| Chain sequence(s) |
A: SLFLIESEPSTGASVSKNLTEIILIFSNDINKVSQLALTDLITDSDIQGIDYNIEGNKVIINNFSLEPTCNYRLSYEVIDIYDNHLQGYIEFLVNQSNYPQIPDQEVNHTILQAFYWEMNTGEYATEHPEEANLWNLLAERAPELAEAGFTAVWLPPANKGMAGIHDVGYGTYDLWDLGEFDQKGTVRTKYGTKGELENAIDALHNNDIKVYFDAVLNHRMGADYAETVLLDENSRDKPGQYIKAWTGFNFPGRNGEYSNFTWNGQCFDGTDWDDYSKESGKYLFDEKSWDWTYNWDEDYLMGADVDYENEAVQNDVIDWGQWIINNIDFDGFRLDAVKHIDYRFIDKWMSAVQNSSNRDVFFVGEAWVEDVDDLKGFLDTVGNPDLRVFDFPLRSFFVDMLNGAYMADLRNAGLVNSPGYENRAVTFVDNHDTDRDEGSYTVSIYSRKYQAYAYILTRAEGVPTVYWKDYYIWEMKEGLDKLLTARRYYAYGPGYEVDNNDADIYSYVRSGFPDVAGDGLVLMISDGTSGNVAGKWINSRQPDTEFYDLTGHIKEHVTTDSEGYGNFKVIKSEDKGWSIWVPVE
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/669ff5346331bae/tmp/folded.pdb (00:04:10)
[INFO] Main: Simulation completed successfully. (00:07:45)
|
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 |
|---|---|---|---|---|
| 15 | S | A | 0.2717 | |
| 16 | L | A | 0.0000 | |
| 17 | F | A | 1.9738 | |
| 18 | L | A | 1.5454 | |
| 19 | I | A | 1.5093 | |
| 20 | E | A | -1.0230 | |
| 21 | S | A | -1.3966 | |
| 22 | E | A | -2.2662 | |
| 23 | P | A | 0.0000 | |
| 24 | S | A | -1.3596 | |
| 25 | T | A | -0.8669 | |
| 26 | G | A | -0.8490 | |
| 27 | A | A | -1.0250 | |
| 28 | S | A | -1.0159 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -1.5552 | |
| 31 | K | A | -2.4452 | |
| 32 | N | A | -2.1358 | |
| 33 | L | A | -1.0710 | |
| 34 | T | A | -1.3103 | |
| 35 | E | A | -1.6530 | |
| 36 | I | A | 0.0000 | |
| 37 | I | A | -0.9421 | |
| 38 | L | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | S | A | 0.2900 | |
| 42 | N | A | -0.2424 | |
| 43 | D | A | -1.9251 | |
| 44 | I | A | 0.0000 | |
| 45 | N | A | -2.1596 | |
| 46 | K | A | -2.5592 | |
| 47 | V | A | -1.4197 | |
| 48 | S | A | -1.5780 | |
| 49 | Q | A | -1.6030 | |
| 50 | L | A | -0.6267 | |
| 51 | A | A | -0.8766 | |
| 52 | L | A | 0.0000 | |
| 53 | T | A | -1.5179 | |
| 54 | D | A | -1.3868 | |
| 55 | L | A | -1.1063 | |
| 56 | I | A | -0.5287 | |
| 57 | T | A | -1.1033 | |
| 58 | D | A | -2.0825 | |
| 59 | S | A | -1.9092 | |
| 60 | D | A | -2.4565 | |
| 61 | I | A | -1.3921 | |
| 62 | Q | A | -1.8273 | |
| 63 | G | A | -1.5546 | |
| 64 | I | A | -1.4369 | |
| 65 | D | A | -2.0749 | |
| 66 | Y | A | -0.7750 | |
| 67 | N | A | -1.4917 | |
| 68 | I | A | -1.7068 | |
| 69 | E | A | -2.6833 | |
| 70 | G | A | -2.1655 | |
| 71 | N | A | -1.8053 | |
| 72 | K | A | -1.8865 | |
| 73 | V | A | 0.0000 | |
| 74 | I | A | -0.9187 | |
| 75 | I | A | 0.0000 | |
| 76 | N | A | -1.8245 | |
| 77 | N | A | -2.0871 | |
| 78 | F | A | -1.4399 | |
| 79 | S | A | -1.2506 | |
| 80 | L | A | 0.0000 | |
| 81 | E | A | -2.4651 | |
| 82 | P | A | -1.8918 | |
| 83 | T | A | 0.0000 | |
| 84 | C | A | -0.8170 | |
| 85 | N | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | R | A | -0.8710 | |
| 88 | L | A | 0.0000 | |
| 89 | S | A | -0.2084 | |
| 90 | Y | A | 0.0000 | |
| 91 | E | A | -1.4039 | |
