| Chain sequence(s) | MPINKSEKPESCDNVKVVVRCRPLNEREKSMCYRQAVSVDEMRGTITVHKTDSSNEPPKTFTFDTVFGPESKQLDVYNLTARPIIDSVLEGYNGTIFAYGQTGTGKTFTMEGVRAVPGLRGVIPNSFAHIFGHIAKAEGDTRFLVRVSYLEIYNEEVRDLLGKDQTQRLEVKERPDVGVYIKDLSAYVVNNADDMDRIMTLGHKNRSVGATNMNEHSSRSHAIFTITIECSEKGVDGNMHVRMGKLHLVDLAGSERQAKTGATGQRLKEATKINLSLSTLGNVISALVDGKSTHVPYRNSKLTRLLQDSLGGNSKTMMCANIGPADYNYDETISTLRYANRAKNIKNKARINEDPKDALLRQFQKEIEELKKKLEEGEEVSGSDISGSEEDDEEGELGEDGEKKKKRRDQAGKKKVSPDKMVEMQAKIDEERKALETKLDMEEEERNKARAELERREKDLLKAQQEHQSLLEKLSALEKKVIVGGVDLLAKAEEQEKLLEESNMELEERRRRAEQLRKELEEKEQERLDIEEKYTSLQEEAQGKTKKLKKVWTMLMAAKSEMADLQQEHQREIEGLLENIRQLSRELRLQMLIIDNFIPQDYQEMIENYVHWNEDIGEWQLKCVAYTGNNMRKQTPVPDKKERDPFEVDLSHVYLAYTEESLRQSLMKLERPRTSKGKARPKMGRRKRSAKPETVIDSLLQ 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] (00:00:03)
[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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:15)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (01:01:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cf0fb6a6958f5c/tmp/folded.pdb (01:01:53)
[INFO] Main: Simulation completed successfully. (01:06:16)
|
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 | 1.2823 | |
| 2 | P | A | 0.6496 | |
| 3 | I | A | 1.0406 | |
| 4 | N | A | -1.3908 | |
| 5 | K | A | -2.6411 | |
| 6 | S | A | -2.5143 | |
| 7 | E | A | -3.8196 | |
| 8 | K | A | -3.5176 | |
| 9 | P | A | -2.4492 | |
| 10 | E | A | -3.1834 | |
| 11 | S | A | -1.7678 | |
| 12 | C | A | -1.3238 | |
| 13 | D | A | -1.8842 | |
| 14 | N | A | -2.4050 | |
| 15 | V | A | 0.0000 | |
| 16 | K | A | -2.1436 | |
| 17 | V | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | V | A | 0.0000 | |
| 20 | R | A | -0.2704 | |
| 21 | C | A | 0.0000 | |
| 22 | R | A | -0.7170 | |
| 23 | P | A | -1.1088 | |
| 24 | L | A | -1.7168 | |
| 25 | N | A | -2.4397 | |
| 26 | E | A | -3.3641 | |
| 27 | R | A | -3.0560 | |
| 28 | E | A | 0.0000 | |
| 29 | K | A | -2.8672 | |
| 30 | S | A | -1.5078 | |
| 31 | M | A | -0.2432 | |
| 32 | C | A | -0.3747 | |
| 33 | Y | A | -0.7277 | |
| 34 | R | A | -2.1894 | |
| 35 | Q | A | -2.2513 | |
| 36 | A | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | S | A | -0.5959 | |
| 39 | V | A | -0.6689 | |
| 40 | D | A | -1.6938 | |
| 41 | E | A | -2.4911 | |
| 42 | M | A | -2.0306 | |
| 43 | R | A | -2.7255 | |
| 44 | G | A | 0.0000 | |
| 45 | T | A | -1.1786 | |
| 46 | I | A | 0.0000 | |
| 47 | T | A | -0.2667 | |
| 48 | V | A | 0.0000 | |
| 49 | H | A | -1.9018 | |
| 50 | K | A | -2.4126 | |
| 51 | T | A | -2.1585 | |
| 52 | D | A | -2.5204 | |
| 53 | S | A | -2.0281 | |
| 54 | S | A | -1.8270 | |
| 55 | N | A | -2.2272 | |
