| Chain sequence(s) |
A: DNPADILVIAAYFLLVIGVGLWSMCRTNRGTVGGYFLAGRSMVWWPVGASLFASNIGSGHFVGLAGTGAASGLAVAGFEWNALFVVLLLGWLFAPVYLTAGVITMPQYLRKRFGGRRIRLYLSVLSLFLYIFTKISVDMFSGAVFIQQALGWNIYASVIALLGITMIYTVTGGLAALMYTDTVQTFVILGGACILMGYAFHEVGGYSGLFDKYLGAATSLTVSEDPAVGNISSFCYRPRPDSYHLLRHPVTGDLPWPALLLGLTIVSGWYWCSDQVIVQRCLAGKSLTHIKAGCILCGYLKLTPMFLMVMPGMISRILYPDEVACVVPEVCRRVCGTEVGCSNIAYPRLVVKLMPNGLRGLMLAVMLAALMSSLASIFNSSSTLFTMDIYTRLRPRAGDRELLLVGRLWVVFIVVVSVAWLPVVQAAQGGQLFDYIQAVSSYLAPPVSAVFVLALFVPRVNEQGAFWGLIGGLLMGLARLIPEFSFGSGSCVQPSACPAFLCGVHYLYFAIVLFFCSGLLTLTVSLCTAPIPRKHLHRLVFSLRHSKEEREDLDEDISEDPSWARVVNLNALLMMAVAVFLWGFYA
B: NLQPWMQGLIAVAVFLVLVAIAFAVNHFWC input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 5 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 all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[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 (00:10:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/95188fa7198d79d/tmp/folded.pdb (00:10:14)
[INFO] Main: Simulation completed successfully. (00:17:07)
|
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 |
|---|---|---|---|---|
| 21 | D | A | -1.8557 | |
| 22 | N | A | -0.7357 | |
| 23 | P | A | -0.3167 | |
| 24 | A | A | -0.0278 | |
| 25 | D | A | 0.0000 | |
| 26 | I | A | 1.8354 | |
| 27 | L | A | 1.9076 | |
| 28 | V | A | 0.7509 | |
| 29 | I | A | 0.4686 | |
| 30 | A | A | 0.2737 | |
| 31 | A | A | 0.2253 | |
| 32 | Y | A | 0.0000 | |
| 33 | F | A | 1.2261 | |
| 34 | L | A | 1.9094 | |
| 35 | L | A | 1.2482 | |
| 36 | V | A | 0.0000 | |
| 37 | I | A | 1.4732 | |
| 38 | G | A | 0.0905 | |
| 39 | V | A | 0.2479 | |
| 40 | G | A | 0.0000 | |
| 41 | L | A | 1.6052 | |
| 42 | W | A | 1.2833 | |
| 43 | S | A | 0.0000 | |
| 44 | M | A | 0.5116 | |
| 45 | C | A | 0.4351 | |
| 46 | R | A | -1.7128 | |
| 47 | T | A | -0.5506 | |
| 48 | N | A | -1.6080 | |
| 49 | R | A | -2.1267 | |
| 50 | G | A | -0.8074 | |
| 51 | T | A | -0.0906 | |
| 52 | V | A | 0.2329 | |
| 53 | G | A | -0.0975 | |
| 54 | G | A | 0.0000 | |
| 55 | Y | A | 0.0000 | |
| 56 | F | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | A | A | 0.0000 | |
| 59 | G | A | -0.5963 | |
| 60 | R | A | -0.7649 | |
| 61 | S | A | -0.4967 | |
| 62 | M | A | 0.0000 | |
| 63 | V | A | 0.8347 | |
| 64 | W | A | 0.7243 | |
| 65 | W | A | 0.5221 | |
| 66 | P | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | S | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | F | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | S | A | 0.0000 | |
| 75 | N | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | G | A | 0.0000 | |
| 78 | S | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | H | A | -0.1525 | |
| 81 | F | A | 0.0000 | |
| 82 | V | A | 0.0000 | |
| 83 | G | A | -0.0469 | |
| 84 | L | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | G | A | 0.0000 | |
| 87 | T | A | -0.0211 | |
| 88 | G | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | A | A | 0.0286 | |
| 91 | S | A | -0.0176 | |
| 92 | G | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | V | A | 0.1763 | |
