| Chain sequence(s) | MTVVPGDHLLEPEAAGGGGGDPPQGGCVSGGGCDRYEPLPPALPAAGEQDCCGERVVINISGLRFETQLKTLCQFPETLLGDPKRRMRYFDPLRNEYFFDRNRPSFDAILYYYQSGGRIRRPVNVPIDIFSEEIRFYQLGEEAMEKFREDEGFLREEERPLPRRDFQRQVWLLFEYPESSGPARGIAIVSVLVILISIVIFCLETLPEFRDEKDYPASPSQDVFEAANNSTSGASSGASSFSDPFFVVETLCIIWFSFELLVRFFACPSKATFSRNIMNLIDIVAIIPYFITLGTELAERQGNGQQAMSLAILRVIRLVRVFRIFKLSRHSKGLQILGQTLKASMRELGLLIFFLFIGVILFSSAVYFAEADDPSSGFNSIPDAFWWAVVTMTTVGYGDMHPVTIGGKIVGSLCAIAGVLTIALPVPVIVSNFNYFYHRETEGEEQAQYMHVGSCQHLSSSAEELRKARSNSTLSKSEYMVIEEGGMNHSAFPQTPFKTGNSTATCTTNNNPNSCVNIKKIFTDV 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:03)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/472f7a92bbecbc/tmp/folded.pdb (00:16:03)
[INFO] Main: Simulation completed successfully. (00:25:41)
|
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 | 1.4213 | |
| 2 | T | A | 1.6897 | |
| 3 | V | A | 2.7246 | |
| 4 | V | A | 2.1862 | |
| 5 | P | A | 0.5021 | |
| 6 | G | A | -1.0854 | |
| 7 | D | A | -2.0368 | |
| 8 | H | A | -0.8904 | |
| 9 | L | A | 0.9897 | |
| 10 | L | A | 0.9513 | |
| 11 | E | A | -1.2418 | |
| 12 | P | A | -1.6392 | |
| 13 | E | A | -2.1904 | |
| 14 | A | A | -1.1437 | |
| 15 | A | A | -0.6761 | |
| 16 | G | A | -0.9183 | |
| 17 | G | A | -1.0106 | |
| 18 | G | A | -1.1120 | |
| 19 | G | A | -1.4177 | |
| 20 | G | A | -1.7114 | |
| 21 | D | A | -2.2915 | |
| 22 | P | A | -1.6061 | |
| 23 | P | A | -1.4266 | |
| 24 | Q | A | -1.7125 | |
| 25 | G | A | -1.2069 | |
| 26 | G | A | -0.2716 | |
| 27 | C | A | 1.2258 | |
| 28 | V | A | 1.8236 | |
| 29 | S | A | 0.4882 | |
| 30 | G | A | -0.4920 | |
| 31 | G | A | -1.0245 | |
| 32 | G | A | -1.0364 | |
| 33 | C | A | -0.8128 | |
| 34 | D | A | -2.3812 | |
| 35 | R | A | -2.4550 | |
| 36 | Y | A | -0.7129 | |
| 37 | E | A | -1.6673 | |
| 38 | P | A | -0.3790 | |
| 39 | L | A | 0.9345 | |
| 40 | P | A | 0.2686 | |
| 41 | P | A | 0.3503 | |
| 42 | A | A | 0.8021 | |
| 43 | L | A | 1.3771 | |
| 44 | P | A | 0.2918 | |
| 45 | A | A | 0.0265 | |
| 46 | A | A | -0.5708 | |
| 47 | G | A | -1.8652 | |
| 48 | E | A | -2.9192 | |
| 49 | Q | A | -2.8221 | |
| 50 | D | A | -2.5896 | |
| 51 | C | A | -1.4944 | |
| 52 | C | A | -0.9536 | |
| 53 | G | A | -1.9278 | |
| 54 | E | A | -3.1422 | |
| 55 | R | A | -3.4125 | |
| 56 | V | A | 0.0000 | |
| 57 | V | A | -1.6347 | |
| 58 | I | A | 0.0000 | |
| 59 | N | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | S | A | -1.3512 | |
| 62 | G | A | -0.9761 | |
| 63 | L | A | -0.5474 | |
| 64 | R | A | -1.9136 | |
| 65 | F | A | -1.6510 | |
| 66 | E | A | -2.5817 | |
| 67 | T | A | 0.0000 | |
| 68 | Q | A | -2.5867 | |
| 69 | L | A | -1.8995 | |
