| Chain sequence(s) | MGPSCPVFLSFTKLSLWWLLLTPAGGEEAKRPPPRAPGDPLSSPSPTALPQGGSHTETEDRLFKHLFRGYNRWARPVPNTSDVVIVRFGLSIAQLIDVDEKNQMMTTNVWLKQEWSDYKLRWNPTDFGNITSLRVPSEMIWIPDIVLYNNADGEFAVTHMTKAHLFSTGTVHWVPPAIYKSSCSIDVTFFPFDQQNCKMKFGSWTYDKAKIDLEQMEQTVDLKDYWESGEWAIVNATGTYNSKKYDCCAEIYPDVTYAFVIRRLPLFYTINLIIPCLLISCLTVLVFYLPSDCGEKITLCISVLLSLTVFLLLITEIIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPSTHTMPHWVRGALLGCVPRWLLMNRPPPPVELCHPLRLKLSPSYHWLESNVDAEEREVVVEEEDRWACAGHVAPSVGTLCSHGHLHSGASGPKAEALLQEGELLLSPHMQKALEGVHYIADHLRSEDADSSVKEDWKYVAMVIDRIFLWLFIIVCFLGTIGLFLPPFLAGMI 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] (00:00:00)
[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 partially or entirely disordered. Average 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 (00:04:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6ab385fb88e488/tmp/folded.pdb (00:04:45)
[INFO] Main: Simulation completed successfully. (00:06:52)
|
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 | 0.7499 | |
| 2 | G | A | -0.0870 | |
| 3 | P | A | -0.2598 | |
| 4 | S | A | -0.0816 | |
| 5 | C | A | 0.9548 | |
| 6 | P | A | 1.4880 | |
| 7 | V | A | 3.2172 | |
| 8 | F | A | 3.8934 | |
| 9 | L | A | 3.1353 | |
| 10 | S | A | 1.9571 | |
| 11 | F | A | 2.3887 | |
| 12 | T | A | 0.8773 | |
| 13 | K | A | 0.5237 | |
| 14 | L | A | 2.3970 | |
| 15 | S | A | 2.2273 | |
| 16 | L | A | 3.4008 | |
| 17 | W | A | 3.9872 | |
| 18 | W | A | 4.0205 | |
| 19 | L | A | 4.2940 | |
| 20 | L | A | 4.0821 | |
| 21 | L | A | 3.4638 | |
| 22 | T | A | 1.7819 | |
| 23 | P | A | 0.3376 | |
| 24 | A | A | -0.0385 | |
| 25 | G | A | -1.4430 | |
| 26 | G | A | -2.1229 | |
| 27 | E | A | -3.2333 | |
| 28 | E | A | -3.5943 | |
| 29 | A | A | -2.7326 | |
| 30 | K | A | -3.3957 | |
| 31 | R | A | -3.1226 | |
| 32 | P | A | -2.0057 | |
| 33 | P | A | -1.5652 | |
| 34 | P | A | -1.6177 | |
| 35 | R | A | -2.1595 | |
| 36 | A | A | -1.3476 | |
| 37 | P | A | -1.4098 | |
| 38 | G | A | -1.7595 | |
| 39 | D | A | -1.8810 | |
| 40 | P | A | -0.5424 | |
| 41 | L | A | 0.9010 | |
| 42 | S | A | 0.3914 | |
| 43 | S | A | -0.2038 | |
| 44 | P | A | -0.5770 | |
| 45 | S | A | -0.5270 | |
| 46 | P | A | -0.2648 | |
| 47 | T | A | 0.1241 | |
| 48 | A | A | 0.5262 | |
| 49 | L | A | 1.0034 | |
| 50 | P | A | -0.1208 | |
| 51 | Q | A | -1.4306 | |
| 52 | G | A | -1.4895 | |
| 53 | G | A | -1.8171 | |
| 54 | S | A | -2.1102 | |
| 55 | H | A | -2.8383 | |
| 56 | T | A | -2.5689 | |
| 57 | E | A | -3.3790 | |
| 58 | T | A | -3.2260 | |
| 59 | E | A | -3.1321 | |
| 60 | D | A | -3.4311 | |
| 61 | R | A | -3.3797 | |
| 62 | L | A | 0.0000 | |
| 63 | F | A | -2.2382 | |
