| Chain sequence(s) | MSKGPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVAMNPTNTVFDAKRLIGRRFDDAVVQSDMKHWPFMVVNDAGRPKVQVEYKGETKSFYPEEVSSMVLTKMKEIAEAYLGKTVTNAVVTVPAYFNDSQRQATKDAGTIAGLNVLRIINEPTAAAIAYGLDKKVGAERNVLIFDLGGGTFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVNHFIAEFKRKHKKDISENKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGIDFYTSITRARFEELNADLFRGTLDPVEKALRDAKLDKSQIHDIVLVGGSTRIPKIQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAILSGDKSENVQDLLLLDVTPLSLGIETAGGVMTVLIKRNTTIPTKQTQTFTTYSDNQPGVLIQVYEGERAMTKDNNLLGKFELTGIPPAPRGVPQIEVTFDIDANGILNVSAVDKSTGKENKITITNDKGRLSKEDIERMVQEAEKYKAEDEKQRDKVSSKNSLESYAFNMKATVEDEKLQGKINDEDKQKILDKCNEIISWLDKNQTAEKEEFEHQQKELEKVCNPIITKLYQSAGGMPGGMPGGFPGGGAPPSGGASSGPTIEEVD input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[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 (00:25:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3a581d056746a2/tmp/folded.pdb (00:25:58)
[INFO] Main: Simulation completed successfully. (00:36:53)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.4607 | |
| 2 | S | A | -0.5594 | |
| 3 | K | A | -1.6443 | |
| 4 | G | A | -1.1840 | |
| 5 | P | A | -0.9436 | |
| 6 | A | A | -0.3180 | |
| 7 | V | A | 0.0000 | |
| 8 | G | A | 0.0000 | |
| 9 | I | A | 0.0000 | |
| 10 | D | A | -0.1986 | |
| 11 | L | A | 0.0000 | |
| 12 | G | A | -0.0154 | |
| 13 | T | A | 0.0000 | |
| 14 | T | A | 0.1738 | |
| 15 | Y | A | 0.1952 | |
| 16 | S | A | 0.0000 | |
| 17 | C | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | G | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | Q | A | -1.6046 | |
| 23 | H | A | -1.7163 | |
| 24 | G | A | -2.2192 | |
| 25 | K | A | -1.9241 | |
| 26 | V | A | -0.9999 | |
| 27 | E | A | -1.1093 | |
| 28 | I | A | -0.5881 | |
| 29 | I | A | 0.0000 | |
| 30 | A | A | -1.5636 | |
| 31 | N | A | 0.0000 | |
| 32 | D | A | -2.7333 | |
| 33 | Q | A | -2.6969 | |
| 34 | G | A | -2.2200 | |
| 35 | N | A | -2.3421 | |
| 36 | R | A | -2.3619 | |
| 37 | T | A | -1.2032 | |
| 38 | T | A | 0.0000 | |
| 39 | P | A | 0.0000 | |
| 40 | S | A | 0.0000 | |
| 41 | Y | A | 0.0718 | |
| 42 | V | A | 0.0000 | |
| 43 | A | A | 0.0000 | |
| 44 | F | A | 0.0000 | |
| 45 | T | A | -1.7950 | |
| 46 | D | A | -3.2275 | |
| 47 | T | A | -1.7816 | |
| 48 | E | A | -1.6764 | |
| 49 | R | A | 0.0000 | |
| 50 | L | A | -0.0598 | |
| 51 | I | A | 0.2026 | |
| 52 | G | A | 0.0000 | |
| 53 | D | A | -1.0583 | |
| 54 | A | A | -0.6122 | |
| 55 | A | A | 0.0000 | |
| 56 | K | A | -0.9384 | |
| 57 | N | A | -1.3970 | |
| 58 | Q | A | -0.5889 | |
| 59 | V | A | 0.0000 | |
| 60 | A | A | -0.5154 | |
| 61 | M | A | 0.2687 | |
| 62 | N | A | -0.2967 | |
| 63 | P | A | 0.0000 | |
