| Chain sequence(s) | MSNNGVDIQDKPPAPPMRNTSTMIGAGSKDTGTLNHGSKPLPPNPEEKKKKDRFYRSILPGDKTNKKREKERPEISLPSDFEHTIHVGFDAVTGEFTGMPEQWARLLQTSNITKSEQKKNPQAVLDVLEFYNSKKTSNSKKYMSFTDKSAEDYNSSNTLNVKTVSETPAVPPVSEDDEDDDDDATPPPVIAPRPEHTKSVYTRSVIEPLPVTPTRDVATSPISPTENNTTPPDALTRNTEKQKKKPKMSDEEILEKLRSIVSVGDPKKKYTPFEKIGQGASGTVYTAMDVATGQEVAIKQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLQCCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLMHAAKEATKNNH 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 (00:15:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f3efc10d9d148e/tmp/folded.pdb (00:15:53)
[INFO] Main: Simulation completed successfully. (00:25:22)
|
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 | 0.6914 | |
| 2 | S | A | -0.5696 | |
| 3 | N | A | -1.8880 | |
| 4 | N | A | -1.7718 | |
| 5 | G | A | -0.8769 | |
| 6 | V | A | 0.7653 | |
| 7 | D | A | -0.3949 | |
| 8 | I | A | 0.5223 | |
| 9 | Q | A | -1.7516 | |
| 10 | D | A | -3.0537 | |
| 11 | K | A | -3.0314 | |
| 12 | P | A | -1.6039 | |
| 13 | P | A | -1.0421 | |
| 14 | A | A | -0.3575 | |
| 15 | P | A | -0.4280 | |
| 16 | P | A | -0.5680 | |
| 17 | M | A | -0.4183 | |
| 18 | R | A | -2.0967 | |
| 19 | N | A | -1.9790 | |
| 20 | T | A | -1.0162 | |
| 21 | S | A | -0.3728 | |
| 22 | T | A | 0.6281 | |
| 23 | M | A | 1.9589 | |
| 24 | I | A | 2.2898 | |
| 25 | G | A | 0.6492 | |
| 26 | A | A | -0.0894 | |
| 27 | G | A | -0.8232 | |
| 28 | S | A | -1.8319 | |
| 29 | K | A | -2.8070 | |
| 30 | D | A | -2.8281 | |
| 31 | T | A | -1.5488 | |
| 32 | G | A | -0.6424 | |
| 33 | T | A | -0.1041 | |
| 34 | L | A | 0.5685 | |
| 35 | N | A | -1.1861 | |
| 36 | H | A | -1.6297 | |
| 37 | G | A | -1.6697 | |
| 38 | S | A | -1.5461 | |
| 39 | K | A | -1.7216 | |
| 40 | P | A | -0.5609 | |
| 41 | L | A | 0.9014 | |
| 42 | P | A | 0.0579 | |
| 43 | P | A | -0.7316 | |
| 44 | N | A | -1.9955 | |
| 45 | P | A | -2.2278 | |
| 46 | E | A | -3.4339 | |
| 47 | E | A | -3.9242 | |
| 48 | K | A | -4.1254 | |
| 49 | K | A | -4.0901 | |
| 50 | K | A | -4.1150 | |
| 51 | K | A | -4.2902 | |
| 52 | D | A | -3.6221 | |
| 53 | R | A | -1.7637 | |
| 54 | F | A | 0.8259 | |
| 55 | Y | A | 0.8411 | |
| 56 | R | A | -0.4617 | |
| 57 | S | A | 0.2938 | |
| 58 | I | A | 2.2085 | |
| 59 | L | A | 2.2234 | |
| 60 | P | A | 0.4530 | |
| 61 | G | A | -1.4562 | |
| 62 | D | A | -2.9184 | |
| 63 | K | A | -3.1326 | |
| 64 | T | A | -2.2223 | |
| 65 | N | A | -2.8503 | |
| 66 | K | A | -3.7381 | |
| 67 | K | A | -4.0448 | |
| 68 | R | A | -4.2641 | |
| 69 | E | A | -4.5852 | |
| 70 | K | A | -4.3464 | |
| 71 | E | A | -4.2937 | |
| 72 | R | A | -3.7029 | |
| 73 | P | A | -2.1567 | |
| 74 | E | A | -1.5500 | |
| 75 | I | A | 1.0585 | |