| 92 | V | A | 0.0000 | |
| 93 | I | A | -1.7146 | |
| 94 | D | A | 0.0000 | |
| 95 | I | A | 0.3088 | |
| 96 | Y | A | 0.5217 | |
| 97 | D | A | -1.4968 | |
| 98 | N | A | -1.0325 | |
| 99 | H | A | -1.4673 | |
| 100 | L | A | -0.7264 | |
| 101 | Q | A | -1.0768 | |
| 102 | G | A | 0.2262 | |
| 103 | Y | A | 0.7004 | |
| 104 | I | A | 0.0000 | |
| 105 | E | A | -0.4900 | |
| 106 | F | A | 0.0000 | |
| 107 | L | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | N | A | -1.7319 | |
| 110 | Q | A | -1.5725 | |
| 111 | S | A | -1.4544 | |
| 112 | N | A | -1.8011 | |
| 113 | Y | A | -1.0181 | |
| 114 | P | A | 0.0000 | |
| 115 | Q | A | -1.2465 | |
| 116 | I | A | -1.2327 | |
| 117 | P | A | -1.7341 | |
| 118 | D | A | -2.7736 | |
| 119 | Q | A | -2.5875 | |
| 120 | E | A | -2.2746 | |
| 121 | V | A | -1.1428 | |
| 122 | N | A | -0.7709 | |
| 123 | H | A | -0.4415 | |
| 124 | T | A | 0.0000 | |
| 125 | I | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | Q | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | F | A | 0.0000 | |
| 130 | Y | A | 0.0000 | |
| 131 | W | A | -0.4764 | |
| 132 | E | A | -1.0637 | |
| 133 | M | A | 0.0000 | |
| 134 | N | A | -1.6514 | |
| 135 | T | A | -1.1666 | |
| 136 | G | A | -1.7341 | |
| 137 | E | A | -2.6899 | |
| 138 | Y | A | -1.8396 | |
| 139 | A | A | -1.8133 | |
| 140 | T | A | -1.9981 | |
| 141 | E | A | -2.6678 | |
| 142 | H | A | -1.7835 | |
| 143 | P | A | -1.5774 | |
| 144 | E | A | -1.5298 | |
| 145 | E | A | 0.0000 | |
| 146 | A | A | -0.8894 | |
| 147 | N | A | -1.1649 | |
| 148 | L | A | 0.0000 | |
| 149 | W | A | 0.0000 | |
| 150 | N | A | -2.0511 | |
| 151 | L | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | A | A | -2.2366 | |
| 154 | E | A | -2.3697 | |
| 155 | R | A | -1.6651 | |
| 156 | A | A | 0.0000 | |
| 157 | P | A | -2.1277 | |
| 158 | E | A | -2.4174 | |
| 159 | L | A | 0.0000 | |
| 160 | A | A | -1.9922 | |
| 161 | E | A | -2.4741 | |
| 162 | A | A | -1.5952 | |
| 163 | G | A | -1.0599 | |
| 164 | F | A | 0.0000 | |
| 165 | T | A | -0.9147 | |
| 166 | A | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | W | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | P | A | 0.0000 | |
| 171 | P | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | N | A | 0.0000 | |
| 174 | K | A | 0.0000 | |
| 175 | G | A | 0.0000 | |
| 176 | M | A | 0.4473 | |
| 177 | A | A | 0.0262 | |
| 178 | G | A | 0.0000 | |
| 179 | I | A | 0.4676 | |
| 180 | H | A | -0.5772 | |
| 181 | D | A | -0.1000 | |
| 182 | V | A | 0.1064 | |
| 183 | G | A | 0.0000 | |
| 184 | Y | A | 0.2538 | |
| 185 | G | A | 0.3318 | |
| 186 | T | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | D | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | W | A | 0.0000 | |
| 191 | D | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | E | A | -0.8116 | |
| 195 | F | A | -0.9336 | |
| 196 | D | A | -1.6523 | |
| 197 | Q | A | 0.0000 | |