| 64 | T | A | -0.3949 | |
| 65 | N | A | -0.3615 | |
| 66 | T | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | D | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | K | A | 0.0000 | |
| 72 | R | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | G | A | -0.7864 | |
| 76 | R | A | -1.5514 | |
| 77 | R | A | -2.9752 | |
| 78 | F | A | -2.2339 | |
| 79 | D | A | -2.7875 | |
| 80 | D | A | -1.9744 | |
| 81 | A | A | -0.8394 | |
| 82 | V | A | -0.3198 | |
| 83 | V | A | 0.0000 | |
| 84 | Q | A | -1.3914 | |
| 85 | S | A | -0.8070 | |
| 86 | D | A | 0.0000 | |
| 87 | M | A | -0.6982 | |
| 88 | K | A | -1.9111 | |
| 89 | H | A | -1.5748 | |
| 90 | W | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | F | A | 0.0000 | |
| 93 | M | A | 0.8074 | |
| 94 | V | A | 0.0000 | |
| 95 | V | A | -0.4272 | |
| 96 | N | A | -2.1463 | |
| 97 | D | A | -1.7326 | |
| 98 | A | A | -1.1953 | |
| 99 | G | A | -1.9718 | |
| 100 | R | A | 0.0000 | |
| 101 | P | A | 0.0000 | |
| 102 | K | A | -0.8151 | |
| 103 | V | A | 0.0000 | |
| 104 | Q | A | -0.5406 | |
| 105 | V | A | 0.0000 | |
| 106 | E | A | -2.8882 | |
| 107 | Y | A | 0.0000 | |
| 108 | K | A | -3.4914 | |
| 109 | G | A | -2.9264 | |
| 110 | E | A | -3.2888 | |
| 111 | T | A | -2.0905 | |
| 112 | K | A | -1.7291 | |
| 113 | S | A | -0.8231 | |
| 114 | F | A | 0.0000 | |
| 115 | Y | A | -0.1491 | |
| 116 | P | A | 0.0000 | |
| 117 | E | A | 0.0000 | |
| 118 | E | A | -0.2278 | |
| 119 | V | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | M | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | T | A | 0.0000 | |
| 126 | K | A | -0.3660 | |
| 127 | M | A | 0.0000 | |
| 128 | K | A | -0.4764 | |
| 129 | E | A | -0.8179 | |
| 130 | I | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | E | A | -0.8293 | |
| 133 | A | A | -0.3792 | |
| 134 | Y | A | 0.4039 | |
| 135 | L | A | -0.2662 | |
| 136 | G | A | -0.9843 | |
| 137 | K | A | -1.8959 | |
| 138 | T | A | -1.1772 | |
| 139 | V | A | 0.0000 | |
| 140 | T | A | -0.9871 | |
| 141 | N | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | T | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | Y | A | 0.0723 | |
| 150 | F | A | 0.0000 | |
| 151 | N | A | -0.3937 | |
| 152 | D | A | -0.3317 | |
| 153 | S | A | -1.1357 | |
| 154 | Q | A | 0.0000 | |
| 155 | R | A | -0.4355 | |
| 156 | Q | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | K | A | -0.7179 | |
| 160 | D | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | T | A | -0.7171 | |
| 164 | I | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | G | A | -0.9116 | |
| 167 | L | A | 0.0000 | |
| 168 | N | A | -1.2349 | |
| 169 | V | A | -0.5065 | |