| 64 | K | A | -3.1366 | |
| 65 | H | A | -2.3814 | |
| 66 | L | A | -1.5685 | |
| 67 | F | A | -1.6194 | |
| 68 | R | A | -2.5906 | |
| 69 | G | A | -2.0102 | |
| 70 | Y | A | -1.4869 | |
| 71 | N | A | -2.0391 | |
| 72 | R | A | -1.9956 | |
| 73 | W | A | -0.0214 | |
| 74 | A | A | -0.3771 | |
| 75 | R | A | -0.3999 | |
| 76 | P | A | 0.0000 | |
| 77 | V | A | -0.5120 | |
| 78 | P | A | -0.8376 | |
| 79 | N | A | -1.4894 | |
| 80 | T | A | -1.0030 | |
| 81 | S | A | -0.8795 | |
| 82 | D | A | -0.7437 | |
| 83 | V | A | 0.0486 | |
| 84 | V | A | 0.0000 | |
| 85 | I | A | 0.0908 | |
| 86 | V | A | 0.0000 | |
| 87 | R | A | -1.9663 | |
| 88 | F | A | 0.0000 | |
| 89 | G | A | -1.2939 | |
| 90 | L | A | 0.0000 | |
| 91 | S | A | 0.0000 | |
| 92 | I | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | Q | A | -0.3012 | |
| 95 | L | A | 0.0000 | |
| 96 | I | A | 0.1690 | |
| 97 | D | A | -1.5717 | |
| 98 | V | A | 0.0000 | |
| 99 | D | A | -1.8352 | |
| 100 | E | A | -2.1009 | |
| 101 | K | A | -2.7850 | |
| 102 | N | A | -2.4703 | |
| 103 | Q | A | -1.9531 | |
| 104 | M | A | -1.5966 | |
| 105 | M | A | 0.0000 | |
| 106 | T | A | 0.0000 | |
| 107 | T | A | 0.0000 | |
| 108 | N | A | 0.5580 | |
| 109 | V | A | 0.0000 | |
| 110 | W | A | 0.6485 | |
| 111 | L | A | 0.0000 | |
| 112 | K | A | -0.5812 | |
| 113 | Q | A | 0.0000 | |
| 114 | E | A | -0.8854 | |
| 115 | W | A | 0.0000 | |
| 116 | S | A | -0.2816 | |
| 117 | D | A | 0.0000 | |
| 118 | Y | A | -0.3362 | |
| 119 | K | A | -1.1249 | |
| 120 | L | A | 0.0000 | |
| 121 | R | A | -2.0490 | |
| 122 | W | A | 0.0000 | |
| 123 | N | A | -2.3096 | |
| 124 | P | A | -1.9788 | |
| 125 | T | A | -1.8420 | |
| 126 | D | A | -2.4420 | |
| 127 | F | A | -2.4199 | |
| 128 | G | A | -2.0458 | |
| 129 | N | A | -2.1681 | |
| 130 | I | A | 0.0000 | |
| 131 | T | A | -0.5853 | |
| 132 | S | A | -0.6460 | |
| 133 | L | A | 0.0000 | |
| 134 | R | A | -2.3601 | |
| 135 | V | A | 0.0000 | |
| 136 | P | A | -1.5533 | |
| 137 | S | A | 0.0000 | |
| 138 | E | A | -1.9316 | |
| 139 | M | A | -1.0443 | |
| 140 | I | A | 0.0000 | |
| 141 | W | A | 0.0000 | |
| 142 | I | A | -0.0774 | |
| 143 | P | A | 0.0000 | |
| 144 | D | A | -0.0392 | |
| 145 | I | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | Y | A | 0.2458 | |
| 149 | N | A | -0.7564 | |
| 150 | N | A | -1.0227 | |
| 151 | A | A | -1.4659 | |
| 152 | D | A | -2.2444 | |
| 153 | G | A | -1.8192 | |
| 154 | E | A | -1.7859 | |
| 155 | F | A | -0.0290 | |
| 156 | A | A | 0.0200 | |
| 157 | V | A | 0.2278 | |
| 158 | T | A | -0.1270 | |
| 159 | H | A | -0.7053 | |
| 160 | M | A | -0.6569 | |
| 161 | T | A | -1.1969 | |