| 198 | K | A | -0.7559 | |
| 199 | G | A | -0.6298 | |
| 200 | T | A | -0.3194 | |
| 201 | V | A | 0.1294 | |
| 202 | R | A | -0.2207 | |
| 203 | T | A | 0.0000 | |
| 204 | K | A | -0.1393 | |
| 205 | Y | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | T | A | -0.9474 | |
| 208 | K | A | -1.1199 | |
| 209 | G | A | -1.6591 | |
| 210 | E | A | -2.1483 | |
| 211 | L | A | 0.0000 | |
| 212 | E | A | -2.5277 | |
| 213 | N | A | -2.9118 | |
| 214 | A | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | D | A | -3.4159 | |
| 217 | A | A | -2.6696 | |
| 218 | L | A | 0.0000 | |
| 219 | H | A | -2.7404 | |
| 220 | N | A | -2.7483 | |
| 221 | N | A | -2.7196 | |
| 222 | D | A | -2.8520 | |
| 223 | I | A | 0.0000 | |
| 224 | K | A | -1.6786 | |
| 225 | V | A | 0.0000 | |
| 226 | Y | A | 0.0000 | |
| 227 | F | A | 0.0000 | |
| 228 | D | A | 0.0000 | |
| 229 | A | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | N | A | 0.0000 | |
| 233 | H | A | 0.0000 | |
| 234 | R | A | 0.0000 | |
| 235 | M | A | 0.4302 | |
| 236 | G | A | 0.2000 | |
| 237 | A | A | 0.0575 | |
| 238 | D | A | -0.5053 | |
| 239 | Y | A | 0.3723 | |
| 240 | A | A | 0.1683 | |
| 241 | E | A | -0.2025 | |
| 242 | T | A | 0.3161 | |
| 243 | V | A | 0.1925 | |
| 244 | L | A | -0.1310 | |
| 245 | L | A | 0.0000 | |
| 246 | D | A | -3.0709 | |
| 247 | E | A | -3.6726 | |
| 248 | N | A | -3.3114 | |
| 249 | S | A | 0.0000 | |
| 250 | R | A | -2.8887 | |
| 251 | D | A | -2.3284 | |
| 252 | K | A | -1.8224 | |
| 253 | P | A | -2.4161 | |
| 254 | G | A | -1.6935 | |
| 255 | Q | A | -0.9728 | |
| 256 | Y | A | 0.8900 | |
| 257 | I | A | 0.0000 | |
| 258 | K | A | 0.1184 | |
| 259 | A | A | 0.0000 | |
| 260 | W | A | 0.5260 | |
| 261 | T | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | F | A | 0.0000 | |
| 264 | N | A | -1.6210 | |
| 265 | F | A | 0.0000 | |
| 266 | P | A | -1.4660 | |
| 267 | G | A | -1.6133 | |
| 268 | R | A | 0.0000 | |
| 269 | N | A | -2.3320 | |
| 270 | G | A | -2.2739 | |
| 271 | E | A | -2.1798 | |
| 272 | Y | A | -0.9089 | |
| 273 | S | A | -1.3261 | |
| 274 | N | A | -1.8982 | |
| 275 | F | A | -0.8017 | |
| 276 | T | A | -0.7044 | |
| 277 | W | A | 0.0000 | |
| 278 | N | A | -0.7765 | |
| 279 | G | A | -0.6926 | |
| 280 | Q | A | -1.6856 | |
| 281 | C | A | 0.0000 | |
| 282 | F | A | 0.0000 | |
| 283 | D | A | 0.0000 | |
| 284 | G | A | 0.0000 | |
| 285 | T | A | 0.0000 | |
| 286 | D | A | -0.5196 | |
| 287 | W | A | -0.6969 | |
| 288 | D | A | 0.0000 | |
| 289 | D | A | -0.8254 | |
| 290 | Y | A | 0.3407 | |
| 291 | S | A | -1.0143 | |
| 292 | K | A | -2.3733 | |
| 293 | E | A | -2.6221 | |
| 294 | S | A | -1.6571 | |
| 295 | G | A | -1.2738 | |
| 296 | K | A | -0.8986 | |
| 297 | Y | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | D | A | -2.6237 | |
| 301 | E | A | -3.0132 | |
| 302 | K | A | -2.0206 | |
| 303 | S | A | -1.1217 | |
| 304 | W | A | -0.1041 | |