| 96 | A | A | 0.0000 | |
| 97 | G | A | 0.0000 | |
| 98 | F | A | 0.3354 | |
| 99 | E | A | 0.0000 | |
| 100 | W | A | 0.0000 | |
| 101 | N | A | -0.1435 | |
| 102 | A | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | F | A | 0.9409 | |
| 105 | V | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | L | A | 0.2185 | |
| 108 | L | A | 0.3584 | |
| 109 | L | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | W | A | 0.2533 | |
| 112 | L | A | 0.3715 | |
| 113 | F | A | 0.0000 | |
| 114 | A | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | Y | A | 0.0000 | |
| 118 | L | A | 0.1735 | |
| 119 | T | A | 0.0000 | |
| 120 | A | A | 0.0000 | |
| 121 | G | A | -0.3026 | |
| 122 | V | A | 0.0000 | |
| 123 | I | A | 0.2530 | |
| 124 | T | A | 0.0000 | |
| 125 | M | A | 0.0000 | |
| 126 | P | A | 0.0000 | |
| 127 | Q | A | -0.2111 | |
| 128 | Y | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | R | A | -0.3879 | |
| 131 | K | A | -0.2671 | |
| 132 | R | A | 0.0000 | |
| 133 | F | A | 0.0000 | |
| 134 | G | A | -0.1327 | |
| 135 | G | A | -0.5993 | |
| 136 | R | A | -2.0773 | |
| 137 | R | A | -1.3663 | |
| 138 | I | A | 0.0000 | |
| 139 | R | A | 0.0000 | |
| 140 | L | A | 0.5381 | |
| 141 | Y | A | 0.2727 | |
| 142 | L | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | V | A | 0.4819 | |
| 145 | L | A | 0.0000 | |
| 146 | S | A | 0.0067 | |
| 147 | L | A | 0.4678 | |
| 148 | F | A | 1.7330 | |
| 149 | L | A | 0.0000 | |
| 150 | Y | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | F | A | 0.3880 | |
| 153 | T | A | 0.0000 | |
| 154 | K | A | 0.0000 | |
| 155 | I | A | 0.0000 | |
| 156 | S | A | 0.0000 | |
| 157 | V | A | 0.2410 | |
| 158 | D | A | 0.0000 | |
| 159 | M | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | S | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | A | A | 0.0000 | |
| 164 | V | A | 0.0678 | |
| 165 | F | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | Q | A | -1.3145 | |
| 168 | Q | A | -0.7227 | |
| 169 | A | A | 0.0338 | |
| 170 | L | A | 0.6083 | |
| 171 | G | A | -0.1143 | |
| 172 | W | A | 0.9410 | |
| 173 | N | A | -0.8273 | |
| 174 | I | A | 0.2057 | |
| 175 | Y | A | 0.7472 | |
| 176 | A | A | 0.1609 | |
| 177 | S | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | I | A | 0.8106 | |
| 180 | A | A | 0.2133 | |
| 181 | L | A | 0.1786 | |
| 182 | L | A | 0.0000 | |
| 183 | G | A | -0.0333 | |
| 184 | I | A | 0.8284 | |
| 185 | T | A | 0.0000 | |
| 186 | M | A | 0.5053 | |
| 187 | I | A | 2.0647 | |
| 188 | Y | A | 0.5196 | |
| 189 | T | A | 0.0000 | |
| 190 | V | A | 0.1863 | |
| 191 | T | A | -0.0042 | |
| 192 | G | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | M | A | 0.0000 | |
| 199 | Y | A | 0.2157 | |
| 200 | T | A | 0.0000 | |
| 201 | D | A | 0.0000 | |
| 202 | T | A | 0.0199 | |
| 203 | V | A | 0.1757 | |
| 204 | Q | A | 0.0000 | |
| 205 | T | A | 0.0000 | |
| 206 | F | A | 1.9410 | |
| 207 | V | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | L | A | 0.1984 | |