| 56 | E | A | -2.3708 | |
| 57 | P | A | -1.0700 | |
| 58 | P | A | -1.1234 | |
| 59 | K | A | -0.7280 | |
| 60 | T | A | -0.1803 | |
| 61 | F | A | -0.0414 | |
| 62 | T | A | -0.6341 | |
| 63 | F | A | 0.0000 | |
| 64 | D | A | -1.4470 | |
| 65 | T | A | -1.1939 | |
| 66 | V | A | 0.0000 | |
| 67 | F | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | P | A | -1.2517 | |
| 70 | E | A | -2.2523 | |
| 71 | S | A | -1.8789 | |
| 72 | K | A | -1.7363 | |
| 73 | Q | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | D | A | -0.8853 | |
| 76 | V | A | 0.0000 | |
| 77 | Y | A | 0.0000 | |
| 78 | N | A | 0.0000 | |
| 79 | L | A | -0.1680 | |
| 80 | T | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | R | A | -0.7287 | |
| 83 | P | A | -0.8769 | |
| 84 | I | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | D | A | -2.2997 | |
| 87 | S | A | -1.4835 | |
| 88 | V | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | E | A | -2.0476 | |
| 91 | G | A | 0.0000 | |
| 92 | Y | A | -1.4055 | |
| 93 | N | A | -0.9767 | |
| 94 | G | A | 0.0000 | |
| 95 | T | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | Y | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | Q | A | -0.5138 | |
| 102 | T | A | -0.5060 | |
| 103 | G | A | -0.5347 | |
| 104 | T | A | 0.0000 | |
| 105 | G | A | -0.0806 | |
| 106 | K | A | 0.0000 | |
| 107 | T | A | 0.2578 | |
| 108 | F | A | 0.7721 | |
| 109 | T | A | 0.0000 | |
| 110 | M | A | 0.0000 | |
| 111 | E | A | 0.0867 | |
| 112 | G | A | 0.5789 | |
| 113 | V | A | 0.9593 | |
| 114 | R | A | 0.2161 | |
| 115 | A | A | 0.5987 | |
| 116 | V | A | 1.2516 | |
| 117 | P | A | 0.4214 | |
| 118 | G | A | 0.1902 | |
| 119 | L | A | 0.6809 | |
| 120 | R | A | 0.0665 | |
| 121 | G | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | I | A | 0.0000 | |
| 124 | P | A | 0.0000 | |
| 125 | N | A | 0.0000 | |
| 126 | S | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | H | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | F | A | 0.0000 | |
| 132 | G | A | 0.0000 | |
| 133 | H | A | -1.4849 | |
| 134 | I | A | 0.0000 | |
| 135 | A | A | -1.4473 | |
| 136 | K | A | -2.4187 | |
| 137 | A | A | -2.0432 | |
| 138 | E | A | -2.6967 | |
| 139 | G | A | -2.8699 | |
| 140 | D | A | -3.1267 | |
| 141 | T | A | 0.0000 | |
| 142 | R | A | -1.3380 | |
| 143 | F | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | R | A | -0.1804 | |
| 147 | V | A | 0.0000 | |
| 148 | S | A | 0.0901 | |
| 149 | Y | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | E | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | Y | A | -0.5790 | |
| 154 | N | A | -1.0043 | |