| 305 | D | A | 0.0000 | |
| 306 | W | A | 0.8672 | |
| 307 | T | A | 0.4738 | |
| 308 | Y | A | 0.0473 | |
| 309 | N | A | -0.1280 | |
| 310 | W | A | 0.5024 | |
| 311 | D | A | -0.6498 | |
| 312 | E | A | -0.3893 | |
| 313 | D | A | 0.0000 | |
| 314 | Y | A | 0.1197 | |
| 315 | L | A | 0.6763 | |
| 316 | M | A | 0.7599 | |
| 317 | G | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | V | A | 0.0000 | |
| 321 | D | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | E | A | -2.3846 | |
| 324 | N | A | -2.3942 | |
| 325 | E | A | -2.8031 | |
| 326 | A | A | -1.6081 | |
| 327 | V | A | 0.0000 | |
| 328 | Q | A | -2.2018 | |
| 329 | N | A | -2.3025 | |
| 330 | D | A | -1.7925 | |
| 331 | V | A | 0.0000 | |
| 332 | I | A | -1.4405 | |
| 333 | D | A | -2.1657 | |
| 334 | W | A | 0.0000 | |
| 335 | G | A | 0.0000 | |
| 336 | Q | A | -1.6339 | |
| 337 | W | A | 0.0000 | |
| 338 | I | A | 0.0000 | |
| 339 | I | A | 0.0000 | |
| 340 | N | A | -1.9853 | |
| 341 | N | A | -1.9042 | |
| 342 | I | A | -1.2909 | |
| 343 | D | A | -1.9102 | |
| 344 | F | A | 0.0000 | |
| 345 | D | A | 0.0000 | |
| 346 | G | A | 0.0000 | |
| 347 | F | A | 0.0000 | |
| 348 | R | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | D | A | -0.2513 | |
| 351 | A | A | 0.0000 | |
| 352 | V | A | 0.0000 | |
| 353 | K | A | -0.1859 | |
| 354 | H | A | -0.0314 | |
| 355 | I | A | 0.0000 | |
| 356 | D | A | 0.0000 | |
| 357 | Y | A | -0.0665 | |
| 358 | R | A | -0.9561 | |
| 359 | F | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | D | A | -1.5478 | |
| 362 | K | A | -1.6032 | |
| 363 | W | A | 0.0000 | |
| 364 | M | A | 0.0000 | |
| 365 | S | A | -1.1788 | |
| 366 | A | A | -1.1703 | |
| 367 | V | A | 0.0000 | |
| 368 | Q | A | -1.7873 | |
| 369 | N | A | -2.0065 | |
| 370 | S | A | -1.5052 | |
| 371 | S | A | -1.8310 | |
| 372 | N | A | -2.3862 | |
| 373 | R | A | -2.2648 | |
| 374 | D | A | -2.5962 | |
| 375 | V | A | 0.0000 | |
| 376 | F | A | -0.6278 | |
| 377 | F | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | G | A | 0.0000 | |
| 380 | E | A | -0.2869 | |
| 381 | A | A | 0.0000 | |
| 382 | W | A | -0.4792 | |
| 383 | V | A | -1.5567 | |
| 384 | E | A | -2.8811 | |
| 385 | D | A | -3.3249 | |
| 386 | V | A | -2.2205 | |
| 387 | D | A | -2.9741 | |
| 388 | D | A | -2.8968 | |
| 389 | L | A | 0.0000 | |
| 390 | K | A | -1.9181 | |
| 391 | G | A | -1.6804 | |
| 392 | F | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | D | A | -2.1795 | |
| 395 | T | A | -1.1122 | |
| 396 | V | A | 0.0000 | |
| 397 | G | A | -1.4441 | |
| 398 | N | A | 0.0000 | |
| 399 | P | A | -1.1661 | |
| 400 | D | A | -1.3742 | |
| 401 | L | A | 0.0000 | |
| 402 | R | A | -1.1272 | |
| 403 | V | A | 0.0000 | |
| 404 | F | A | 0.0000 | |
| 405 | D | A | 0.0000 | |
| 406 | F | A | 0.0000 | |
| 407 | P | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | R | A | 0.0000 | |
| 410 | S | A | -0.9212 | |