| 76 | S | A | 0.9617 | |
| 77 | L | A | 1.5402 | |
| 78 | P | A | 0.6068 | |
| 79 | S | A | -0.5131 | |
| 80 | D | A | -1.4711 | |
| 81 | F | A | -0.1441 | |
| 82 | E | A | -1.6400 | |
| 83 | H | A | -1.0611 | |
| 84 | T | A | -0.1829 | |
| 85 | I | A | 0.7701 | |
| 86 | H | A | -0.3123 | |
| 87 | V | A | 0.0553 | |
| 88 | G | A | -0.5151 | |
| 89 | F | A | -0.5096 | |
| 90 | D | A | -0.5090 | |
| 91 | A | A | -0.0511 | |
| 92 | V | A | 1.2134 | |
| 93 | T | A | -0.0096 | |
| 94 | G | A | 0.0000 | |
| 95 | E | A | -2.0847 | |
| 96 | F | A | -0.8993 | |
| 97 | T | A | -0.7777 | |
| 98 | G | A | -0.6020 | |
| 99 | M | A | -0.5878 | |
| 100 | P | A | -1.1795 | |
| 101 | E | A | -2.7149 | |
| 102 | Q | A | -2.3037 | |
| 103 | W | A | 0.0000 | |
| 104 | A | A | -2.0040 | |
| 105 | R | A | -2.9526 | |
| 106 | L | A | -1.7401 | |
| 107 | L | A | 0.0000 | |
| 108 | Q | A | -2.2849 | |
| 109 | T | A | -1.5007 | |
| 110 | S | A | 0.0000 | |
| 111 | N | A | -2.0225 | |
| 112 | I | A | 0.0000 | |
| 113 | T | A | -1.9582 | |
| 114 | K | A | -3.1196 | |
| 115 | S | A | -2.1597 | |
| 116 | E | A | -2.3083 | |
| 117 | Q | A | -2.5604 | |
| 118 | K | A | -3.0414 | |
| 119 | K | A | -3.0175 | |
| 120 | N | A | -1.9348 | |
| 121 | P | A | -1.9699 | |
| 122 | Q | A | -1.5448 | |
| 123 | A | A | -1.0017 | |
| 124 | V | A | 0.0000 | |
| 125 | L | A | -0.4034 | |
| 126 | D | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | E | A | -1.1768 | |
| 130 | F | A | 0.0000 | |
| 131 | Y | A | -0.6649 | |
| 132 | N | A | -1.2956 | |
| 133 | S | A | -0.9386 | |
| 134 | K | A | 0.0000 | |
| 135 | K | A | -2.2298 | |
| 136 | T | A | -1.0962 | |
| 137 | S | A | -1.1627 | |
| 138 | N | A | -1.3867 | |
| 139 | S | A | -1.5763 | |
| 140 | K | A | -1.5586 | |
| 141 | K | A | -0.6149 | |
| 142 | Y | A | 0.9503 | |
| 143 | M | A | 1.2201 | |
| 144 | S | A | 1.2242 | |
| 145 | F | A | 1.5715 | |
| 146 | T | A | -0.2190 | |
| 147 | D | A | -2.3010 | |
| 148 | K | A | -2.7567 | |
| 149 | S | A | -1.8928 | |
| 150 | A | A | -1.8131 | |
| 151 | E | A | -2.6235 | |
| 152 | D | A | -2.3166 | |
| 153 | Y | A | -0.6315 | |
| 154 | N | A | -1.1608 | |
| 155 | S | A | -0.9557 | |
| 156 | S | A | -1.1136 | |
| 157 | N | A | -1.1400 | |
| 158 | T | A | -0.2887 | |
| 159 | L | A | 0.9802 | |
| 160 | N | A | 0.0486 | |
| 161 | V | A | 0.6959 | |
| 162 | K | A | -0.7304 | |
| 163 | T | A | 0.1849 | |
| 164 | V | A | 0.8575 | |
| 165 | S | A | -0.4146 | |
| 166 | E | A | -1.6590 | |
| 167 | T | A | -1.1026 | |
| 168 | P | A | -0.2498 | |
| 169 | A | A | 0.6854 | |
| 170 | V | A | 1.5757 | |
| 171 | P | A | 0.8373 | |
| 172 | P | A | 0.7549 | |
| 173 | V | A | 1.0976 | |