| 210 | G | A | -0.1354 | |
| 211 | G | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | C | A | 0.5084 | |
| 214 | I | A | 0.9384 | |
| 215 | L | A | 0.0000 | |
| 216 | M | A | 0.1372 | |
| 217 | G | A | 0.0303 | |
| 218 | Y | A | 0.5907 | |
| 219 | A | A | 0.0000 | |
| 220 | F | A | 0.0000 | |
| 221 | H | A | -1.3245 | |
| 222 | E | A | -2.0018 | |
| 223 | V | A | 0.0000 | |
| 224 | G | A | -0.4871 | |
| 225 | G | A | 0.0415 | |
| 226 | Y | A | 1.0715 | |
| 227 | S | A | -0.0157 | |
| 228 | G | A | -0.1586 | |
| 229 | L | A | 0.0000 | |
| 230 | F | A | 0.6098 | |
| 231 | D | A | -1.8107 | |
| 232 | K | A | -1.3715 | |
| 233 | Y | A | 0.0000 | |
| 234 | L | A | 0.5016 | |
| 235 | G | A | -0.3584 | |
| 236 | A | A | 0.0000 | |
| 237 | A | A | -0.1777 | |
| 238 | T | A | 0.0000 | |
| 239 | S | A | -0.0839 | |
| 240 | L | A | 0.6678 | |
| 241 | T | A | 0.4435 | |
| 242 | V | A | 1.7710 | |
| 243 | S | A | 0.0000 | |
| 244 | E | A | -2.1033 | |
| 245 | D | A | -1.9323 | |
| 246 | P | A | -0.5243 | |
| 247 | A | A | 0.1051 | |
| 248 | V | A | 0.5024 | |
| 249 | G | A | -0.2436 | |
| 250 | N | A | -1.2918 | |
| 251 | I | A | 0.0000 | |
| 252 | S | A | -0.0264 | |
| 253 | S | A | 0.2441 | |
| 254 | F | A | 1.9615 | |
| 255 | C | A | 0.6973 | |
| 256 | Y | A | -0.0814 | |
| 257 | R | A | -1.6713 | |
| 258 | P | A | 0.0000 | |
| 259 | R | A | -0.5998 | |
| 260 | P | A | -0.4110 | |
| 261 | D | A | -0.3523 | |
| 262 | S | A | 0.0000 | |
| 263 | Y | A | 0.0978 | |
| 264 | H | A | -0.6471 | |
| 265 | L | A | 0.0000 | |
| 266 | L | A | 0.6683 | |
| 267 | R | A | 0.0000 | |
| 268 | H | A | -0.9702 | |
| 269 | P | A | 0.0717 | |
| 270 | V | A | 1.7459 | |
| 271 | T | A | 0.2414 | |
| 272 | G | A | -0.3494 | |
| 273 | D | A | -0.9191 | |
| 274 | L | A | 0.0000 | |
| 275 | P | A | 0.0000 | |
| 276 | W | A | 0.6786 | |
| 277 | P | A | 0.0565 | |
| 278 | A | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | L | A | 1.1576 | |
| 281 | L | A | 1.1289 | |
| 282 | G | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | T | A | -0.0254 | |
| 285 | I | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | G | A | -0.0722 | |
| 289 | W | A | 0.0000 | |
| 290 | Y | A | 0.3074 | |
| 291 | W | A | 0.0000 | |
| 292 | C | A | 0.0000 | |
| 293 | S | A | 0.0000 | |
| 294 | D | A | 0.0000 | |
| 295 | Q | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | I | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | Q | A | 0.0000 | |
| 300 | R | A | 0.0000 | |
| 301 | C | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | G | A | 0.0000 | |
| 305 | K | A | -1.7367 | |
| 306 | S | A | -0.4022 | |
| 307 | L | A | 0.0000 | |
| 308 | T | A | -0.0463 | |
| 309 | H | A | -0.1430 | |
| 310 | I | A | 0.0000 | |
| 311 | K | A | 0.0000 | |
| 312 | A | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | C | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | L | A | 0.2397 | |
| 317 | C | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | Y | A | 0.4817 | |
| 320 | L | A | 0.2555 | |