| 162 | K | A | -2.4357 | |
| 163 | A | A | 0.0000 | |
| 164 | H | A | -1.3215 | |
| 165 | L | A | 0.0000 | |
| 166 | F | A | -0.3189 | |
| 167 | S | A | -0.9052 | |
| 168 | T | A | -0.6247 | |
| 169 | G | A | 0.0000 | |
| 170 | T | A | -0.3151 | |
| 171 | V | A | 0.0000 | |
| 172 | H | A | -0.9657 | |
| 173 | W | A | 0.0000 | |
| 174 | V | A | 0.1978 | |
| 175 | P | A | 0.0000 | |
| 176 | P | A | 0.4589 | |
| 177 | A | A | 0.0000 | |
| 178 | I | A | 1.7006 | |
| 179 | Y | A | 0.0000 | |
| 180 | K | A | -0.8529 | |
| 181 | S | A | 0.0000 | |
| 182 | S | A | -1.0523 | |
| 183 | C | A | 0.0000 | |
| 184 | S | A | -1.2451 | |
| 185 | I | A | 0.0000 | |
| 186 | D | A | -1.4574 | |
| 187 | V | A | 0.0000 | |
| 188 | T | A | 0.3062 | |
| 189 | F | A | 0.7166 | |
| 190 | F | A | 0.0000 | |
| 191 | P | A | 0.0000 | |
| 192 | F | A | 1.1914 | |
| 193 | D | A | 0.0000 | |
| 194 | Q | A | -0.9003 | |
| 195 | Q | A | 0.0000 | |
| 196 | N | A | -1.9131 | |
| 197 | C | A | 0.0000 | |
| 198 | K | A | -1.5728 | |
| 199 | M | A | 0.0000 | |
| 200 | K | A | -0.8294 | |
| 201 | F | A | 0.0000 | |
| 202 | G | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | W | A | 1.1195 | |
| 205 | T | A | 0.4180 | |
| 206 | Y | A | 0.0709 | |
| 207 | D | A | 0.0000 | |
| 208 | K | A | -0.5900 | |
| 209 | A | A | -0.5002 | |
| 210 | K | A | -0.7972 | |
| 211 | I | A | 0.0000 | |
| 212 | D | A | -0.5835 | |
| 213 | L | A | 0.0000 | |
| 214 | E | A | -2.0276 | |
| 215 | Q | A | -2.0152 | |
| 216 | M | A | -1.8662 | |
| 217 | E | A | -2.7549 | |
| 218 | Q | A | -2.1299 | |
| 219 | T | A | -1.4228 | |
| 220 | V | A | 0.0000 | |
| 221 | D | A | -1.2503 | |
| 222 | L | A | -0.8460 | |
| 223 | K | A | -2.1284 | |
| 224 | D | A | -2.3343 | |
| 225 | Y | A | -1.0449 | |
| 226 | W | A | -0.2260 | |
| 227 | E | A | -1.4666 | |
| 228 | S | A | -1.0041 | |
| 229 | G | A | -0.9271 | |
| 230 | E | A | -0.6633 | |
| 231 | W | A | 0.0000 | |
| 232 | A | A | -0.3568 | |
| 233 | I | A | 0.1369 | |
| 234 | V | A | 0.4824 | |
| 235 | N | A | -0.7410 | |
| 236 | A | A | 0.0000 | |
| 237 | T | A | -1.0734 | |
| 238 | G | A | 0.0000 | |
| 239 | T | A | -0.3196 | |
| 240 | Y | A | -0.3561 | |
| 241 | N | A | -0.7166 | |
| 242 | S | A | -1.1184 | |
| 243 | K | A | -2.4568 | |
| 244 | K | A | -2.3670 | |
| 245 | Y | A | -1.4465 | |
| 246 | D | A | -1.9104 | |
| 247 | C | A | -0.3288 | |
| 248 | C | A | -0.4076 | |
| 249 | A | A | -0.5295 | |
| 250 | E | A | -1.0552 | |
| 251 | I | A | -0.5199 | |
| 252 | Y | A | -0.6174 | |
| 253 | P | A | 0.0000 | |
| 254 | D | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | Y | A | 0.0000 | |
| 258 | A | A | -0.9878 | |
| 259 | F | A | 0.0000 | |