| 70 | K | A | -1.9394 | |
| 71 | T | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | C | A | -0.9143 | |
| 74 | Q | A | -1.6792 | |
| 75 | F | A | -1.0816 | |
| 76 | P | A | -1.2574 | |
| 77 | E | A | -2.2710 | |
| 78 | T | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | L | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | D | A | -1.4479 | |
| 83 | P | A | -1.5365 | |
| 84 | K | A | -2.3420 | |
| 85 | R | A | -2.2239 | |
| 86 | R | A | 0.0000 | |
| 87 | M | A | -0.6667 | |
| 88 | R | A | -1.6525 | |
| 89 | Y | A | -0.2912 | |
| 90 | F | A | 0.1021 | |
| 91 | D | A | -0.4497 | |
| 92 | P | A | -0.5596 | |
| 93 | L | A | 0.1646 | |
| 94 | R | A | -1.6682 | |
| 95 | N | A | -1.6397 | |
| 96 | E | A | 0.0000 | |
| 97 | Y | A | 0.0000 | |
| 98 | F | A | -0.2673 | |
| 99 | F | A | 0.0000 | |
| 100 | D | A | -2.1168 | |
| 101 | R | A | -1.7088 | |
| 102 | N | A | -1.6599 | |
| 103 | R | A | -2.4425 | |
| 104 | P | A | -1.3979 | |
| 105 | S | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | D | A | -2.1854 | |
| 108 | A | A | 0.0000 | |
| 109 | I | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Y | A | -1.3148 | |
| 112 | Y | A | 0.0000 | |
| 113 | Y | A | 0.0000 | |
| 114 | Q | A | -1.8736 | |
| 115 | S | A | -1.3096 | |
| 116 | G | A | -1.4796 | |
| 117 | G | A | -1.9867 | |
| 118 | R | A | -2.7484 | |
| 119 | I | A | 0.0000 | |
| 120 | R | A | -2.9701 | |
| 121 | R | A | -1.2342 | |
| 122 | P | A | -0.4382 | |
| 123 | V | A | 0.6752 | |
| 124 | N | A | -0.4628 | |
| 125 | V | A | 0.0000 | |
| 126 | P | A | -0.1373 | |
| 127 | I | A | -0.5173 | |
| 128 | D | A | -1.6623 | |
| 129 | I | A | -0.6579 | |
| 130 | F | A | 0.0000 | |
| 131 | S | A | -1.7033 | |
| 132 | E | A | -2.6074 | |
| 133 | E | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | R | A | -2.7984 | |
| 136 | F | A | -1.2940 | |
| 137 | Y | A | 0.0000 | |
| 138 | Q | A | -1.9909 | |
| 139 | L | A | 0.0000 | |
| 140 | G | A | -2.4968 | |
| 141 | E | A | -3.5097 | |
| 142 | E | A | -3.4705 | |
| 143 | A | A | 0.0000 | |
| 144 | M | A | -3.0561 | |
| 145 | E | A | -3.7874 | |
| 146 | K | A | -4.2756 | |
| 147 | F | A | 0.0000 | |
| 148 | R | A | -3.3681 | |
| 149 | E | A | -3.7307 | |
| 150 | D | A | -3.7750 | |
| 151 | E | A | -2.4778 | |
| 152 | G | A | -1.8043 | |
| 153 | F | A | -1.7293 | |
| 154 | L | A | -1.5411 | |
| 155 | R | A | -3.4029 | |
| 156 | E | A | -3.8833 | |
| 157 | E | A | -4.1817 | |
| 158 | E | A | -4.0245 | |
| 159 | R | A | -2.6252 | |
| 160 | P | A | -1.5163 | |
| 161 | L | A | -1.2580 | |
| 162 | P | A | 0.0000 | |
| 163 | R | A | -2.9901 | |
| 164 | R | A | -3.3676 | |