| 155 | E | A | -1.0520 | |
| 156 | E | A | -1.9184 | |
| 157 | V | A | 0.0000 | |
| 158 | R | A | -1.6070 | |
| 159 | D | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | G | A | -1.6493 | |
| 163 | K | A | -2.3473 | |
| 164 | D | A | -2.4039 | |
| 165 | Q | A | -1.7756 | |
| 166 | T | A | -1.8335 | |
| 167 | Q | A | -3.0991 | |
| 168 | R | A | -3.1845 | |
| 169 | L | A | 0.0000 | |
| 170 | E | A | -1.9286 | |
| 171 | V | A | 0.0000 | |
| 172 | K | A | -1.9891 | |
| 173 | E | A | -2.2101 | |
| 174 | R | A | -2.2229 | |
| 175 | P | A | -1.5734 | |
| 176 | D | A | -2.1119 | |
| 177 | V | A | -0.1988 | |
| 178 | G | A | -0.7660 | |
| 179 | V | A | -0.7492 | |
| 180 | Y | A | -0.4628 | |
| 181 | I | A | -0.9232 | |
| 182 | K | A | -1.9031 | |
| 183 | D | A | -2.4098 | |
| 184 | L | A | -1.0266 | |
| 185 | S | A | -0.6112 | |
| 186 | A | A | 0.0611 | |
| 187 | Y | A | 0.4322 | |
| 188 | V | A | -0.0191 | |
| 189 | V | A | 0.0000 | |
| 190 | N | A | -1.5310 | |
| 191 | N | A | -1.5631 | |
| 192 | A | A | -1.9607 | |
| 193 | D | A | -3.1010 | |
| 194 | D | A | -2.3554 | |
| 195 | M | A | 0.0000 | |
| 196 | D | A | -2.3219 | |
| 197 | R | A | -2.7182 | |
| 198 | I | A | 0.0000 | |
| 199 | M | A | 0.0000 | |
| 200 | T | A | -1.2262 | |
| 201 | L | A | -0.8374 | |
| 202 | G | A | 0.0000 | |
| 203 | H | A | -0.9578 | |
| 204 | K | A | -1.3848 | |
| 205 | N | A | -0.6315 | |
| 206 | R | A | 0.0000 | |
| 207 | S | A | -0.6428 | |
| 208 | V | A | 0.7270 | |
| 209 | G | A | -0.2027 | |
| 210 | A | A | -0.4188 | |
| 211 | T | A | -0.4589 | |
| 212 | N | A | -1.1086 | |
| 213 | M | A | -0.1624 | |
| 214 | N | A | -1.2997 | |
| 215 | E | A | -2.1904 | |
| 216 | H | A | -1.2221 | |
| 217 | S | A | -0.9567 | |
| 218 | S | A | -0.9350 | |
| 219 | R | A | -0.9051 | |
| 220 | S | A | 0.0000 | |
| 221 | H | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | I | A | 0.0000 | |
| 224 | F | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | T | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | E | A | 0.0000 | |
| 230 | C | A | -1.1397 | |
| 231 | S | A | 0.0000 | |
| 232 | E | A | -3.3700 | |
| 233 | K | A | -3.5128 | |
| 234 | G | A | -1.7717 | |
| 235 | V | A | -0.1098 | |
| 236 | D | A | -1.8708 | |
| 237 | G | A | -1.9480 | |
| 238 | N | A | -2.5222 | |
| 239 | M | A | -2.3851 | |
| 240 | H | A | -2.9906 | |
| 241 | V | A | 0.0000 | |
| 242 | R | A | -2.2990 | |
| 243 | M | A | -1.1753 | |
| 244 | G | A | 0.0000 | |
| 245 | K | A | -0.6298 | |
| 246 | L | A | 0.0000 | |
| 247 | H | A | -0.2895 | |
| 248 | L | A | 0.0000 | |
| 249 | V | A | 0.0000 | |