| 321 | K | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | T | A | -0.0124 | |
| 324 | P | A | 0.0000 | |
| 325 | M | A | 0.0000 | |
| 326 | F | A | 0.3167 | |
| 327 | L | A | 0.0000 | |
| 328 | M | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | M | A | 0.0000 | |
| 331 | P | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | M | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | S | A | 0.0000 | |
| 336 | R | A | 0.0000 | |
| 337 | I | A | 0.3172 | |
| 338 | L | A | 0.4652 | |
| 339 | Y | A | 0.0000 | |
| 340 | P | A | -0.2277 | |
| 341 | D | A | -0.9896 | |
| 342 | E | A | -0.4974 | |
| 343 | V | A | 0.0000 | |
| 344 | A | A | -0.0003 | |
| 345 | C | A | 0.0000 | |
| 346 | V | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | P | A | -0.2033 | |
| 349 | E | A | -0.4610 | |
| 350 | V | A | 0.1447 | |
| 351 | C | A | 0.0000 | |
| 352 | R | A | -2.2944 | |
| 353 | R | A | -2.0714 | |
| 354 | V | A | 0.3154 | |
| 355 | C | A | 0.2844 | |
| 356 | G | A | -0.7371 | |
| 357 | T | A | 0.0000 | |
| 358 | E | A | -0.7057 | |
| 359 | V | A | 0.4592 | |
| 360 | G | A | 0.0620 | |
| 361 | C | A | 0.0000 | |
| 362 | S | A | -0.0598 | |
| 363 | N | A | -0.1359 | |
| 364 | I | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | Y | A | 0.0000 | |
| 367 | P | A | 0.0000 | |
| 368 | R | A | -0.2476 | |
| 369 | L | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | V | A | 0.5141 | |
| 372 | K | A | -1.5075 | |
| 373 | L | A | -0.0945 | |
| 374 | M | A | 0.0940 | |
| 375 | P | A | -0.3503 | |
| 376 | N | A | -0.7857 | |
| 377 | G | A | -0.1917 | |
| 378 | L | A | 0.2410 | |
| 379 | R | A | -0.2524 | |
| 380 | G | A | 0.0000 | |
| 381 | L | A | 0.3059 | |
| 382 | M | A | 0.0000 | |
| 383 | L | A | 0.1857 | |
| 384 | A | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | M | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | A | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | S | A | 0.0000 | |
| 394 | L | A | 0.0000 | |
| 395 | A | A | 0.0000 | |
| 396 | S | A | 0.0000 | |
| 397 | I | A | 0.0000 | |
| 398 | F | A | 0.0000 | |
| 399 | N | A | 0.0000 | |
| 400 | S | A | 0.0000 | |
| 401 | S | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | T | A | 0.0000 | |
| 404 | L | A | 0.0000 | |
| 405 | F | A | 0.3442 | |
| 406 | T | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | I | A | 0.3385 | |
| 410 | Y | A | 0.2306 | |
| 411 | T | A | -0.1507 | |
| 412 | R | A | -0.3399 | |
| 413 | L | A | 1.2016 | |
| 414 | R | A | -1.0601 | |
| 415 | P | A | -0.8306 | |
| 416 | R | A | -1.8880 | |
| 417 | A | A | -0.3900 | |
| 418 | G | A | -0.4594 | |
| 419 | D | A | -1.1144 | |
| 420 | R | A | -2.0709 | |
| 421 | E | A | -0.9379 | |
| 422 | L | A | 0.0425 | |
| 423 | L | A | 0.4138 | |
| 424 | L | A | 0.8981 | |
| 425 | V | A | 0.3408 | |
| 426 | G | A | 0.0000 | |
| 427 | R | A | -0.7604 | |
| 428 | L | A | 0.7869 | |
| 429 | W | A | 0.4650 | |
| 430 | V | A | 0.0000 | |
| 431 | V | A | 0.8320 | |
| 432 | F | A | 1.6738 | |
| 433 | I | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | V | A | 1.8302 | |