| 165 | D | A | -2.7194 | |
| 166 | F | A | -0.3927 | |
| 167 | Q | A | -0.9906 | |
| 168 | R | A | -1.8439 | |
| 169 | Q | A | -1.2577 | |
| 170 | V | A | 0.1370 | |
| 171 | W | A | 0.0000 | |
| 172 | L | A | -0.0434 | |
| 173 | L | A | -0.5610 | |
| 174 | F | A | 0.0000 | |
| 175 | E | A | -0.1446 | |
| 176 | Y | A | -0.6437 | |
| 177 | P | A | -1.4215 | |
| 178 | E | A | -2.3818 | |
| 179 | S | A | -1.4374 | |
| 180 | S | A | -1.3528 | |
| 181 | G | A | -1.6002 | |
| 182 | P | A | -1.0515 | |
| 183 | A | A | 0.0000 | |
| 184 | R | A | -1.8375 | |
| 185 | G | A | -0.1556 | |
| 186 | I | A | 0.8139 | |
| 187 | A | A | 0.7516 | |
| 188 | I | A | 2.5706 | |
| 189 | V | A | 2.6545 | |
| 190 | S | A | 0.0000 | |
| 191 | V | A | 2.6382 | |
| 192 | L | A | 3.2884 | |
| 193 | V | A | 2.7098 | |
| 194 | I | A | 0.0000 | |
| 195 | L | A | 2.9111 | |
| 196 | I | A | 2.9889 | |
| 197 | S | A | 0.0000 | |
| 198 | I | A | 2.6998 | |
| 199 | V | A | 2.7052 | |
| 200 | I | A | 2.0039 | |
| 201 | F | A | 1.7237 | |
| 202 | C | A | 1.7638 | |
| 203 | L | A | 1.1240 | |
| 204 | E | A | 0.1307 | |
| 205 | T | A | -0.0256 | |
| 206 | L | A | 0.0037 | |
| 207 | P | A | -1.5035 | |
| 208 | E | A | -2.1353 | |
| 209 | F | A | -0.8466 | |
| 210 | R | A | -3.4890 | |
| 211 | D | A | -4.0446 | |
| 212 | E | A | -4.1256 | |
| 213 | K | A | -3.9390 | |
| 214 | D | A | -3.1548 | |
| 215 | Y | A | -0.8833 | |
| 216 | P | A | -0.6765 | |
| 217 | A | A | -0.5100 | |
| 218 | S | A | -0.3615 | |
| 219 | P | A | -1.1418 | |
| 220 | S | A | -1.3022 | |
| 221 | Q | A | -1.5089 | |
| 222 | D | A | -1.3668 | |
| 223 | V | A | 1.0182 | |
| 224 | F | A | 1.2989 | |
| 225 | E | A | -0.6584 | |
| 226 | A | A | -0.4699 | |
| 227 | A | A | -1.2179 | |
| 228 | N | A | -1.9418 | |
| 229 | N | A | -2.0603 | |
| 230 | S | A | -1.2596 | |
| 231 | T | A | -0.8229 | |
| 232 | S | A | -0.6775 | |
| 233 | G | A | -0.6765 | |
| 234 | A | A | -0.4858 | |
| 235 | S | A | -0.5707 | |
| 236 | S | A | -0.6053 | |
| 237 | G | A | -0.7034 | |
| 238 | A | A | -0.2562 | |
| 239 | S | A | 0.0468 | |
| 240 | S | A | 0.4809 | |
| 241 | F | A | 1.6867 | |
| 242 | S | A | 0.2818 | |
| 243 | D | A | -0.1649 | |
| 244 | P | A | 0.1562 | |
| 245 | F | A | 0.8649 | |
| 246 | F | A | 0.9815 | |
| 247 | V | A | 1.4611 | |
| 248 | V | A | 1.7578 | |
| 249 | E | A | 1.4233 | |
| 250 | T | A | 0.0000 | |
| 251 | L | A | 2.5340 | |
| 252 | C | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | I | A | 2.7880 | |
| 255 | W | A | 2.0648 | |
| 256 | F | A | 0.0000 | |
| 257 | S | A | 1.7960 | |
| 258 | F | A | 2.1013 | |