| 250 | D | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | A | A | 0.0000 | |
| 253 | G | A | 0.0000 | |
| 254 | S | A | -0.5518 | |
| 255 | E | A | -1.3491 | |
| 256 | R | A | -1.9823 | |
| 257 | Q | A | -1.3565 | |
| 258 | A | A | -1.4636 | |
| 259 | K | A | -2.1572 | |
| 260 | T | A | -1.5245 | |
| 261 | G | A | -1.2357 | |
| 262 | A | A | -1.5270 | |
| 263 | T | A | -1.3782 | |
| 264 | G | A | -1.9385 | |
| 265 | Q | A | -2.7496 | |
| 266 | R | A | -3.0578 | |
| 267 | L | A | -2.2146 | |
| 268 | K | A | -2.5558 | |
| 269 | E | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | T | A | -1.1086 | |
| 272 | K | A | -1.3629 | |
| 273 | I | A | 0.0000 | |
| 274 | N | A | -0.5687 | |
| 275 | L | A | -0.2366 | |
| 276 | S | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | S | A | -0.6399 | |
| 279 | T | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | G | A | -0.8044 | |
| 282 | N | A | -1.3265 | |
| 283 | V | A | 0.0000 | |
| 284 | I | A | 0.0000 | |
| 285 | S | A | -1.2747 | |
| 286 | A | A | -1.2170 | |
| 287 | L | A | -1.2196 | |
| 288 | V | A | -1.5637 | |
| 289 | D | A | -2.4612 | |
| 290 | G | A | -1.9551 | |
| 291 | K | A | -2.5582 | |
| 292 | S | A | -1.6259 | |
| 293 | T | A | -1.0280 | |
| 294 | H | A | -1.1435 | |
| 295 | V | A | -0.8723 | |
| 296 | P | A | -1.3523 | |
| 297 | Y | A | -1.5056 | |
| 298 | R | A | -2.5269 | |
| 299 | N | A | -2.3155 | |
| 300 | S | A | 0.0000 | |
| 301 | K | A | -1.2946 | |
| 302 | L | A | 0.0000 | |
| 303 | T | A | 0.0000 | |
| 304 | R | A | -1.2941 | |
| 305 | L | A | -0.4744 | |
| 306 | L | A | 0.0000 | |
| 307 | Q | A | -0.9394 | |
| 308 | D | A | -1.1481 | |
| 309 | S | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | G | A | -1.1079 | |
| 312 | G | A | -1.4277 | |
| 313 | N | A | -1.3997 | |
| 314 | S | A | 0.0000 | |
| 315 | K | A | -1.3795 | |
| 316 | T | A | 0.0000 | |
| 317 | M | A | 0.0000 | |
| 318 | M | A | 0.0000 | |
| 319 | C | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | N | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | G | A | 0.0000 | |
| 324 | P | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | D | A | -1.3052 | |
| 327 | Y | A | 0.1447 | |
| 328 | N | A | 0.0000 | |
| 329 | Y | A | -0.9182 | |
| 330 | D | A | -1.8999 | |
| 331 | E | A | 0.0000 | |
| 332 | T | A | 0.0000 | |
| 333 | I | A | 0.0000 | |
| 334 | S | A | -0.6427 | |
| 335 | T | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | R | A | 0.0000 | |
| 338 | Y | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | N | A | -1.4959 | |
| 341 | R | A | -1.9137 | |
| 342 | A | A | 0.0000 | |
| 343 | K | A | -2.3147 | |
| 344 | N | A | -2.6416 | |