| 260 | V | A | -0.6466 | |
| 261 | I | A | 0.0000 | |
| 262 | R | A | -0.7339 | |
| 263 | R | A | 0.0000 | |
| 264 | L | A | 1.1739 | |
| 265 | P | A | 1.9295 | |
| 266 | L | A | 2.8023 | |
| 267 | F | A | 2.8394 | |
| 268 | Y | A | 1.7996 | |
| 269 | T | A | 1.8054 | |
| 270 | I | A | 1.8876 | |
| 271 | N | A | 0.4331 | |
| 272 | L | A | 0.0000 | |
| 273 | I | A | 0.0000 | |
| 274 | I | A | 1.7754 | |
| 275 | P | A | 1.2455 | |
| 276 | C | A | 0.0000 | |
| 277 | L | A | 1.7835 | |
| 278 | L | A | 2.5235 | |
| 279 | I | A | 1.7843 | |
| 280 | S | A | 0.0000 | |
| 281 | C | A | 2.2700 | |
| 282 | L | A | 1.7642 | |
| 283 | T | A | 0.0000 | |
| 284 | V | A | 1.8568 | |
| 285 | L | A | 1.8691 | |
| 286 | V | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | Y | A | 1.7373 | |
| 289 | L | A | 0.5078 | |
| 290 | P | A | -0.4900 | |
| 291 | S | A | 0.0000 | |
| 292 | D | A | -2.2160 | |
| 293 | C | A | -1.2126 | |
| 294 | G | A | -1.4413 | |
| 295 | E | A | -1.7473 | |
| 296 | K | A | 0.0000 | |
| 297 | I | A | 0.7600 | |
| 298 | T | A | -0.0742 | |
| 299 | L | A | 0.3510 | |
| 300 | C | A | 0.0000 | |
| 301 | I | A | 1.5060 | |
| 302 | S | A | 0.9410 | |
| 303 | V | A | 0.0000 | |
| 304 | L | A | 1.8090 | |
| 305 | L | A | 2.1850 | |
| 306 | S | A | 1.5265 | |
| 307 | L | A | 0.0000 | |
| 308 | T | A | 2.1480 | |
| 309 | V | A | 3.0668 | |
| 310 | F | A | 2.1386 | |
| 311 | L | A | 1.9329 | |
| 312 | L | A | 2.3644 | |
| 313 | L | A | 1.7653 | |
| 314 | I | A | 0.0000 | |
| 315 | T | A | 0.1884 | |
| 316 | E | A | -1.0797 | |
| 317 | I | A | -0.2993 | |
| 318 | I | A | -0.7778 | |
| 319 | P | A | 0.0000 | |
| 320 | S | A | -0.5762 | |
| 321 | T | A | 0.1327 | |
| 322 | S | A | 0.9219 | |
| 323 | L | A | 1.7309 | |
| 324 | V | A | 1.5978 | |
| 325 | I | A | 1.5193 | |
| 326 | P | A | 0.0000 | |
| 327 | L | A | 0.2820 | |
| 328 | I | A | 0.0000 | |
| 329 | G | A | 0.0000 | |
| 330 | E | A | -1.0426 | |
| 331 | Y | A | 0.0000 | |
| 332 | L | A | 0.0000 | |
| 333 | L | A | 1.0273 | |
| 334 | F | A | 1.1593 | |
| 335 | T | A | 0.0000 | |
| 336 | M | A | 1.7610 | |
| 337 | I | A | 2.7850 | |
| 338 | F | A | 2.1605 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | 1.8389 | |
| 341 | L | A | 1.9648 | |
| 342 | S | A | 0.0000 | |
| 343 | I | A | 2.2985 | |
| 344 | V | A | 3.0892 | |
| 345 | I | A | 2.1310 | |
| 346 | T | A | 0.0000 | |
| 347 | V | A | 2.6665 | |
| 348 | F | A | 1.9514 | |
| 349 | V | A | 0.0000 | |
| 350 | L | A | -0.0840 | |
| 351 | N | A | -0.7746 | |
| 352 | V | A | 0.0000 | |
| 353 | H | A | -1.4654 | |
| 354 | H | A | -2.1057 | |
| 355 | R | A | -1.7897 | |
| 356 | S | A | -1.4201 | |