| 259 | E | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | L | A | 2.0988 | |
| 262 | V | A | 1.8353 | |
| 263 | R | A | 0.0000 | |
| 264 | F | A | 1.9903 | |
| 265 | F | A | 2.4312 | |
| 266 | A | A | 0.0000 | |
| 267 | C | A | 0.0000 | |
| 268 | P | A | -0.6314 | |
| 269 | S | A | -0.2190 | |
| 270 | K | A | -0.7872 | |
| 271 | A | A | -1.0832 | |
| 272 | T | A | -1.2439 | |
| 273 | F | A | 0.0000 | |
| 274 | S | A | -0.9534 | |
| 275 | R | A | -1.9165 | |
| 276 | N | A | -0.8228 | |
| 277 | I | A | 0.9303 | |
| 278 | M | A | 0.7272 | |
| 279 | N | A | 0.0000 | |
| 280 | L | A | 1.1650 | |
| 281 | I | A | 0.0000 | |
| 282 | D | A | 0.0000 | |
| 283 | I | A | 1.4983 | |
| 284 | V | A | 1.7424 | |
| 285 | A | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | I | A | 2.0071 | |
| 288 | P | A | 0.0000 | |
| 289 | Y | A | 1.3831 | |
| 290 | F | A | 2.0830 | |
| 291 | I | A | 1.9233 | |
| 292 | T | A | 0.0000 | |
| 293 | L | A | 0.8773 | |
| 294 | G | A | 0.5544 | |
| 295 | T | A | -0.6378 | |
| 296 | E | A | -1.2320 | |
| 297 | L | A | -0.5707 | |
| 298 | A | A | -1.9644 | |
| 299 | E | A | -3.5767 | |
| 300 | R | A | -3.2560 | |
| 301 | Q | A | -2.9710 | |
| 302 | G | A | -2.9079 | |
| 303 | N | A | -3.0931 | |
| 304 | G | A | -2.7729 | |
| 305 | Q | A | -2.2824 | |
| 306 | Q | A | -1.9610 | |
| 307 | A | A | -0.1224 | |
| 308 | M | A | 0.6653 | |
| 309 | S | A | 0.0285 | |
| 310 | L | A | 1.0889 | |
| 311 | A | A | 1.0887 | |
| 312 | I | A | 1.8153 | |
| 313 | L | A | 1.1819 | |
| 314 | R | A | -0.0754 | |
| 315 | V | A | 1.9393 | |
| 316 | I | A | 0.0000 | |
| 317 | R | A | 0.6397 | |
| 318 | L | A | 2.2351 | |
| 319 | V | A | 2.2615 | |
| 320 | R | A | 0.0000 | |
| 321 | V | A | 2.7717 | |
| 322 | F | A | 2.4895 | |
| 323 | R | A | 0.0000 | |
| 324 | I | A | 2.2085 | |
| 325 | F | A | 2.0196 | |
| 326 | K | A | 0.0000 | |
| 327 | L | A | 0.8887 | |
| 328 | S | A | 0.0000 | |
| 329 | R | A | -0.4033 | |
| 330 | H | A | -0.2588 | |
| 331 | S | A | -0.8310 | |
| 332 | K | A | -1.8389 | |
| 333 | G | A | -0.8291 | |
| 334 | L | A | -0.2781 | |
| 335 | Q | A | -0.8984 | |
| 336 | I | A | 0.0000 | |
| 337 | L | A | 0.1395 | |
| 338 | G | A | -0.5262 | |
| 339 | Q | A | -0.8850 | |
| 340 | T | A | 0.0000 | |
| 341 | L | A | -0.2521 | |
| 342 | K | A | -1.4875 | |
| 343 | A | A | -0.7002 | |
| 344 | S | A | 0.0000 | |
| 345 | M | A | -0.1197 | |
| 346 | R | A | -1.3830 | |
| 347 | E | A | 0.4772 | |
| 348 | L | A | 0.8344 | |
| 349 | G | A | 0.8290 | |
| 350 | L | A | 2.0008 | |
| 351 | L | A | 2.5270 | |
| 352 | I | A | 3.3772 | |
| 353 | F | A | 4.1539 | |
| 354 | F | A | 3.4897 | |
| 355 | L | A | 3.6321 | |