| 345 | I | A | 0.0000 | |
| 346 | K | A | -2.5457 | |
| 347 | N | A | 0.0000 | |
| 348 | K | A | -2.4427 | |
| 349 | A | A | -2.1204 | |
| 350 | R | A | -2.4839 | |
| 351 | I | A | -1.5625 | |
| 352 | N | A | -2.1205 | |
| 353 | E | A | -3.4685 | |
| 354 | D | A | -3.5573 | |
| 355 | P | A | -2.9950 | |
| 356 | K | A | -3.4228 | |
| 357 | D | A | -2.9957 | |
| 358 | A | A | 0.0000 | |
| 359 | L | A | -1.0411 | |
| 360 | L | A | 0.0000 | |
| 361 | R | A | -2.2636 | |
| 362 | Q | A | -2.3618 | |
| 363 | F | A | -1.8245 | |
| 364 | Q | A | -2.3816 | |
| 365 | K | A | -3.3651 | |
| 366 | E | A | -3.0219 | |
| 367 | I | A | 0.0000 | |
| 368 | E | A | -4.1586 | |
| 369 | E | A | -4.1096 | |
| 370 | L | A | 0.0000 | |
| 371 | K | A | -3.7371 | |
| 372 | K | A | -4.5412 | |
| 373 | K | A | -3.9089 | |
| 374 | L | A | -2.9959 | |
| 375 | E | A | -4.2678 | |
| 376 | E | A | -4.3390 | |
| 377 | G | A | 0.0000 | |
| 378 | E | A | -4.0455 | |
| 379 | E | A | -2.8141 | |
| 380 | V | A | -0.5188 | |
| 381 | S | A | -0.7873 | |
| 382 | G | A | -0.6509 | |
| 383 | S | A | -0.6469 | |
| 384 | D | A | -1.1585 | |
| 385 | I | A | 0.7713 | |
| 386 | S | A | -0.2964 | |
| 387 | G | A | -1.1881 | |
| 388 | S | A | -1.5402 | |
| 389 | E | A | -3.5832 | |
| 390 | E | A | -4.1068 | |
| 391 | D | A | -4.6073 | |
| 392 | D | A | -4.6658 | |
| 393 | E | A | -4.3308 | |
| 394 | E | A | -3.8695 | |
| 395 | G | A | -2.6643 | |
| 396 | E | A | -2.2453 | |
| 397 | L | A | -0.6353 | |
| 398 | G | A | -1.6665 | |
| 399 | E | A | -3.1136 | |
| 400 | D | A | -4.0858 | |
| 401 | G | A | -4.2229 | |
| 402 | E | A | -5.2418 | |
| 403 | K | A | -5.4214 | |
| 404 | K | A | -6.0645 | |
| 405 | K | A | -6.4662 | |
| 406 | K | A | -6.1409 | |
| 407 | R | A | -6.0128 | |
| 408 | R | A | -5.7173 | |
| 409 | D | A | -5.2586 | |
| 410 | Q | A | -4.1286 | |
| 411 | A | A | -3.0647 | |
| 412 | G | A | -3.0512 | |
| 413 | K | A | -3.6381 | |
| 414 | K | A | -3.1406 | |
| 415 | K | A | -3.3468 | |
| 416 | V | A | -1.9602 | |
| 417 | S | A | -2.5955 | |
| 418 | P | A | -1.7829 | |
| 419 | D | A | -2.4961 | |
| 420 | K | A | -2.4833 | |
| 421 | M | A | 0.0000 | |
| 422 | V | A | -0.4990 | |
| 423 | E | A | -2.3990 | |
| 424 | M | A | -1.9755 | |
| 425 | Q | A | -1.8282 | |
| 426 | A | A | -2.2353 | |
| 427 | K | A | -3.5188 | |
| 428 | I | A | 0.0000 | |
| 429 | D | A | -3.5816 | |
| 430 | E | A | -4.4863 | |
| 431 | E | A | -4.2799 | |
| 432 | R | A | -4.2075 | |
| 433 | K | A | -4.3091 | |
| 434 | A | A | -2.8745 | |
| 435 | L | A | -2.7228 | |
| 436 | E | A | -3.2223 | |
| 437 | T | A | -1.9040 | |
| 438 | K | A | -1.9636 | |
