| Chain sequence(s) | MNVVFAVKQYISKMIEDSGPGMKVLLMDKETTGIVSMVYTQSEILQKEVYLFERIDSQNREIMKHLKAICFLRPTKENVDSLIQELRRPKYSIYFIYFSNVISKSDVKSLAEADEQEVVAEVQEFYGDYIAVNPHLFSLNILGCCQGRNWDPAQLSRTTQGLTALLLSLKKCPMIRYQLSSEAAKRLGECVKQVISKEYELFEFRRTEVPPLLLILDRCDDAITPLLNQWTYQAMVHELLGINNNRIDLSRVPGISKDLREVVLSAENDEFYANNMYLNFAEIGSNIKNLMEDFQKKRPKEQQKLESIADMKAFVENYPQFKKMSGTVSKHVTVVGELSRLVSERNLLEVSEVEQELACQNDHSSALQNVKRLLQNPKVTEFDAVRLVMLYALHYERHSSNSLPGLIVDLRSKGVAEKYRKLVSAVVEYGGKRVRGSDLFSPKDAVAITKQFLKGLKGVENVYTQHQPFLHETLDHLIKGKLKENLYPYLGPSTLRDRPQDIIVFVIGGATYEEALTVYNLNRTTPGVRIVLGGTTIHNTKSFLEEVLASGLHSRSRESSQATSRSASRR 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/17054c69196e75/tmp/folded.pdb (00:21:47)
[INFO] Main: Simulation completed successfully. (00:28:04)
|
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 | -0.3870 | |
| 2 | N | A | -0.0301 | |
| 3 | V | A | 0.0000 | |
| 4 | V | A | 0.0000 | |
| 5 | F | A | 1.4112 | |
| 6 | A | A | 0.0000 | |
| 7 | V | A | 0.0000 | |
| 8 | K | A | -0.2189 | |
| 9 | Q | A | -0.9514 | |
| 10 | Y | A | -0.8467 | |
| 11 | I | A | 0.0000 | |
| 12 | S | A | -1.6695 | |
| 13 | K | A | -2.3148 | |
| 14 | M | A | 0.0000 | |
| 15 | I | A | 0.0000 | |
| 16 | E | A | -2.8098 | |
| 17 | D | A | -2.1098 | |
| 18 | S | A | 0.0000 | |
| 19 | G | A | -1.1848 | |
| 20 | P | A | -0.9163 | |
| 21 | G | A | -0.3227 | |
| 22 | M | A | 0.3156 | |
| 23 | K | A | 0.0000 | |
| 24 | V | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | M | A | 0.0000 | |
| 28 | D | A | 0.0000 | |
| 29 | K | A | -2.3694 | |
| 30 | E | A | -1.4276 | |
| 31 | T | A | 0.0000 | |
| 32 | T | A | -0.8865 | |
| 33 | G | A | -0.9632 | |
| 34 | I | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | S | A | -0.3312 | |
| 37 | M | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | Y | A | 0.0000 | |
| 40 | T | A | -1.2108 | |
| 41 | Q | A | -1.2948 | |
| 42 | S | A | -1.1180 | |
| 43 | E | A | -1.4884 | |
| 44 | I | A | 0.0000 | |
| 45 | L | A | -0.3649 | |
| 46 | Q | A | -1.5476 | |
| 47 | K | A | -1.4998 | |
| 48 | E | A | -0.7585 | |
| 49 | V | A | 0.0000 | |
| 50 | Y | A | 1.0435 | |
| 51 | L | A | 0.9850 | |
| 52 | F | A | 0.3561 | |
| 53 | E | A | -0.8288 | |
| 54 | R | A | -2.3097 | |
| 55 | I | A | 0.0000 | |
| 56 | D | A | -3.4980 | |
| 57 | S | A | -2.3006 | |
| 58 | Q | A | -2.6857 | |
| 59 | N | A | -2.4248 | |
| 60 | R | A | 0.0000 | |
| 61 | E | A | -1.4849 | |
| 62 | I | A | 0.2512 | |
| 63 | M | A | -0.4704 | |
| 64 | K | A | -1.5146 | |
| 65 | H | A | -1.2997 | |
| 66 | L | A | 0.0000 | |
| 67 | K | A | -0.5384 | |
| 68 | A | A | 0.0000 | |
| 69 | I | A | 0.0000 | |
| 70 | C | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | R | A | 0.0000 | |