| 356 | F | A | 4.8342 | |
| 357 | I | A | 4.1604 | |
| 358 | G | A | 3.1654 | |
| 359 | V | A | 0.0000 | |
| 360 | I | A | 3.9352 | |
| 361 | L | A | 3.2355 | |
| 362 | F | A | 2.3293 | |
| 363 | S | A | 0.0000 | |
| 364 | S | A | 1.8662 | |
| 365 | A | A | 1.6994 | |
| 366 | V | A | 0.0000 | |
| 367 | Y | A | 0.8663 | |
| 368 | F | A | 1.8828 | |
| 369 | A | A | 1.1382 | |
| 370 | E | A | 0.0000 | |
| 371 | A | A | -0.5325 | |
| 372 | D | A | -1.7224 | |
| 373 | D | A | -1.3491 | |
| 374 | P | A | -1.2212 | |
| 375 | S | A | -0.6142 | |
| 376 | S | A | -0.9165 | |
| 377 | G | A | -1.3403 | |
| 378 | F | A | 0.0000 | |
| 379 | N | A | -1.5443 | |
| 380 | S | A | -0.4859 | |
| 381 | I | A | 0.9440 | |
| 382 | P | A | 0.0829 | |
| 383 | D | A | -0.7362 | |
| 384 | A | A | 0.0000 | |
| 385 | F | A | 1.9186 | |
| 386 | W | A | 0.9444 | |
| 387 | W | A | 0.0000 | |
| 388 | A | A | 0.0000 | |
| 389 | V | A | 1.8223 | |
| 390 | V | A | 0.0000 | |
| 391 | T | A | 1.1080 | |
| 392 | M | A | 0.0000 | |
| 393 | T | A | 1.0360 | |
| 394 | T | A | 1.3552 | |
| 395 | V | A | 1.6699 | |
| 396 | G | A | 0.4306 | |
| 397 | Y | A | 0.6400 | |
| 398 | G | A | -0.8664 | |
| 399 | D | A | -1.8333 | |
| 400 | M | A | -1.1723 | |
| 401 | H | A | -1.3595 | |
| 402 | P | A | 0.0000 | |
| 403 | V | A | 0.9644 | |
| 404 | T | A | 0.9779 | |
| 405 | I | A | 2.2059 | |
| 406 | G | A | 1.4511 | |
| 407 | G | A | 0.0000 | |
| 408 | K | A | 0.4667 | |
| 409 | I | A | 1.7904 | |
| 410 | V | A | 1.3705 | |
| 411 | G | A | 0.7697 | |
| 412 | S | A | 1.1885 | |
| 413 | L | A | 2.1341 | |
| 414 | C | A | 0.0000 | |
| 415 | A | A | 2.1521 | |
| 416 | I | A | 3.3450 | |
| 417 | A | A | 2.5806 | |
| 418 | G | A | 0.0000 | |
| 419 | V | A | 3.5110 | |
| 420 | L | A | 3.4029 | |
| 421 | T | A | 2.9803 | |
| 422 | I | A | 2.4814 | |
| 423 | A | A | 2.2231 | |
| 424 | L | A | 2.4362 | |
| 425 | P | A | 0.0000 | |
| 426 | V | A | 1.8642 | |
| 427 | P | A | 1.4139 | |
| 428 | V | A | 1.5964 | |
| 429 | I | A | 1.6691 | |
| 430 | V | A | 1.7168 | |
| 431 | S | A | 1.2836 | |
| 432 | N | A | 0.9106 | |
| 433 | F | A | 0.9088 | |
| 434 | N | A | -0.1020 | |
| 435 | Y | A | 0.4569 | |
| 436 | F | A | 0.0133 | |
| 437 | Y | A | -0.2658 | |
| 438 | H | A | -1.2905 | |
| 439 | R | A | -1.9750 | |
| 440 | E | A | -2.3881 | |
| 441 | T | A | -2.4083 | |
| 442 | E | A | -2.9922 | |
| 443 | G | A | -3.3241 | |
| 444 | E | A | -3.6292 | |
| 445 | E | A | -3.0808 | |
| 446 | Q | A | -1.8185 | |
| 447 | A | A | -1.4308 | |
| 448 | Q | A | -1.6856 | |
| 449 | Y | A | 0.3182 | |
| 450 | M | A | 0.6746 | |
| 451 | H | A | -0.2868 | |