| 170 | L | A | 0.0045 | |
| 171 | R | A | -0.2589 | |
| 172 | I | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | N | A | 0.0000 | |
| 175 | E | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | T | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | A | A | -0.2917 | |
| 183 | Y | A | 0.0000 | |
| 184 | G | A | 0.0000 | |
| 185 | L | A | -1.4379 | |
| 186 | D | A | -2.5535 | |
| 187 | K | A | -2.3747 | |
| 188 | K | A | -2.8422 | |
| 189 | V | A | -2.2672 | |
| 190 | G | A | -1.9608 | |
| 191 | A | A | -1.8542 | |
| 192 | E | A | -2.6806 | |
| 193 | R | A | -2.1430 | |
| 194 | N | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | D | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | G | A | -0.2643 | |
| 202 | G | A | -0.2056 | |
| 203 | G | A | 0.0000 | |
| 204 | T | A | -0.4056 | |
| 205 | F | A | 0.0000 | |
| 206 | D | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | T | A | -1.1274 | |
| 212 | I | A | 0.0000 | |
| 213 | E | A | -2.5966 | |
| 214 | D | A | -3.0223 | |
| 215 | G | A | -1.8215 | |
| 216 | I | A | -0.5666 | |
| 217 | F | A | 0.0000 | |
| 218 | E | A | -0.6079 | |
| 219 | V | A | 0.0000 | |
| 220 | K | A | -1.1967 | |
| 221 | S | A | 0.0000 | |
| 222 | T | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | G | A | -0.8470 | |
| 225 | D | A | -1.2397 | |
| 226 | T | A | -0.4498 | |
| 227 | H | A | -0.4740 | |
| 228 | L | A | 0.0000 | |
| 229 | G | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | E | A | -0.6258 | |
| 232 | D | A | -0.6089 | |
| 233 | F | A | 0.0000 | |
| 234 | D | A | 0.0000 | |
| 235 | N | A | -1.0709 | |
| 236 | R | A | -1.1029 | |
| 237 | M | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | N | A | -1.4626 | |
| 240 | H | A | -0.8422 | |
| 241 | F | A | 0.0000 | |
| 242 | I | A | -1.2187 | |
| 243 | A | A | -1.8084 | |
| 244 | E | A | -2.0843 | |
| 245 | F | A | 0.0000 | |
| 246 | K | A | -3.5457 | |
| 247 | R | A | -3.9161 | |
| 248 | K | A | -3.5409 | |
| 249 | H | A | -3.0099 | |
| 250 | K | A | -3.6919 | |
| 251 | K | A | -3.0123 | |
| 252 | D | A | -2.5527 | |
| 253 | I | A | 0.0000 | |
| 254 | S | A | -2.0187 | |
| 255 | E | A | -2.7407 | |
| 256 | N | A | -2.4195 | |
| 257 | K | A | -2.4464 | |
| 258 | R | A | -1.9189 | |
| 259 | A | A | 0.0000 | |
| 260 | V | A | -1.2535 | |
| 261 | R | A | 0.0000 | |
| 262 | R | A | -0.7838 | |
| 263 | L | A | 0.0000 | |
| 264 | R | A | 0.0000 | |
| 265 | T | A | -0.7332 | |
| 266 | A | A | -1.3951 | |
| 267 | C | A | 0.0000 | |
| 268 | E | A | -1.8280 | |
| 269 | R | A | -2.7350 | |
| 270 | A | A | 0.0000 | |
| 271 | K | A | -1.9945 | |
| 272 | R | A | -2.9158 | |
| 273 | T | A | -1.8737 | |
| 274 | L | A | 0.0000 | |