| 357 | P | A | -0.9864 | |
| 358 | S | A | -0.7766 | |
| 359 | T | A | -0.6661 | |
| 360 | H | A | -0.7697 | |
| 361 | T | A | -0.5109 | |
| 362 | M | A | -0.6540 | |
| 363 | P | A | -0.6590 | |
| 364 | H | A | -1.1096 | |
| 365 | W | A | 0.0808 | |
| 366 | V | A | 0.0000 | |
| 367 | R | A | -1.6238 | |
| 368 | G | A | -0.6836 | |
| 369 | A | A | 0.0307 | |
| 370 | L | A | 0.0408 | |
| 371 | L | A | -0.3439 | |
| 372 | G | A | -0.1668 | |
| 373 | C | A | 0.3972 | |
| 374 | V | A | 0.8217 | |
| 375 | P | A | 0.0000 | |
| 376 | R | A | -0.5771 | |
| 377 | W | A | 1.2045 | |
| 378 | L | A | 1.1018 | |
| 379 | L | A | 1.1500 | |
| 380 | M | A | -0.0151 | |
| 381 | N | A | -1.3834 | |
| 382 | R | A | -1.1574 | |
| 383 | P | A | -0.8653 | |
| 384 | P | A | -0.4777 | |
| 385 | P | A | -0.4218 | |
| 386 | P | A | 0.1170 | |
| 387 | V | A | 1.2144 | |
| 388 | E | A | -0.2211 | |
| 389 | L | A | 1.1954 | |
| 390 | C | A | 0.8393 | |
| 391 | H | A | -0.5138 | |
| 392 | P | A | 0.1412 | |
| 393 | L | A | 0.6263 | |
| 394 | R | A | -0.8129 | |
| 395 | L | A | 0.6957 | |
| 396 | K | A | -0.6094 | |
| 397 | L | A | 0.6651 | |
| 398 | S | A | 0.2382 | |
| 399 | P | A | -0.0139 | |
| 400 | S | A | 0.3076 | |
| 401 | Y | A | 1.1260 | |
| 402 | H | A | 0.3448 | |
| 403 | W | A | 1.2256 | |
| 404 | L | A | 0.9671 | |
| 405 | E | A | -1.0572 | |
| 406 | S | A | -0.8034 | |
| 407 | N | A | -1.2140 | |
| 408 | V | A | 0.0403 | |
| 409 | D | A | -1.6085 | |
| 410 | A | A | -1.8419 | |
| 411 | E | A | -3.4511 | |
| 412 | E | A | -3.8726 | |
| 413 | R | A | -3.6858 | |
| 414 | E | A | -1.8342 | |
| 415 | V | A | 1.6113 | |
| 416 | V | A | 2.7422 | |
| 417 | V | A | 1.7386 | |
| 418 | E | A | -1.8313 | |
| 419 | E | A | -3.5318 | |
| 420 | E | A | -4.3357 | |
| 421 | D | A | -3.8089 | |
| 422 | R | A | -2.6163 | |
| 423 | W | A | 0.0836 | |
| 424 | A | A | 0.6215 | |
| 425 | C | A | 0.9376 | |
| 426 | A | A | -0.0014 | |
| 427 | G | A | -0.3835 | |
| 428 | H | A | -0.2476 | |
| 429 | V | A | 1.1198 | |
| 430 | A | A | 0.5123 | |
| 431 | P | A | 0.3819 | |
| 432 | S | A | 0.4542 | |
| 433 | V | A | 1.3855 | |
| 434 | G | A | 0.6466 | |
| 435 | T | A | 1.0501 | |
| 436 | L | A | 1.7399 | |
| 437 | C | A | 1.2398 | |
| 438 | S | A | -0.1396 | |
| 439 | H | A | -1.4452 | |
| 440 | G | A | -1.2396 | |
| 441 | H | A | -0.7720 | |
| 442 | L | A | 0.3899 | |
| 443 | H | A | -0.6974 | |
| 444 | S | A | -0.6432 | |
| 445 | G | A | -0.7985 | |
| 446 | A | A | -0.4539 | |
| 447 | S | A | -0.5619 | |
| 448 | G | A | -0.9999 | |
| 449 | P | A | -1.5293 | |
| 450 | K | A | -2.3594 | |
| 451 | A | A | -1.5554 | |
| 452 | E | A | -1.7478 | |