| 439 | L | A | -0.7989 | |
| 440 | D | A | -2.0722 | |
| 441 | M | A | -2.7063 | |
| 442 | E | A | -4.0797 | |
| 443 | E | A | -4.6258 | |
| 444 | E | A | -4.9604 | |
| 445 | E | A | -4.8695 | |
| 446 | R | A | -4.3163 | |
| 447 | N | A | -4.0962 | |
| 448 | K | A | -4.1984 | |
| 449 | A | A | -3.5585 | |
| 450 | R | A | -4.1805 | |
| 451 | A | A | -3.4516 | |
| 452 | E | A | -4.1388 | |
| 453 | L | A | 0.0000 | |
| 454 | E | A | -4.2971 | |
| 455 | R | A | -4.8691 | |
| 456 | R | A | -4.5274 | |
| 457 | E | A | -3.5840 | |
| 458 | K | A | -4.3529 | |
| 459 | D | A | -4.2466 | |
| 460 | L | A | 0.0000 | |
| 461 | L | A | -2.0498 | |
| 462 | K | A | -3.5171 | |
| 463 | A | A | -3.1945 | |
| 464 | Q | A | -2.4602 | |
| 465 | Q | A | -3.0021 | |
| 466 | E | A | -2.9949 | |
| 467 | H | A | -2.3741 | |
| 468 | Q | A | -2.4085 | |
| 469 | S | A | -2.0618 | |
| 470 | L | A | -1.5917 | |
| 471 | L | A | -1.1841 | |
| 472 | E | A | -2.5101 | |
| 473 | K | A | -2.2053 | |
| 474 | L | A | -2.1152 | |
| 475 | S | A | -2.0390 | |
| 476 | A | A | -2.0370 | |
| 477 | L | A | 0.0000 | |
| 478 | E | A | -3.0849 | |
| 479 | K | A | -2.9490 | |
| 480 | K | A | -1.9587 | |
| 481 | V | A | 0.0000 | |
| 482 | I | A | 0.0000 | |
| 483 | V | A | -0.7457 | |
| 484 | G | A | 0.0000 | |
| 485 | G | A | -1.2378 | |
| 486 | V | A | 0.5230 | |
| 487 | D | A | -0.8633 | |
| 488 | L | A | -0.9004 | |
| 489 | L | A | -1.0833 | |
| 490 | A | A | -1.7048 | |
| 491 | K | A | -3.0652 | |
| 492 | A | A | 0.0000 | |
| 493 | E | A | -3.3155 | |
| 494 | E | A | -3.5711 | |
| 495 | Q | A | 0.0000 | |
| 496 | E | A | -2.6737 | |
| 497 | K | A | -3.4641 | |
| 498 | L | A | -1.9096 | |
| 499 | L | A | 0.0000 | |
| 500 | E | A | -2.2843 | |
| 501 | E | A | -2.6244 | |
| 502 | S | A | -2.1019 | |
| 503 | N | A | -2.1024 | |
| 504 | M | A | -2.0993 | |
| 505 | E | A | -3.6872 | |
| 506 | L | A | 0.0000 | |
| 507 | E | A | -4.3283 | |
| 508 | E | A | -5.4087 | |
| 509 | R | A | -5.4904 | |
| 510 | R | A | -5.2753 | |
| 511 | R | A | -5.6300 | |
| 512 | R | A | -5.1158 | |
| 513 | A | A | -4.1875 | |
| 514 | E | A | -4.4745 | |
| 515 | Q | A | -3.7359 | |
| 516 | L | A | -2.3460 | |
| 517 | R | A | -3.4527 | |
| 518 | K | A | -3.9080 | |
| 519 | E | A | -3.7448 | |
| 520 | L | A | -3.3625 | |
| 521 | E | A | -5.1418 | |
| 522 | E | A | -5.5794 | |
| 523 | K | A | -5.6644 | |
| 524 | E | A | -5.1387 | |
| 525 | Q | A | -4.9271 | |
| 526 | E | A | -4.9846 | |
| 527 | R | A | -4.3938 | |
| 528 | L | A | -2.9705 | |
| 529 | D | A | -3.0647 | |
| 530 | I | A | -1.3620 | |
| 531 | E | A | -2.8927 | |
| 532 | E | A | -3.6049 | |
| 533 | K | A | -2.6301 | |