| 452 | V | A | 0.5159 | |
| 453 | G | A | -0.2743 | |
| 454 | S | A | -0.1836 | |
| 455 | C | A | -0.1789 | |
| 456 | Q | A | -1.3084 | |
| 457 | H | A | -1.0900 | |
| 458 | L | A | 0.0449 | |
| 459 | S | A | -0.9367 | |
| 460 | S | A | -1.1081 | |
| 461 | S | A | -1.3057 | |
| 462 | A | A | -1.7483 | |
| 463 | E | A | -3.5380 | |
| 464 | E | A | -3.8186 | |
| 465 | L | A | -2.6650 | |
| 466 | R | A | -4.3196 | |
| 467 | K | A | -4.1576 | |
| 468 | A | A | -2.9976 | |
| 469 | R | A | -3.5300 | |
| 470 | S | A | -2.5697 | |
| 471 | N | A | -2.4857 | |
| 472 | S | A | -1.0526 | |
| 473 | T | A | -0.0240 | |
| 474 | L | A | 1.0199 | |
| 475 | S | A | -0.5130 | |
| 476 | K | A | -1.9583 | |
| 477 | S | A | -1.7159 | |
| 478 | E | A | -1.5331 | |
| 479 | Y | A | 1.3283 | |
| 480 | M | A | 2.5083 | |
| 481 | V | A | 3.1340 | |
| 482 | I | A | 1.9085 | |
| 483 | E | A | -1.3464 | |
| 484 | E | A | -2.5628 | |
| 485 | G | A | -1.5300 | |
| 486 | G | A | -1.1968 | |
| 487 | M | A | -0.1228 | |
| 488 | N | A | -1.4129 | |
| 489 | H | A | -1.5346 | |
| 490 | S | A | -0.4948 | |
| 491 | A | A | 0.3908 | |
| 492 | F | A | 1.5510 | |
| 493 | P | A | 0.0986 | |
| 494 | Q | A | -0.8248 | |
| 495 | T | A | -0.1943 | |
| 496 | P | A | 0.0052 | |
| 497 | F | A | 0.7804 | |
| 498 | K | A | -1.0807 | |
| 499 | T | A | -1.0995 | |
| 500 | G | A | -1.3928 | |
| 501 | N | A | -1.8082 | |
| 502 | S | A | -0.9887 | |
| 503 | T | A | -0.4518 | |
| 504 | A | A | -0.0278 | |
| 505 | T | A | 0.2421 | |
| 506 | C | A | 0.4956 | |
| 507 | T | A | -0.2606 | |
| 508 | T | A | -1.0972 | |
| 509 | N | A | -2.2150 | |
| 510 | N | A | -2.8029 | |
| 511 | N | A | -2.7692 | |
| 512 | P | A | -1.8865 | |
| 513 | N | A | -1.5512 | |
| 514 | S | A | -0.5564 | |
| 515 | C | A | 0.9793 | |
| 516 | V | A | 1.4580 | |
| 517 | N | A | 0.2215 | |
| 518 | I | A | 1.6057 | |
| 519 | K | A | 0.0872 | |
| 520 | K | A | -0.5311 | |
| 521 | I | A | 1.8646 | |
| 522 | F | A | 2.1756 | |
| 523 | T | A | 0.4535 | |
| 524 | D | A | -0.3080 | |
| 525 | V | A | 1.3962 |
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 | 0.2831 | 8.9776 | View | CSV | PDB |
| 4.5 | 0.2077 | 8.9776 | View | CSV | PDB |
| 5.0 | 0.1123 | 8.9776 | View | CSV | PDB |
| 5.5 | 0.0137 | 8.9776 | View | CSV | PDB |
| 6.0 | -0.0719 | 8.9776 | View | CSV | PDB |
| 6.5 | -0.1331 | 8.9776 | View | CSV | PDB |
| 7.0 | -0.1676 | 8.9776 | View | CSV | PDB |
| 7.5 | -0.1832 | 8.9776 | View | CSV | PDB |
| 8.0 | -0.1882 | 8.9776 | View | CSV | PDB |
| 8.5 | -0.1857 | 8.9776 | View | CSV | PDB |
| 9.0 | -0.1751 | 8.9776 | 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