| 411 | F | A | -0.6021 | |
| 412 | F | A | 0.0000 | |
| 413 | V | A | -0.1374 | |
| 414 | D | A | -1.7137 | |
| 415 | M | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | N | A | -1.8329 | |
| 418 | G | A | -1.2694 | |
| 419 | A | A | -0.6923 | |
| 420 | Y | A | 0.1615 | |
| 421 | M | A | 0.0000 | |
| 422 | A | A | -1.8022 | |
| 423 | D | A | -2.2834 | |
| 424 | L | A | 0.0000 | |
| 425 | R | A | -2.4592 | |
| 426 | N | A | -2.4579 | |
| 427 | A | A | -1.5063 | |
| 428 | G | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | V | A | 0.0000 | |
| 431 | N | A | -1.2907 | |
| 432 | S | A | 0.0000 | |
| 433 | P | A | -0.8522 | |
| 434 | G | A | -0.9013 | |
| 435 | Y | A | -0.9676 | |
| 436 | E | A | -1.5441 | |
| 437 | N | A | -2.0362 | |
| 438 | R | A | -1.5876 | |
| 439 | A | A | 0.0000 | |
| 440 | V | A | 0.0000 | |
| 441 | T | A | 0.0000 | |
| 442 | F | A | 0.0000 | |
| 443 | V | A | 0.0000 | |
| 444 | D | A | 0.0000 | |
| 445 | N | A | 0.0000 | |
| 446 | H | A | 0.0000 | |
| 447 | D | A | -0.1588 | |
| 448 | T | A | 0.0000 | |
| 449 | D | A | 0.0000 | |
| 450 | R | A | -1.5147 | |
| 451 | D | A | -2.9899 | |
| 452 | E | A | -2.8832 | |
| 453 | G | A | -1.6035 | |
| 454 | S | A | -0.5598 | |
| 455 | Y | A | 1.0924 | |
| 456 | T | A | 1.1843 | |
| 457 | V | A | 1.9046 | |
| 458 | S | A | 1.0245 | |
| 459 | I | A | 0.0000 | |
| 460 | Y | A | 1.5973 | |
| 461 | S | A | 0.0573 | |
| 462 | R | A | 0.0000 | |
| 463 | K | A | 0.0000 | |
| 464 | Y | A | -0.2751 | |
| 465 | Q | A | 0.0000 | |
| 466 | A | A | 0.0000 | |
| 467 | Y | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | Y | A | 0.0000 | |
| 470 | I | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | T | A | 0.0000 | |
| 473 | R | A | 0.0000 | |
| 474 | A | A | -0.6371 | |
| 475 | E | A | -1.3780 | |
| 476 | G | A | -1.1973 | |
| 477 | V | A | 0.0000 | |
| 478 | P | A | 0.0000 | |
| 479 | T | A | 0.0000 | |
| 480 | V | A | 0.0000 | |
| 481 | Y | A | 0.0000 | |
| 482 | W | A | 0.0000 | |
| 483 | K | A | 0.0000 | |
| 484 | D | A | 0.0000 | |
| 485 | Y | A | 0.0000 | |
| 486 | Y | A | -0.4772 | |
| 487 | I | A | -0.3130 | |
| 488 | W | A | -0.2650 | |
| 489 | E | A | -1.9270 | |
| 490 | M | A | -1.5241 | |
| 491 | K | A | -2.2883 | |
| 492 | E | A | -2.8543 | |
| 493 | G | A | 0.0000 | |
| 494 | L | A | 0.0000 | |
| 495 | D | A | -1.7915 | |
| 496 | K | A | -1.3350 | |
| 497 | L | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | T | A | -0.7371 | |
| 500 | A | A | 0.0000 | |
| 501 | R | A | 0.0000 | |
| 502 | R | A | -0.5910 | |
| 503 | Y | A | -0.0757 | |
| 504 | Y | A | 0.0000 | |
| 505 | A | A | 0.0000 | |
| 506 | Y | A | 0.0000 | |
| 507 | G | A | -0.0511 | |
| 508 | P | A | -0.2689 | |
| 509 | G | A | -0.2732 | |
| 510 | Y | A | -0.3887 | |
| 511 | E | A | -1.0091 | |
| 512 | V | A | -1.2345 | |
| 513 | D | A | -2.3541 | |
| 514 | N | A | -2.2144 | |
| 515 | N | A | -2.0033 | |