| 534 | Y | A | -1.7522 | |
| 535 | T | A | -0.9984 | |
| 536 | S | A | -0.5608 | |
| 537 | L | A | 0.1884 | |
| 538 | Q | A | -1.6892 | |
| 539 | E | A | -2.7798 | |
| 540 | E | A | -2.7928 | |
| 541 | A | A | -2.1328 | |
| 542 | Q | A | -2.7491 | |
| 543 | G | A | 0.0000 | |
| 544 | K | A | -3.8528 | |
| 545 | T | A | -2.8550 | |
| 546 | K | A | -3.4657 | |
| 547 | K | A | -3.0439 | |
| 548 | L | A | -1.5891 | |
| 549 | K | A | -2.4799 | |
| 550 | K | A | -2.1175 | |
| 551 | V | A | 0.3585 | |
| 552 | W | A | 0.8205 | |
| 553 | T | A | 0.3874 | |
| 554 | M | A | 1.2981 | |
| 555 | L | A | 1.2399 | |
| 556 | M | A | 0.8503 | |
| 557 | A | A | 0.3736 | |
| 558 | A | A | 0.0953 | |
| 559 | K | A | -0.9600 | |
| 560 | S | A | -0.8503 | |
| 561 | E | A | -0.6950 | |
| 562 | M | A | -0.0013 | |
| 563 | A | A | -0.7606 | |
| 564 | D | A | -1.2553 | |
| 565 | L | A | -0.8000 | |
| 566 | Q | A | -2.1115 | |
| 567 | Q | A | -2.3801 | |
| 568 | E | A | -2.7216 | |
| 569 | H | A | -3.0297 | |
| 570 | Q | A | -2.8439 | |
| 571 | R | A | -3.2406 | |
| 572 | E | A | -3.0135 | |
| 573 | I | A | -1.0430 | |
| 574 | E | A | -1.3969 | |
| 575 | G | A | -0.9846 | |
| 576 | L | A | 0.8649 | |
| 577 | L | A | 0.7295 | |
| 578 | E | A | -0.4484 | |
| 579 | N | A | 0.1773 | |
| 580 | I | A | 0.7471 | |
| 581 | R | A | -1.3176 | |
| 582 | Q | A | -1.2234 | |
| 583 | L | A | 0.1922 | |
| 584 | S | A | -1.0424 | |
| 585 | R | A | -2.4504 | |
| 586 | E | A | -1.4572 | |
| 587 | L | A | 0.0157 | |
| 588 | R | A | -1.1295 | |
| 589 | L | A | -0.0686 | |
| 590 | Q | A | -0.2134 | |
| 591 | M | A | 0.4844 | |
| 592 | L | A | 1.1724 | |
| 593 | I | A | 1.5930 | |
| 594 | I | A | 0.5961 | |
| 595 | D | A | -0.8851 | |
| 596 | N | A | -0.2969 | |
| 597 | F | A | 1.6025 | |
| 598 | I | A | 0.4838 | |
| 599 | P | A | -1.3000 | |
| 600 | Q | A | -2.5683 | |
| 601 | D | A | -2.6917 | |
| 602 | Y | A | -1.5374 | |
| 603 | Q | A | -2.4454 | |
| 604 | E | A | -3.3557 | |
| 605 | M | A | -1.7785 | |
| 606 | I | A | -1.4002 | |
| 607 | E | A | -2.5303 | |
| 608 | N | A | -2.2508 | |
| 609 | Y | A | -0.9594 | |
| 610 | V | A | -0.5875 | |
| 611 | H | A | -1.3181 | |
| 612 | W | A | -0.6580 | |
| 613 | N | A | -1.9099 | |
| 614 | E | A | -2.8667 | |
| 615 | D | A | -2.9819 | |
| 616 | I | A | -1.4383 | |
| 617 | G | A | -2.1581 | |
| 618 | E | A | -2.0452 | |
| 619 | W | A | -0.3436 | |
| 620 | Q | A | -0.7604 | |
| 621 | L | A | -0.1242 | |
| 622 | K | A | -0.9730 | |
| 623 | C | A | 0.6520 | |
| 624 | V | A | 1.4950 | |
| 625 | A | A | 0.5129 | |
| 626 | Y | A | 0.6673 | |
| 627 | T | A | 0.2258 | |