| 436 | V | A | 0.6442 | |
| 437 | S | A | 0.0000 | |
| 438 | V | A | 0.3123 | |
| 439 | A | A | 0.2314 | |
| 440 | W | A | 0.4802 | |
| 441 | L | A | 0.0000 | |
| 442 | P | A | 0.0729 | |
| 443 | V | A | 1.7407 | |
| 444 | V | A | 0.0000 | |
| 445 | Q | A | -0.6581 | |
| 446 | A | A | -0.0584 | |
| 447 | A | A | -0.0934 | |
| 448 | Q | A | -0.5951 | |
| 449 | G | A | 0.0000 | |
| 450 | G | A | -0.5307 | |
| 451 | Q | A | -0.5851 | |
| 452 | L | A | 0.0000 | |
| 453 | F | A | 0.0162 | |
| 454 | D | A | -1.6539 | |
| 455 | Y | A | 0.0509 | |
| 456 | I | A | 0.0000 | |
| 457 | Q | A | -0.1935 | |
| 458 | A | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | S | A | 0.0000 | |
| 461 | S | A | 0.0000 | |
| 462 | Y | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | 0.0000 | |
| 465 | P | A | 0.0000 | |
| 466 | P | A | 0.0000 | |
| 467 | V | A | 0.0000 | |
| 468 | S | A | 0.0000 | |
| 469 | A | A | 0.0000 | |
| 470 | V | A | 0.0000 | |
| 471 | F | A | 0.0000 | |
| 472 | V | A | 0.6581 | |
| 473 | L | A | 0.4347 | |
| 474 | A | A | 0.0000 | |
| 475 | L | A | 0.0000 | |
| 476 | F | A | 1.0059 | |
| 477 | V | A | 0.5549 | |
| 478 | P | A | -0.1767 | |
| 479 | R | A | -0.6611 | |
| 480 | V | A | 0.0000 | |
| 481 | N | A | 0.0000 | |
| 482 | E | A | -0.6611 | |
| 483 | Q | A | -0.3769 | |
| 484 | G | A | 0.0000 | |
| 485 | A | A | 0.0000 | |
| 486 | F | A | 0.4279 | |
| 487 | W | A | 0.7356 | |
| 488 | G | A | 0.0000 | |
| 489 | L | A | 0.0000 | |
| 490 | I | A | 0.4420 | |
| 491 | G | A | -0.0565 | |
| 492 | G | A | 0.0000 | |
| 493 | L | A | 0.6235 | |
| 494 | L | A | 1.6396 | |
| 495 | M | A | 0.4903 | |
| 496 | G | A | 0.0000 | |
| 497 | L | A | 0.4789 | |
| 498 | A | A | 0.1401 | |
| 499 | R | A | 0.0000 | |
| 500 | L | A | 0.6138 | |
| 501 | I | A | 2.0371 | |
| 502 | P | A | 0.2269 | |
| 503 | E | A | 0.0496 | |
| 504 | F | A | 1.8469 | |
| 505 | S | A | 0.3662 | |
| 506 | F | A | 1.1599 | |
| 507 | G | A | -0.1047 | |
| 508 | S | A | -0.3339 | |
| 509 | G | A | -0.4478 | |
| 510 | S | A | -0.0891 | |
| 511 | C | A | 0.4038 | |
| 512 | V | A | 0.0000 | |
| 513 | Q | A | -0.8616 | |
| 514 | P | A | -0.4776 | |
| 515 | S | A | -0.0937 | |
| 516 | A | A | 0.0764 | |
| 517 | C | A | 0.1529 | |
| 518 | P | A | -0.0273 | |
| 519 | A | A | 0.3428 | |
| 520 | F | A | 1.9792 | |
| 521 | L | A | 0.5643 | |
| 522 | C | A | 0.2683 | |
| 523 | G | A | -0.2395 | |
| 524 | V | A | 0.7481 | |
| 525 | H | A | -0.0534 | |
| 526 | Y | A | 0.0000 | |
| 527 | L | A | 0.0000 | |
| 528 | Y | A | 0.3451 | |
| 529 | F | A | 0.4172 | |
| 530 | A | A | 0.0000 | |
| 531 | I | A | 0.4520 | |
| 532 | V | A | 1.3723 | |
| 533 | L | A | 0.0000 | |
| 534 | F | A | 0.5542 | |
| 535 | F | A | 1.5625 | |
| 536 | C | A | 0.6676 | |
| 537 | S | A | 0.0000 | |
| 538 | G | A | 0.2319 | |
| 539 | L | A | 1.6479 | |
| 540 | L | A | 0.8828 | |
| 541 | T | A | 0.0000 | |
| 542 | L | A | 0.3721 | |
| 543 | T | A | 0.0445 | |
| 544 | V | A | 0.2279 | |
| 545 | S | A | 0.0000 | |