| 174 | S | A | -0.5900 | |
| 175 | E | A | -2.9111 | |
| 176 | D | A | -4.0789 | |
| 177 | D | A | -4.4456 | |
| 178 | E | A | -4.4122 | |
| 179 | D | A | -4.5140 | |
| 180 | D | A | -4.5099 | |
| 181 | D | A | -4.3504 | |
| 182 | D | A | -4.1260 | |
| 183 | D | A | -3.3086 | |
| 184 | A | A | -1.6566 | |
| 185 | T | A | -1.0050 | |
| 186 | P | A | -0.4120 | |
| 187 | P | A | 0.0124 | |
| 188 | P | A | 0.6068 | |
| 189 | V | A | 1.8994 | |
| 190 | I | A | 1.5261 | |
| 191 | A | A | 0.7594 | |
| 192 | P | A | -0.1985 | |
| 193 | R | A | -1.2732 | |
| 194 | P | A | -1.7900 | |
| 195 | E | A | -2.9565 | |
| 196 | H | A | -2.5092 | |
| 197 | T | A | -2.0502 | |
| 198 | K | A | -2.5987 | |
| 199 | S | A | 0.0000 | |
| 200 | V | A | 0.3728 | |
| 201 | Y | A | 1.0302 | |
| 202 | T | A | -0.5025 | |
| 203 | R | A | -0.8174 | |
| 204 | S | A | 0.5698 | |
| 205 | V | A | 1.7556 | |
| 206 | I | A | 1.7013 | |
| 207 | E | A | -0.2319 | |
| 208 | P | A | 0.0004 | |
| 209 | L | A | 1.2784 | |
| 210 | P | A | 1.2543 | |
| 211 | V | A | 1.8676 | |
| 212 | T | A | 0.5740 | |
| 213 | P | A | -0.2963 | |
| 214 | T | A | -1.3905 | |
| 215 | R | A | -2.4823 | |
| 216 | D | A | -1.8441 | |
| 217 | V | A | 0.5001 | |
| 218 | A | A | 0.4696 | |
| 219 | T | A | 0.1427 | |
| 220 | S | A | -0.0011 | |
| 221 | P | A | 0.5346 | |
| 222 | I | A | 1.7088 | |
| 223 | S | A | 0.5418 | |
| 224 | P | A | -0.3526 | |
| 225 | T | A | -1.3161 | |
| 226 | E | A | -2.7461 | |
| 227 | N | A | -2.7833 | |
| 228 | N | A | -2.2770 | |
| 229 | T | A | -1.0082 | |
| 230 | T | A | -0.5436 | |
| 231 | P | A | -0.8022 | |
| 232 | P | A | -1.2443 | |
| 233 | D | A | -1.5865 | |
| 234 | A | A | -0.1663 | |
| 235 | L | A | 0.6844 | |
| 236 | T | A | -0.6713 | |
| 237 | R | A | -2.1390 | |
| 238 | N | A | -2.8724 | |
| 239 | T | A | -2.5482 | |
| 240 | E | A | -3.5372 | |
| 241 | K | A | -4.0482 | |
| 242 | Q | A | -4.0538 | |
| 243 | K | A | -4.3205 | |
| 244 | K | A | -4.2335 | |
| 245 | K | A | -3.6544 | |
| 246 | P | A | -2.5521 | |
| 247 | K | A | -3.0392 | |
| 248 | M | A | -2.4462 | |
| 249 | S | A | -2.8504 | |
| 250 | D | A | -4.1363 | |
| 251 | E | A | -4.1070 | |
| 252 | E | A | -4.4319 | |
| 253 | I | A | 0.0000 | |
| 254 | L | A | -3.2596 | |
| 255 | E | A | -3.9471 | |
| 256 | K | A | -3.0563 | |
| 257 | L | A | 0.0000 | |
| 258 | R | A | -1.7031 | |
| 259 | S | A | -1.1139 | |
| 260 | I | A | -0.2658 | |
| 261 | V | A | 0.2273 | |
| 262 | S | A | 0.5049 | |
| 263 | V | A | 1.3375 | |
| 264 | G | A | -0.4303 | |
| 265 | D | A | -1.6794 | |
| 266 | P | A | 0.0000 | |
| 267 | K | A | -2.7963 | |
| 268 | K | A | -2.7406 | |
| 269 | K | A | -1.5014 | |
| 270 | Y | A | 0.0000 | |
| 271 | T | A | -0.7080 | |