| 275 | S | A | -1.3687 | |
| 276 | S | A | -1.2283 | |
| 277 | S | A | -1.1485 | |
| 278 | T | A | -0.9266 | |
| 279 | Q | A | -1.4930 | |
| 280 | A | A | 0.0000 | |
| 281 | S | A | -0.9441 | |
| 282 | I | A | 0.0000 | |
| 283 | E | A | -1.9516 | |
| 284 | I | A | 0.0000 | |
| 285 | D | A | -2.4395 | |
| 286 | S | A | -1.9835 | |
| 287 | L | A | 0.0000 | |
| 288 | Y | A | -1.6483 | |
| 289 | E | A | -2.0645 | |
| 290 | G | A | -1.6910 | |
| 291 | I | A | -1.1638 | |
| 292 | D | A | -1.8294 | |
| 293 | F | A | 0.0000 | |
| 294 | Y | A | 0.0416 | |
| 295 | T | A | -0.0451 | |
| 296 | S | A | -0.4591 | |
| 297 | I | A | 0.0000 | |
| 298 | T | A | -1.4373 | |
| 299 | R | A | -1.5372 | |
| 300 | A | A | -1.5376 | |
| 301 | R | A | -2.3009 | |
| 302 | F | A | 0.0000 | |
| 303 | E | A | -1.8420 | |
| 304 | E | A | -2.5677 | |
| 305 | L | A | -1.5512 | |
| 306 | N | A | 0.0000 | |
| 307 | A | A | -2.1391 | |
| 308 | D | A | -2.5889 | |
| 309 | L | A | -1.4377 | |
| 310 | F | A | 0.0000 | |
| 311 | R | A | -2.7259 | |
| 312 | G | A | -2.1239 | |
| 313 | T | A | 0.0000 | |
| 314 | L | A | -1.4822 | |
| 315 | D | A | -2.7227 | |
| 316 | P | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | E | A | -2.5603 | |
| 319 | K | A | -2.7019 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | R | A | -3.4564 | |
| 323 | D | A | -2.3021 | |
| 324 | A | A | 0.0000 | |
| 325 | K | A | -3.0505 | |
| 326 | L | A | -2.5360 | |
| 327 | D | A | -3.0248 | |
| 328 | K | A | -2.2195 | |
| 329 | S | A | -1.6869 | |
| 330 | Q | A | -1.9812 | |
| 331 | I | A | 0.0000 | |
| 332 | H | A | -1.6061 | |
| 333 | D | A | -1.0635 | |
| 334 | I | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | G | A | -0.7551 | |
| 339 | G | A | -1.0654 | |
| 340 | S | A | 0.0000 | |
| 341 | T | A | 0.0000 | |
| 342 | R | A | -1.5099 | |
| 343 | I | A | 0.0000 | |
| 344 | P | A | -1.1444 | |
| 345 | K | A | -1.5607 | |
| 346 | I | A | 0.0000 | |
| 347 | Q | A | -1.7608 | |
| 348 | K | A | -2.4078 | |
| 349 | L | A | -1.8436 | |
| 350 | L | A | 0.0000 | |
| 351 | Q | A | -2.7326 | |
| 352 | D | A | -3.0091 | |
| 353 | F | A | -1.5581 | |
| 354 | F | A | 0.0000 | |
| 355 | N | A | -2.5225 | |
| 356 | G | A | -2.5715 | |
| 357 | K | A | -2.4057 | |
| 358 | E | A | -2.8821 | |
| 359 | L | A | 0.0000 | |
| 360 | N | A | -1.6236 | |
| 361 | K | A | -2.2161 | |
| 362 | S | A | -1.1482 | |
| 363 | I | A | -0.9267 | |
| 364 | N | A | -1.4419 | |
| 365 | P | A | -1.3257 | |
| 366 | D | A | -1.2813 | |
| 367 | E | A | -1.0823 | |
| 368 | A | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | Y | A | -0.1832 | |
| 372 | G | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | Q | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | I | A | -0.2380 | |