| 628 | G | A | -1.0288 | |
| 629 | N | A | -2.4457 | |
| 630 | N | A | -2.2950 | |
| 631 | M | A | -2.0636 | |
| 632 | R | A | -3.4153 | |
| 633 | K | A | -3.4280 | |
| 634 | Q | A | -2.3438 | |
| 635 | T | A | -1.1301 | |
| 636 | P | A | -0.3483 | |
| 637 | V | A | 0.7077 | |
| 638 | P | A | -1.0378 | |
| 639 | D | A | -2.9786 | |
| 640 | K | A | -3.8717 | |
| 641 | K | A | -4.6059 | |
| 642 | E | A | -4.5787 | |
| 643 | R | A | -4.2256 | |
| 644 | D | A | -3.2970 | |
| 645 | P | A | -1.1139 | |
| 646 | F | A | 0.4460 | |
| 647 | E | A | -1.0641 | |
| 648 | V | A | 0.7788 | |
| 649 | D | A | -0.7086 | |
| 650 | L | A | 0.9763 | |
| 651 | S | A | 0.9369 | |
| 652 | H | A | 0.7698 | |
| 653 | V | A | 2.4369 | |
| 654 | Y | A | 3.0350 | |
| 655 | L | A | 2.6946 | |
| 656 | A | A | 1.7730 | |
| 657 | Y | A | 1.5053 | |
| 658 | T | A | -0.4183 | |
| 659 | E | A | -2.6546 | |
| 660 | E | A | -3.2452 | |
| 661 | S | A | -1.6681 | |
| 662 | L | A | -1.1678 | |
| 663 | R | A | -2.6843 | |
| 664 | Q | A | -2.1524 | |
| 665 | S | A | -0.5578 | |
| 666 | L | A | 0.8241 | |
| 667 | M | A | 0.3561 | |
| 668 | K | A | -1.1260 | |
| 669 | L | A | -0.0161 | |
| 670 | E | A | -2.2179 | |
| 671 | R | A | -3.0363 | |
| 672 | P | A | -2.3182 | |
| 673 | R | A | -2.8437 | |
| 674 | T | A | -1.6661 | |
| 675 | S | A | -1.6395 | |
| 676 | K | A | -2.6070 | |
| 677 | G | A | -2.2366 | |
| 678 | K | A | -2.6561 | |
| 679 | A | A | -1.9864 | |
| 680 | R | A | -2.5594 | |
| 681 | P | A | -1.7025 | |
| 682 | K | A | -2.0255 | |
| 683 | M | A | -0.8342 | |
| 684 | G | A | -1.8920 | |
| 685 | R | A | -3.5732 | |
| 686 | R | A | -4.0124 | |
| 687 | K | A | -4.0296 | |
| 688 | R | A | -3.5898 | |
| 689 | S | A | -2.0141 | |
| 690 | A | A | -1.7103 | |
| 691 | K | A | -2.5361 | |
| 692 | P | A | -1.7324 | |
| 693 | E | A | -1.6406 | |
| 694 | T | A | -0.2169 | |
| 695 | V | A | 1.9150 | |
| 696 | I | A | 2.2954 | |
| 697 | D | A | 0.2187 | |
| 698 | S | A | 0.8778 | |
| 699 | L | A | 2.1604 | |
| 700 | L | A | 1.5347 | |
| 701 | Q | A | -0.3268 |
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 | -1.4518 | 5.4729 | View | CSV | PDB |
| 4.5 | -1.5799 | 5.3912 | View | CSV | PDB |
| 5.0 | -1.7453 | 5.2847 | View | CSV | PDB |
| 5.5 | -1.9157 | 5.1666 | View | CSV | PDB |
| 6.0 | -2.0546 | 5.0443 | View | CSV | PDB |
| 6.5 | -2.1331 | 4.9207 | View | CSV | PDB |
| 7.0 | -2.1446 | 4.7968 | View | CSV | PDB |
| 7.5 | -2.1063 | 4.6736 | View | CSV | PDB |
| 8.0 | -2.0407 | 4.5526 | View | CSV | PDB |
| 8.5 | -1.9592 | 4.4383 | View | CSV | PDB |
| 9.0 | -1.864 | 4.3409 | 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