| 272 | P | A | -0.3834 | |
| 273 | F | A | -0.7148 | |
| 274 | E | A | -1.9439 | |
| 275 | K | A | -1.9112 | |
| 276 | I | A | -0.1545 | |
| 277 | G | A | -0.7909 | |
| 278 | Q | A | -1.0757 | |
| 279 | G | A | -0.5911 | |
| 280 | A | A | -0.5539 | |
| 281 | S | A | -0.8636 | |
| 282 | G | A | -0.9153 | |
| 283 | T | A | -0.7840 | |
| 284 | V | A | -0.4378 | |
| 285 | Y | A | -0.6036 | |
| 286 | T | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | M | A | -0.3251 | |
| 289 | D | A | 0.0000 | |
| 290 | V | A | 0.9463 | |
| 291 | A | A | 0.5465 | |
| 292 | T | A | -0.2422 | |
| 293 | G | A | -0.6193 | |
| 294 | Q | A | -1.3519 | |
| 295 | E | A | -1.3983 | |
| 296 | V | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | K | A | -0.5447 | |
| 300 | Q | A | -0.4066 | |
| 301 | M | A | 0.0000 | |
| 302 | N | A | -1.9594 | |
| 303 | L | A | 0.0000 | |
| 304 | Q | A | -2.7496 | |
| 305 | Q | A | -2.6166 | |
| 306 | Q | A | -2.0209 | |
| 307 | P | A | -1.7077 | |
| 308 | K | A | -2.0385 | |
| 309 | K | A | -1.9664 | |
| 310 | E | A | -2.2396 | |
| 311 | L | A | -0.8534 | |
| 312 | I | A | 0.0000 | |
| 313 | I | A | 0.0000 | |
| 314 | N | A | -1.2052 | |
| 315 | E | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | L | A | -0.8740 | |
| 318 | V | A | 0.0000 | |
| 319 | M | A | 0.0000 | |
| 320 | R | A | -2.6298 | |
| 321 | E | A | -2.9562 | |
| 322 | N | A | 0.0000 | |
| 323 | K | A | -2.7969 | |
| 324 | N | A | -1.5317 | |
| 325 | P | A | -0.9370 | |
| 326 | N | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | N | A | -1.1320 | |
| 330 | Y | A | 0.0000 | |
| 331 | L | A | 0.2607 | |
| 332 | D | A | -0.0890 | |
| 333 | S | A | 0.0000 | |
| 334 | Y | A | 0.0000 | |
| 335 | L | A | -0.1462 | |
| 336 | V | A | -0.4843 | |
| 337 | G | A | -1.0198 | |
| 338 | D | A | -2.1399 | |
| 339 | E | A | -1.5906 | |
| 340 | L | A | 0.0000 | |
| 341 | W | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | M | A | 0.0000 | |
| 345 | E | A | -0.4245 | |
| 346 | Y | A | -0.0978 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | -0.1244 | |
| 349 | G | A | 0.0000 | |
| 350 | G | A | -0.1746 | |
| 351 | S | A | -0.5275 | |
| 352 | L | A | 0.0000 | |
| 353 | T | A | -0.8674 | |
| 354 | D | A | -1.1478 | |
| 355 | V | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | T | A | -0.8752 | |
| 358 | E | A | -1.5142 | |
| 359 | T | A | 0.0000 | |
| 360 | C | A | -0.0622 | |
| 361 | M | A | -0.2935 | |
| 362 | D | A | -1.2480 | |
| 363 | E | A | -0.6298 | |
| 364 | G | A | 0.0000 | |
| 365 | Q | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | C | A | 0.0000 | |
| 371 | R | A | -0.8307 | |
| 372 | E | A | 0.0000 | |