| 74 | P | A | -0.6212 | |
| 75 | T | A | -1.7780 | |
| 76 | K | A | -3.1903 | |
| 77 | E | A | -3.5435 | |
| 78 | N | A | -2.6949 | |
| 79 | V | A | 0.0000 | |
| 80 | D | A | -3.3456 | |
| 81 | S | A | -2.5437 | |
| 82 | L | A | 0.0000 | |
| 83 | I | A | -1.7510 | |
| 84 | Q | A | -2.3343 | |
| 85 | E | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.7643 | |
| 88 | R | A | -2.6528 | |
| 89 | P | A | -1.6612 | |
| 90 | K | A | -0.7514 | |
| 91 | Y | A | 0.0000 | |
| 92 | S | A | -0.7449 | |
| 93 | I | A | -0.2287 | |
| 94 | Y | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | Y | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | S | A | 0.0000 | |
| 100 | N | A | 0.0000 | |
| 101 | V | A | 0.2522 | |
| 102 | I | A | -0.0660 | |
| 103 | S | A | -1.0199 | |
| 104 | K | A | -2.1620 | |
| 105 | S | A | -1.6992 | |
| 106 | D | A | -1.9864 | |
| 107 | V | A | -1.3522 | |
| 108 | K | A | -2.6545 | |
| 109 | S | A | -1.9770 | |
| 110 | L | A | 0.0000 | |
| 111 | A | A | -1.9249 | |
| 112 | E | A | -2.9129 | |
| 113 | A | A | 0.0000 | |
| 114 | D | A | -2.9563 | |
| 115 | E | A | -3.7533 | |
| 116 | Q | A | -3.2252 | |
| 117 | E | A | -2.8985 | |
| 118 | V | A | -1.1872 | |
| 119 | V | A | -0.2909 | |
| 120 | A | A | 0.0594 | |
| 121 | E | A | 0.0110 | |
| 122 | V | A | 0.5341 | |
| 123 | Q | A | -0.1461 | |
| 124 | E | A | -0.2878 | |
| 125 | F | A | 0.0000 | |
| 126 | Y | A | 0.0000 | |
| 127 | G | A | 0.0000 | |
| 128 | D | A | 0.0000 | |
| 129 | Y | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | V | A | 0.1293 | |
| 133 | N | A | 0.0000 | |
| 134 | P | A | 0.0091 | |
| 135 | H | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | S | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | N | A | -1.2316 | |
| 141 | I | A | 0.0000 | |
| 142 | L | A | 0.3440 | |
| 143 | G | A | -0.1442 | |
| 144 | C | A | 0.0000 | |
| 145 | C | A | 0.0000 | |
| 146 | Q | A | -1.7552 | |
| 147 | G | A | -1.5162 | |
| 148 | R | A | -1.5436 | |
| 149 | N | A | -2.1987 | |
| 150 | W | A | 0.0000 | |
| 151 | D | A | -1.1413 | |
| 152 | P | A | -0.7443 | |
| 153 | A | A | -0.3336 | |
| 154 | Q | A | -0.4058 | |
| 155 | L | A | -0.5315 | |
| 156 | S | A | -0.4262 | |
| 157 | R | A | -0.5248 | |
| 158 | T | A | 0.0000 | |
| 159 | T | A | 0.0000 | |
| 160 | Q | A | -0.4312 | |
| 161 | G | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | S | A | -0.4069 | |
| 169 | L | A | 0.0000 | |
| 170 | K | A | -1.7319 | |
| 171 | K | A | -1.2993 | |
| 172 | C | A | -0.6248 | |
| 173 | P | A | -0.1373 | |
| 174 | M | A | 0.0338 | |
| 175 | I | A | 0.0000 | |
| 176 | R | A | 0.0000 | |
