |
| 604 | A | A | 0.1974 | |
| 605 | V | A | 0.0000 | |
| 606 | W | A | -0.0359 | |
| 607 | A | A | -0.1527 | |
| 608 | L | A | 0.0000 | |
| 609 | S | A | 0.0096 | |
| 610 | Q | A | -0.3495 | |
| 611 | F | A | -0.3555 | |
| 612 | Q | A | -1.5029 | |
| 613 | E | A | -2.5246 | |
| 614 | N | A | -2.1410 | |
| 615 | E | A | -1.1329 | |
| 616 | L | A | -0.2845 | |
| 617 | F | A | -0.0952 | |
| 618 | L | A | 0.0000 | |
| 619 | G | A | 0.0000 | |
| 620 | M | A | 0.4683 | |
| 621 | Y | A | -0.0328 | |
| 622 | P | A | -0.6664 | |
| 623 | E | A | -1.2713 | |
| 624 | E | A | -2.1087 | |
| 625 | H | A | 0.0000 | |
| 626 | F | A | 0.0000 | |
| 627 | I | A | -1.1348 | |
| 628 | E | A | -1.8551 | |
| 629 | K | A | -2.3611 | |
| 630 | P | A | -1.4507 | |
| 631 | V | A | 0.0000 | |
| 632 | K | A | -2.1368 | |
| 633 | E | A | -2.0668 | |
| 634 | A | A | 0.0000 | |
| 635 | M | A | -1.2237 | |
| 636 | I | A | -1.1994 | |
| 637 | R | A | -2.3698 | |
| 638 | F | A | 0.0000 | |
| 639 | R | A | -2.5316 | |
| 640 | K | A | -3.3446 | |
| 641 | N | A | -2.9058 | |
| 642 | L | A | 0.0000 | |
| 643 | E | A | -3.0284 | |
| 644 | A | A | -1.1908 | |
| 645 | I | A | 0.0000 | |
| 646 | V | A | -0.8965 | |
| 647 | S | A | -0.2587 | |
| 648 | V | A | 0.9294 | |
| 649 | I | A | 0.0000 | |
| 650 | A | A | -0.9007 | |
| 651 | E | A | -2.2410 | |
| 652 | R | A | -1.5561 | |
| 653 | N | A | 0.0000 | |
| 654 | K | A | -3.5127 | |
| 655 | N | A | -3.1744 | |
| 656 | K | A | -2.9853 | |
| 657 | K | A | -2.7083 | |
| 658 | L | A | 0.0000 | |
| 659 | P | A | -1.1817 | |
| 660 | Y | A | 0.0000 | |
| 661 | Y | A | 0.0724 | |
| 662 | Y | A | 0.0000 | |
| 663 | L | A | 0.0000 | |
| 664 | S | A | 0.0000 | |
| 665 | P | A | 0.0000 | |
| 666 | D | A | -2.1897 | |
| 667 | R | A | -1.3986 | |
| 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 | -0.5518 | 4.5867 | View | CSV | PDB |
| 4.5 | -0.6139 | 4.4975 | View | CSV | PDB |
| 5.0 | -0.6914 | 4.3908 | View | CSV | PDB |
| 5.5 | -0.7692 | 4.2776 | View | CSV | PDB |
| 6.0 | -0.8317 | 4.1658 | View | CSV | PDB |
| 6.5 | -0.8669 | 4.0622 | View | CSV | PDB |
| 7.0 | -0.8734 | 3.9709 | View | CSV | PDB |
| 7.5 | -0.8599 | 4.0093 | View | CSV | PDB |
| 8.0 | -0.8354 | 4.0779 | View | CSV | PDB |
| 8.5 | -0.8036 | 4.1536 | View | CSV | PDB |
| 9.0 | -0.7645 | 4.2391 | 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