| 380 | L | A | 0.5576 | |
| 381 | S | A | -0.5052 | |
| 382 | G | A | -1.2167 | |
| 383 | D | A | -2.0821 | |
| 384 | K | A | -3.2152 | |
| 385 | S | A | -3.1332 | |
| 386 | E | A | -3.5315 | |
| 387 | N | A | -3.4174 | |
| 388 | V | A | 0.0000 | |
| 389 | Q | A | -3.1388 | |
| 390 | D | A | -2.9014 | |
| 391 | L | A | -1.0134 | |
| 392 | L | A | 0.2273 | |
| 393 | L | A | 0.4884 | |
| 394 | L | A | 0.1964 | |
| 395 | D | A | -0.3296 | |
| 396 | V | A | 0.0000 | |
| 397 | T | A | 0.0000 | |
| 398 | P | A | -0.4072 | |
| 399 | L | A | -0.7176 | |
| 400 | S | A | 0.0000 | |
| 401 | L | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | I | A | 0.0000 | |
| 404 | E | A | -0.3501 | |
| 405 | T | A | 0.2860 | |
| 406 | A | A | 0.1518 | |
| 407 | G | A | -0.2166 | |
| 408 | G | A | -0.4153 | |
| 409 | V | A | 0.3617 | |
| 410 | M | A | 0.0000 | |
| 411 | T | A | 0.5329 | |
| 412 | V | A | 0.1299 | |
| 413 | L | A | -0.4839 | |
| 414 | I | A | 0.0000 | |
| 415 | K | A | -1.9084 | |
| 416 | R | A | -1.5179 | |
| 417 | N | A | -1.1158 | |
| 418 | T | A | -0.9043 | |
| 419 | T | A | -0.6179 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -0.8836 | |
| 422 | T | A | -1.3315 | |
| 423 | K | A | -2.2858 | |
| 424 | Q | A | -1.6368 | |
| 425 | T | A | -1.2979 | |
| 426 | Q | A | -1.2137 | |
| 427 | T | A | -0.9671 | |
| 428 | F | A | -0.0550 | |
| 429 | T | A | -0.0494 | |
| 430 | T | A | 0.0000 | |
| 431 | Y | A | 0.1755 | |
| 432 | S | A | -1.3898 | |
| 433 | D | A | -2.4812 | |
| 434 | N | A | -2.3328 | |
| 435 | Q | A | -1.6330 | |
| 436 | P | A | -1.0731 | |
| 437 | G | A | -0.8346 | |
| 438 | V | A | 0.0000 | |
| 439 | L | A | -0.4378 | |
| 440 | I | A | 0.0000 | |
| 441 | Q | A | -0.8506 | |
| 442 | V | A | 0.0000 | |
| 443 | Y | A | 0.0000 | |
| 444 | E | A | 0.0000 | |
| 445 | G | A | -1.6042 | |
| 446 | E | A | -2.3920 | |
| 447 | R | A | -2.9292 | |
| 448 | A | A | -1.1177 | |
| 449 | M | A | -1.2159 | |
| 450 | T | A | 0.0000 | |
| 451 | K | A | -2.6826 | |
| 452 | D | A | -3.2705 | |
| 453 | N | A | -2.3613 | |
| 454 | N | A | -1.5668 | |
| 455 | L | A | -0.2373 | |
| 456 | L | A | 0.0000 | |
| 457 | G | A | -1.2548 | |
| 458 | K | A | -1.8681 | |
| 459 | F | A | 0.0000 | |
| 460 | E | A | -2.1699 | |
| 461 | L | A | 0.0000 | |
| 462 | T | A | -1.2318 | |
| 463 | G | A | -1.0178 | |
| 464 | I | A | 0.0000 | |
| 465 | P | A | -0.7212 | |
| 466 | P | A | -1.3200 | |
| 467 | A | A | -1.1878 | |
| 468 | P | A | -1.5550 | |
| 469 | R | A | -2.1403 | |
| 470 | G | A | -0.5202 | |
| 471 | V | A | 0.5495 | |
| 472 | P | A | 0.0000 | |
| 473 | Q | A | -0.9608 | |
| 474 | I | A | 0.0000 | |