| 516 | D | A | -1.4507 | |
| 517 | A | A | -0.4598 | |
| 518 | D | A | -0.7970 | |
| 519 | I | A | 0.0000 | |
| 520 | Y | A | 0.0000 | |
| 521 | S | A | 0.0000 | |
| 522 | Y | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | R | A | 0.0000 | |
| 525 | S | A | -0.6641 | |
| 526 | G | A | 0.0000 | |
| 527 | F | A | -0.2943 | |
| 528 | P | A | -0.9271 | |
| 529 | D | A | -1.6421 | |
| 530 | V | A | -0.8081 | |
| 531 | A | A | -0.7258 | |
| 532 | G | A | -0.9387 | |
| 533 | D | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | L | A | 0.0000 | |
| 536 | V | A | 0.0000 | |
| 537 | L | A | 0.0000 | |
| 538 | M | A | 0.0000 | |
| 539 | I | A | 0.0000 | |
| 540 | S | A | 0.0000 | |
| 541 | D | A | 0.0000 | |
| 542 | G | A | 0.0000 | |
| 543 | T | A | -1.2926 | |
| 544 | S | A | -0.7061 | |
| 545 | G | A | -1.2182 | |
| 546 | N | A | -0.5300 | |
| 547 | V | A | 0.7645 | |
| 548 | A | A | 0.0174 | |
| 549 | G | A | -0.2120 | |
| 550 | K | A | -0.3860 | |
| 551 | W | A | 0.2499 | |
| 552 | I | A | 0.0000 | |
| 553 | N | A | -1.2348 | |
| 554 | S | A | 0.0000 | |
| 555 | R | A | -2.4892 | |
| 556 | Q | A | -2.3628 | |
| 557 | P | A | -2.9472 | |
| 558 | D | A | -3.3506 | |
| 559 | T | A | -2.2134 | |
| 560 | E | A | -1.8753 | |
| 561 | F | A | 0.0000 | |
| 562 | Y | A | 0.0000 | |
| 563 | D | A | 0.0000 | |
| 564 | L | A | 0.0000 | |
| 565 | T | A | 0.0000 | |
| 566 | G | A | -0.6524 | |
| 567 | H | A | -0.6131 | |
| 568 | I | A | 0.0000 | |
| 569 | K | A | -1.1744 | |
| 570 | E | A | -1.6282 | |
| 571 | H | A | -1.0766 | |
| 572 | V | A | 0.0000 | |
| 573 | T | A | -1.6651 | |
| 574 | T | A | 0.0000 | |
| 575 | D | A | -3.3383 | |
| 576 | S | A | -2.7513 | |
| 577 | E | A | -3.1745 | |
| 578 | G | A | 0.0000 | |
| 579 | Y | A | -1.4666 | |
| 580 | G | A | 0.0000 | |
| 581 | N | A | -0.7884 | |
| 582 | F | A | 0.0000 | |
| 583 | K | A | -0.6067 | |
| 584 | V | A | 0.0000 | |
| 585 | I | A | -0.4627 | |
| 586 | K | A | -1.1405 | |
| 587 | S | A | -1.6639 | |
| 588 | E | A | -2.1668 | |
| 589 | D | A | -2.7706 | |
| 590 | K | A | -2.2309 | |
| 591 | G | A | 0.0000 | |
| 592 | W | A | 0.0000 | |
| 593 | S | A | 0.0000 | |
| 594 | I | A | 0.0000 | |
| 595 | W | A | 0.0000 | |
| 596 | V | A | 0.0000 | |
| 597 | P | A | 0.0000 | |
| 598 | V | A | -1.0542 | |
| 599 | E | A | -2.0435 |
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 | -0.2059 | 4.1271 | View | CSV | PDB |
| 4.5 | -0.2906 | 4.1013 | View | CSV | PDB |
| 5.0 | -0.3998 | 4.0632 | View | CSV | PDB |
| 5.5 | -0.5185 | 4.0242 | View | CSV | PDB |
| 6.0 | -0.6318 | 3.9954 | View | CSV | PDB |
| 6.5 | -0.7279 | 3.9774 | View | CSV | PDB |
| 7.0 | -0.802 | 3.9667 | View | CSV | PDB |
| 7.5 | -0.858 | 3.9611 | View | CSV | PDB |
| 8.0 | -0.9024 | 3.9589 | View | CSV | PDB |
| 8.5 | -0.9367 | 3.9581 | View | CSV | PDB |
| 9.0 | -0.9579 | 3.9579 | 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