| 373 | C | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | Q | A | -1.0605 | |
| 376 | A | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | E | A | -1.4966 | |
| 379 | F | A | -0.8629 | |
| 380 | L | A | 0.0000 | |
| 381 | H | A | -1.1017 | |
| 382 | S | A | -0.9823 | |
| 383 | N | A | -1.3489 | |
| 384 | Q | A | -1.2062 | |
| 385 | V | A | 0.0000 | |
| 386 | I | A | 0.0000 | |
| 387 | H | A | 0.0000 | |
| 388 | R | A | -0.2281 | |
| 389 | D | A | 0.0000 | |
| 390 | I | A | 0.0000 | |
| 391 | K | A | -0.5322 | |
| 392 | S | A | 0.0000 | |
| 393 | D | A | -1.2404 | |
| 394 | N | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | L | A | -0.0396 | |
| 397 | L | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | M | A | -0.6586 | |
| 400 | D | A | -1.6367 | |
| 401 | G | A | 0.0000 | |
| 402 | S | A | -0.5331 | |
| 403 | V | A | 0.0000 | |
| 404 | K | A | -0.3356 | |
| 405 | L | A | 0.0000 | |
| 406 | T | A | -0.3563 | |
| 407 | D | A | -0.4785 | |
| 408 | F | A | 0.0000 | |
| 409 | G | A | -0.3595 | |
| 410 | F | A | 0.0000 | |
| 411 | C | A | 0.0000 | |
| 412 | A | A | -0.8025 | |
| 413 | Q | A | -1.4870 | |
| 414 | I | A | 0.0000 | |
| 415 | T | A | -1.7421 | |
| 416 | P | A | -1.7586 | |
| 417 | E | A | -2.7117 | |
| 418 | Q | A | -2.7456 | |
| 419 | S | A | -2.1144 | |
| 420 | K | A | -2.3835 | |
| 421 | R | A | -1.7777 | |
| 422 | S | A | -1.2630 | |
| 423 | T | A | -0.6327 | |
| 424 | M | A | -0.3655 | |
| 425 | V | A | 0.1513 | |
| 426 | G | A | 0.0000 | |
| 427 | T | A | 0.0891 | |
| 428 | P | A | 0.0000 | |
| 429 | Y | A | 0.0000 | |
| 430 | W | A | 0.0000 | |
| 431 | M | A | 0.0000 | |
| 432 | A | A | 0.0000 | |
| 433 | P | A | 0.0000 | |
| 434 | E | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | V | A | 0.0000 | |
| 437 | T | A | -0.9936 | |
| 438 | R | A | -1.6934 | |
| 439 | K | A | -2.2638 | |
| 440 | A | A | -1.5485 | |
| 441 | Y | A | 0.0000 | |
| 442 | G | A | -1.0777 | |
| 443 | P | A | -0.7236 | |
| 444 | K | A | -0.7183 | |
| 445 | V | A | 0.0000 | |
| 446 | D | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | W | A | 0.0000 | |
| 449 | S | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | G | A | 0.0000 | |
| 452 | I | A | 0.0000 | |
| 453 | M | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | I | A | 0.0000 | |
| 456 | E | A | 0.0000 | |
| 457 | M | A | 0.0000 | |
| 458 | I | A | -0.4049 | |
| 459 | E | A | -0.8468 | |
| 460 | G | A | 0.0000 | |
| 461 | E | A | -0.5356 | |
| 462 | P | A | 0.0000 | |
| 463 | P | A | -0.5827 | |
| 464 | Y | A | -0.4668 | |
| 465 | L | A | -0.5780 | |
| 466 | N | A | -1.2513 | |
| 467 | E | A | -1.6023 | |
| 468 | N | A | -1.4525 | |
| 469 | P | A | -0.6239 | |
| 470 | L | A | 0.0000 | |