| 453 | A | A | -0.0455 | |
| 454 | L | A | 1.4111 | |
| 455 | L | A | 1.0529 | |
| 456 | Q | A | -1.2272 | |
| 457 | E | A | -2.5079 | |
| 458 | G | A | -1.6362 | |
| 459 | E | A | -1.5167 | |
| 460 | L | A | 1.1861 | |
| 461 | L | A | 1.9071 | |
| 462 | L | A | 1.1625 | |
| 463 | S | A | 0.1298 | |
| 464 | P | A | -0.8822 | |
| 465 | H | A | -1.6558 | |
| 466 | M | A | -0.6155 | |
| 467 | Q | A | -1.5333 | |
| 468 | K | A | -2.5815 | |
| 469 | A | A | -0.9761 | |
| 470 | L | A | -0.3106 | |
| 471 | E | A | -1.6630 | |
| 472 | G | A | -0.1669 | |
| 473 | V | A | 1.1178 | |
| 474 | H | A | -0.1897 | |
| 475 | Y | A | 0.8633 | |
| 476 | I | A | 1.4501 | |
| 477 | A | A | -0.2262 | |
| 478 | D | A | -1.9073 | |
| 479 | H | A | -1.1119 | |
| 480 | L | A | -1.0945 | |
| 481 | R | A | -3.0881 | |
| 482 | S | A | -2.8595 | |
| 483 | E | A | -3.6281 | |
| 484 | D | A | -3.7414 | |
| 485 | A | A | -2.6356 | |
| 486 | D | A | -3.0209 | |
| 487 | S | A | -2.7247 | |
| 488 | S | A | -2.0812 | |
| 489 | V | A | -1.7593 | |
| 490 | K | A | -2.5656 | |
| 491 | E | A | -2.0516 | |
| 492 | D | A | -1.4593 | |
| 493 | W | A | 0.0000 | |
| 494 | K | A | -1.7674 | |
| 495 | Y | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | M | A | 0.4569 | |
| 499 | V | A | 0.0000 | |
| 500 | I | A | 0.0000 | |
| 501 | D | A | 0.0000 | |
| 502 | R | A | 0.7718 | |
| 503 | I | A | 1.1928 | |
| 504 | F | A | 1.4572 | |
| 505 | L | A | 1.8389 | |
| 506 | W | A | 2.1076 | |
| 507 | L | A | 2.0392 | |
| 508 | F | A | 0.0000 | |
| 509 | I | A | 2.9711 | |
| 510 | I | A | 3.0960 | |
| 511 | V | A | 2.7052 | |
| 512 | C | A | 2.7613 | |
| 513 | F | A | 3.5727 | |
| 514 | L | A | 3.1247 | |
| 515 | G | A | 1.7574 | |
| 516 | T | A | 1.7710 | |
| 517 | I | A | 2.1604 | |
| 518 | G | A | 0.9821 | |
| 519 | L | A | 0.0000 | |
| 520 | F | A | 2.3325 | |
| 521 | L | A | 2.5508 | |
| 522 | P | A | 1.9920 | |
| 523 | P | A | 0.0000 | |
| 524 | F | A | 3.8023 | |
| 525 | L | A | 2.9822 | |
| 526 | A | A | 1.7664 | |
| 527 | G | A | 1.4692 | |
| 528 | M | A | 1.6891 | |
| 529 | I | A | 3.1012 |
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 | 0.2761 | 7.4997 | View | CSV | PDB |
| 4.5 | 0.2116 | 7.5009 | View | CSV | PDB |
| 5.0 | 0.133 | 7.5046 | View | CSV | PDB |
| 5.5 | 0.0558 | 7.5145 | View | CSV | PDB |
| 6.0 | -0.0058 | 7.5363 | View | CSV | PDB |
| 6.5 | -0.043 | 7.5717 | View | CSV | PDB |
| 7.0 | -0.0564 | 7.6163 | View | CSV | PDB |
| 7.5 | -0.0542 | 7.6649 | View | CSV | PDB |
| 8.0 | -0.0436 | 7.715 | View | CSV | PDB |
| 8.5 | -0.0259 | 7.7981 | View | CSV | PDB |
| 9.0 | -0.0004 | 7.893 | 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