| 546 | L | A | 1.6797 | |
| 547 | C | A | 1.0069 | |
| 548 | T | A | 0.1230 | |
| 549 | A | A | 0.0081 | |
| 550 | P | A | -0.2005 | |
| 551 | I | A | 0.1580 | |
| 552 | P | A | -0.4825 | |
| 553 | R | A | -2.1149 | |
| 554 | K | A | -1.6488 | |
| 555 | H | A | -0.5289 | |
| 556 | L | A | 0.0000 | |
| 557 | H | A | 0.0000 | |
| 558 | R | A | 0.0000 | |
| 559 | L | A | 0.0000 | |
| 560 | V | A | 0.0000 | |
| 561 | F | A | 0.3633 | |
| 562 | S | A | -0.0995 | |
| 563 | L | A | 0.0707 | |
| 564 | R | A | -0.7261 | |
| 565 | H | A | -1.1027 | |
| 566 | S | A | -0.5223 | |
| 567 | K | A | -2.0378 | |
| 568 | E | A | -2.4663 | |
| 569 | E | A | -2.1940 | |
| 570 | R | A | -0.8789 | |
| 571 | E | A | -2.1917 | |
| 572 | D | A | -2.0196 | |
| 573 | L | A | -0.1191 | |
| 574 | D | A | -1.6916 | |
| 641 | E | A | -2.1439 | |
| 642 | D | A | -2.0605 | |
| 643 | I | A | -0.0491 | |
| 644 | S | A | -0.2401 | |
| 645 | E | A | -0.8324 | |
| 646 | D | A | -1.9210 | |
| 647 | P | A | -0.6056 | |
| 648 | S | A | -0.0550 | |
| 649 | W | A | 0.8143 | |
| 650 | A | A | -0.2210 | |
| 651 | R | A | -1.7001 | |
| 652 | V | A | 0.4684 | |
| 653 | V | A | 0.0000 | |
| 654 | N | A | -0.4866 | |
| 655 | L | A | 1.0446 | |
| 656 | N | A | -0.1373 | |
| 657 | A | A | 0.0000 | |
| 658 | L | A | 0.4887 | |
| 659 | L | A | 1.3215 | |
| 660 | M | A | 0.0000 | |
| 661 | M | A | 0.1367 | |
| 662 | A | A | 0.3457 | |
| 663 | V | A | 0.9986 | |
| 664 | A | A | 0.0000 | |
| 665 | V | A | 0.4715 | |
| 666 | F | A | 0.6753 | |
| 667 | L | A | 0.3722 | |
| 668 | W | A | 0.2428 | |
| 669 | G | A | 0.0550 | |
| 670 | F | A | 0.5825 | |
| 671 | Y | A | 0.0000 | |
| 672 | A | A | 0.0188 | |
| 26 | N | B | -0.9901 | |
| 27 | L | B | 1.0941 | |
| 28 | Q | B | -0.9312 | |
| 29 | P | B | -0.1137 | |
| 30 | W | B | 0.9236 | |
| 31 | M | B | 0.4744 | |
| 32 | Q | B | -0.0956 | |
| 33 | G | B | 0.0000 | |
| 34 | L | B | 1.4531 | |
| 35 | I | B | 2.0306 | |
| 36 | A | B | 0.4185 | |
| 37 | V | B | 0.4872 | |
| 38 | A | B | 0.5658 | |
| 39 | V | B | 1.4475 | |
| 40 | F | B | 0.0000 | |
| 41 | L | B | 1.3098 | |
| 42 | V | B | 2.2383 | |
| 43 | L | B | 1.9116 | |
| 44 | V | B | 0.5047 | |
| 45 | A | B | 0.4666 | |
| 46 | I | B | 2.0304 | |
| 47 | A | B | 0.7760 | |
| 48 | F | B | 1.8162 | |
| 49 | A | B | 0.7400 | |
| 50 | V | B | 0.5946 | |
| 51 | N | B | -0.9855 | |
| 52 | H | B | -0.8682 | |
| 53 | F | B | 1.9765 | |
| 54 | W | B | 1.6742 | |
| 55 | C | B | 0.7463 |
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 | 0.1981 | 4.5431 | View | CSV | PDB |
| 4.5 | 0.1871 | 4.5431 | View | CSV | PDB |
| 5.0 | 0.174 | 4.5431 | View | CSV | PDB |
| 5.5 | 0.1609 | 4.5431 | View | CSV | PDB |
| 6.0 | 0.1495 | 4.5431 | View | CSV | PDB |
| 6.5 | 0.1406 | 4.5431 | View | CSV | PDB |
| 7.0 | 0.134 | 4.5431 | View | CSV | PDB |
| 7.5 | 0.1292 | 4.5431 | View | CSV | PDB |
| 8.0 | 0.1258 | 4.5431 | View | CSV | PDB |
| 8.5 | 0.1238 | 4.5431 | View | CSV | PDB |
| 9.0 | 0.1238 | 4.5431 | 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