| 471 | R | A | -0.9646 | |
| 472 | A | A | 0.0000 | |
| 473 | L | A | 0.0000 | |
| 474 | Y | A | 0.0000 | |
| 475 | L | A | -0.2570 | |
| 476 | I | A | 0.0000 | |
| 477 | A | A | -0.4339 | |
| 478 | T | A | -0.7886 | |
| 479 | N | A | -1.3161 | |
| 480 | G | A | -0.7232 | |
| 481 | T | A | -0.8839 | |
| 482 | P | A | -1.3628 | |
| 483 | E | A | -2.3279 | |
| 484 | L | A | -1.9172 | |
| 485 | Q | A | -2.6548 | |
| 486 | N | A | -3.0233 | |
| 487 | P | A | -2.6745 | |
| 488 | E | A | -3.2377 | |
| 489 | K | A | -3.0618 | |
| 490 | L | A | -1.6936 | |
| 491 | S | A | -0.9374 | |
| 492 | A | A | -0.7694 | |
| 493 | I | A | -0.4681 | |
| 494 | F | A | 0.0000 | |
| 495 | R | A | -1.9977 | |
| 496 | D | A | -2.4040 | |
| 497 | F | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | Q | A | -1.8985 | |
| 500 | C | A | -1.5393 | |
| 501 | C | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | E | A | -1.2808 | |
| 504 | M | A | -0.6219 | |
| 505 | D | A | -1.6260 | |
| 506 | V | A | -1.4897 | |
| 507 | E | A | -2.7487 | |
| 508 | K | A | -2.7332 | |
| 509 | R | A | 0.0000 | |
| 510 | G | A | 0.0000 | |
| 511 | S | A | -1.7384 | |
| 512 | A | A | 0.0000 | |
| 513 | K | A | -2.9853 | |
| 514 | E | A | -2.9880 | |
| 515 | L | A | 0.0000 | |
| 516 | L | A | -2.0681 | |
| 517 | Q | A | -2.5846 | |
| 518 | H | A | -2.2268 | |
| 519 | Q | A | -1.8839 | |
| 520 | F | A | 0.0000 | |
| 521 | L | A | 0.0000 | |
| 522 | K | A | -1.8484 | |
| 523 | I | A | -0.1204 | |
| 524 | A | A | -0.7428 | |
| 525 | K | A | -0.8550 | |
| 526 | P | A | -0.3752 | |
| 527 | L | A | -0.4516 | |
| 528 | S | A | -0.7840 | |
| 529 | S | A | -0.6305 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.6576 | |
| 532 | P | A | -0.2034 | |
| 533 | L | A | 0.0000 | |
| 534 | M | A | 0.0000 | |
| 535 | H | A | -1.4846 | |
| 536 | A | A | -1.4979 | |
| 537 | A | A | 0.0000 | |
| 538 | K | A | -2.7046 | |
| 539 | E | A | -3.4881 | |
| 540 | A | A | -2.8835 | |
| 541 | T | A | -2.8782 | |
| 542 | K | A | -3.8201 | |
| 543 | N | A | -3.5808 | |
| 544 | N | A | -3.2131 | |
| 545 | H | A | -2.7564 |
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 | -0.6621 | 4.3514 | View | CSV | PDB |
| 4.5 | -0.7432 | 4.3514 | View | CSV | PDB |
| 5.0 | -0.8432 | 4.3514 | View | CSV | PDB |
| 5.5 | -0.9402 | 4.3514 | View | CSV | PDB |
| 6.0 | -1.0114 | 4.3514 | View | CSV | PDB |
| 6.5 | -1.0424 | 4.3514 | View | CSV | PDB |
| 7.0 | -1.0341 | 4.3514 | View | CSV | PDB |
| 7.5 | -0.9994 | 4.3514 | View | CSV | PDB |
| 8.0 | -0.9504 | 4.3514 | View | CSV | PDB |
| 8.5 | -0.8916 | 4.3514 | View | CSV | PDB |
| 9.0 | -0.8239 | 4.3514 | 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