| 475 | E | A | -1.3893 | |
| 476 | V | A | 0.0000 | |
| 477 | T | A | -1.1711 | |
| 478 | F | A | 0.0000 | |
| 479 | D | A | -1.5455 | |
| 480 | I | A | 0.0000 | |
| 481 | D | A | -0.9707 | |
| 482 | A | A | -0.4037 | |
| 483 | N | A | -0.5015 | |
| 484 | G | A | -0.4793 | |
| 485 | I | A | -0.1843 | |
| 486 | L | A | 0.0000 | |
| 487 | N | A | -0.7905 | |
| 488 | V | A | 0.0000 | |
| 489 | S | A | -1.2455 | |
| 490 | A | A | 0.0000 | |
| 491 | V | A | -2.0040 | |
| 492 | D | A | 0.0000 | |
| 493 | K | A | -2.6152 | |
| 494 | S | A | -1.2847 | |
| 495 | T | A | -1.5561 | |
| 496 | G | A | -2.0914 | |
| 497 | K | A | -2.6884 | |
| 498 | E | A | -3.2766 | |
| 499 | N | A | -2.6760 | |
| 500 | K | A | -2.3270 | |
| 501 | I | A | -1.0825 | |
| 502 | T | A | -0.5195 | |
| 503 | I | A | 0.0000 | |
| 504 | T | A | -0.9759 | |
| 505 | N | A | -1.8483 | |
| 506 | D | A | -3.0209 | |
| 507 | K | A | -3.0100 | |
| 508 | G | A | -2.5193 | |
| 509 | R | A | -2.2617 | |
| 510 | L | A | 0.0000 | |
| 511 | S | A | -3.0465 | |
| 512 | K | A | -3.6939 | |
| 513 | E | A | -4.1487 | |
| 514 | D | A | -3.5896 | |
| 515 | I | A | 0.0000 | |
| 516 | E | A | -4.3349 | |
| 517 | R | A | -4.4106 | |
| 518 | M | A | -3.0088 | |
| 519 | V | A | -2.7225 | |
| 520 | Q | A | -3.7039 | |
| 521 | E | A | -3.2714 | |
| 522 | A | A | -2.6457 | |
| 523 | E | A | -3.5580 | |
| 524 | K | A | -3.3114 | |
| 525 | Y | A | 0.0000 | |
| 526 | K | A | -2.6639 | |
| 527 | A | A | -2.7149 | |
| 528 | E | A | -2.8360 | |
| 529 | D | A | -3.1510 | |
| 530 | E | A | -3.7871 | |
| 531 | K | A | -3.9058 | |
| 532 | Q | A | -3.1883 | |
| 533 | R | A | -3.5775 | |
| 534 | D | A | -3.3169 | |
| 535 | K | A | -2.9853 | |
| 536 | V | A | -1.2456 | |
| 537 | S | A | -1.4494 | |
| 538 | S | A | 0.0000 | |
| 539 | K | A | -2.2996 | |
| 540 | N | A | -1.4801 | |
| 541 | S | A | -1.0687 | |
| 542 | L | A | 0.0000 | |
| 543 | E | A | -1.4182 | |
| 544 | S | A | -0.7428 | |
| 545 | Y | A | -0.4621 | |
| 546 | A | A | 0.0000 | |
| 547 | F | A | 0.4136 | |
| 548 | N | A | -0.9617 | |
| 549 | M | A | -0.6354 | |
| 550 | K | A | -1.1840 | |
| 551 | A | A | -1.1843 | |
| 552 | T | A | -1.5167 | |
| 553 | V | A | 0.0000 | |
| 554 | E | A | -3.2852 | |
| 555 | D | A | -3.2733 | |
| 556 | E | A | -4.0700 | |
| 557 | K | A | -3.7528 | |
| 558 | L | A | 0.0000 | |
| 559 | Q | A | -3.9349 | |
| 560 | G | A | -2.8379 | |
| 561 | K | A | -3.0264 | |
| 562 | I | A | -2.8222 | |
| 563 | N | A | -3.6067 | |
| 564 | D | A | -4.3114 | |
| 565 | E | A | -4.0078 | |
| 566 | D | A | -3.2095 | |
| 567 | K | A | -3.6553 | |
| 568 | Q | A | -3.5961 | |
| 569 | K | A | -3.3424 | |
| 570 | I | A | 0.0000 | |
| 571 | L | A | -2.4823 | |
| 572 | D | A | -3.2880 | |
| 573 | K | A | -2.5772 | |
| 574 | C | A | 0.0000 | |
| 575 | N | A | -2.0918 | |
| 576 | E | A | -2.6443 | |
| 577 | I | A | 0.0000 | |
| 578 | I | A | -1.4724 | |
| 579 | S | A | -1.8104 | |
| 580 | W | A | -1.8326 | |
| 581 | L | A | 0.0000 | |
| 582 | D | A | -3.0396 | |
| 583 | K | A | -3.0002 | |
| 584 | N | A | -2.6137 | |
| 585 | Q | A | -2.4192 | |
| 586 | T | A | -1.6319 | |
| 587 | A | A | -1.9950 | |
| 588 | E | A | -3.2663 | |
| 589 | K | A | -3.6327 | |
| 590 | E | A | -3.9096 | |
| 591 | E | A | -3.7868 | |
| 592 | F | A | 0.0000 | |
| 593 | E | A | -3.7723 | |
| 594 | H | A | -3.6565 | |
| 595 | Q | A | -2.9322 | |
| 596 | Q | A | -2.8980 | |
| 597 | K | A | -3.4750 | |
| 598 | E | A | -2.7953 | |
| 599 | L | A | 0.0000 | |
| 600 | E | A | -2.3168 | |
| 601 | K | A | -2.7984 | |
| 602 | V | A | -1.7258 | |
| 603 | C | A | 0.0000 | |
| 604 | N | A | -1.9646 | |
| 605 | P | A | -1.4286 | |
| 606 | I | A | 0.0000 | |
| 607 | I | A | -0.6250 | |
| 608 | T | A | -1.0324 | |
| 609 | K | A | -1.9427 | |
| 610 | L | A | 0.0000 | |
| 611 | Y | A | -0.1574 | |
| 612 | Q | A | -1.3415 | |
| 613 | S | A | -1.2641 | |
| 614 | A | A | -0.7275 | |
| 615 | G | A | -0.7369 | |
| 616 | G | A | -0.3255 | |
| 617 | M | A | 0.2673 | |
| 618 | P | A | -0.1143 | |
| 619 | G | A | -0.3660 | |
| 620 | G | A | -0.2351 | |
| 621 | M | A | 0.3831 | |
| 622 | P | A | -0.1669 | |
| 623 | G | A | -0.2198 | |
| 624 | G | A | 0.2450 | |
| 625 | F | A | 1.3174 | |
| 626 | P | A | 0.3454 | |
| 627 | G | A | -0.4620 | |
| 628 | G | A | -0.7791 | |
| 629 | G | A | -0.9037 | |
| 630 | A | A | -0.5437 | |
| 631 | P | A | -0.6090 | |
| 632 | P | A | -0.6913 | |
| 633 | S | A | -0.7032 | |
| 634 | G | A | -0.8962 | |
| 635 | G | A | -0.8189 | |
| 636 | A | A | -0.5008 | |
| 637 | S | A | -0.6055 | |
| 638 | S | A | -0.6564 | |
| 639 | G | A | -0.5280 | |
| 640 | P | A | -0.2975 | |
| 641 | T | A | -0.1031 | |
| 642 | I | A | 0.7283 | |
| 643 | E | A | -1.5229 | |
| 644 | E | A | -1.8205 | |
| 645 | V | A | -0.1963 | |
| 646 | D | A | -1.6706 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.9734 | 5.1983 | View | CSV | PDB |
| 4.5 | -1.0512 | 5.1983 | View | CSV | PDB |
| 5.0 | -1.148 | 5.1983 | View | CSV | PDB |
| 5.5 | -1.2469 | 5.1983 | View | CSV | PDB |
| 6.0 | -1.3282 | 5.1983 | View | CSV | PDB |
| 6.5 | -1.3749 | 5.1983 | View | CSV | PDB |
| 7.0 | -1.3837 | 5.1983 | View | CSV | PDB |
| 7.5 | -1.3649 | 5.1983 | View | CSV | PDB |
| 8.0 | -1.3301 | 5.1983 | View | CSV | PDB |
| 8.5 | -1.2839 | 5.1983 | View | CSV | PDB |
| 9.0 | -1.2268 | 5.1983 | 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