| 177 | Y | A | 0.0000 | |
| 178 | Q | A | 0.0000 | |
| 179 | L | A | -0.0176 | |
| 180 | S | A | -0.2370 | |
| 181 | S | A | 0.0000 | |
| 182 | E | A | -2.4011 | |
| 183 | A | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | K | A | -2.0171 | |
| 186 | R | A | -2.4776 | |
| 187 | L | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | E | A | -2.6214 | |
| 190 | C | A | -1.5471 | |
| 191 | V | A | 0.0000 | |
| 192 | K | A | -2.1688 | |
| 193 | Q | A | -2.0592 | |
| 194 | V | A | -1.1851 | |
| 195 | I | A | -1.1038 | |
| 196 | S | A | -1.3029 | |
| 197 | K | A | -2.1261 | |
| 198 | E | A | -1.5005 | |
| 199 | Y | A | -0.6386 | |
| 200 | E | A | -1.9346 | |
| 201 | L | A | -0.9053 | |
| 202 | F | A | 0.0000 | |
| 203 | E | A | -2.6939 | |
| 204 | F | A | -2.3325 | |
| 205 | R | A | -3.3679 | |
| 206 | R | A | -3.3851 | |
| 207 | T | A | -2.3043 | |
| 208 | E | A | -2.6719 | |
| 209 | V | A | 0.0000 | |
| 210 | P | A | -1.1321 | |
| 211 | P | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | L | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | D | A | 0.0000 | |
| 218 | R | A | 0.0000 | |
| 219 | C | A | 0.0000 | |
| 220 | D | A | 0.0000 | |
| 221 | D | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | I | A | 0.0000 | |
| 224 | T | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | N | A | 0.0000 | |
| 229 | Q | A | -0.1989 | |
| 230 | W | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | Y | A | 0.0000 | |
| 233 | Q | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | M | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | H | A | 0.0000 | |
| 238 | E | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | G | A | -0.9891 | |
| 242 | I | A | -0.8481 | |
| 243 | N | A | -1.7628 | |
| 244 | N | A | -1.0050 | |
| 245 | N | A | 0.0000 | |
| 246 | R | A | -1.4007 | |
| 247 | I | A | 0.0000 | |
| 248 | D | A | -3.2960 | |
| 249 | L | A | 0.0000 | |
| 250 | S | A | -2.7009 | |
| 251 | R | A | -2.4998 | |
| 252 | V | A | 0.0000 | |
| 253 | P | A | -0.8786 | |
| 254 | G | A | -1.1264 | |
| 255 | I | A | -1.7477 | |
| 256 | S | A | -2.1735 | |
| 257 | K | A | -3.2472 | |
| 258 | D | A | -3.2898 | |
| 259 | L | A | -2.6486 | |
| 260 | R | A | -3.9845 | |
| 261 | E | A | -3.5534 | |
| 262 | V | A | 0.0000 | |
| 263 | V | A | 0.1079 | |
| 264 | L | A | 0.0000 | |
| 265 | S | A | -0.9975 | |
| 266 | A | A | -1.7708 | |
| 267 | E | A | -2.7991 | |
| 268 | N | A | -2.4503 | |
| 269 | D | A | 0.0000 | |
| 270 | E | A | -2.8285 | |
| 271 | F | A | 0.0000 | |
| 272 | Y | A | 0.0000 | |
| 273 | A | A | -1.7918 | |
| 274 | N | A | -1.6962 | |
| 275 | N | A | 0.0000 | |
| 276 | M | A | 0.0000 | |
| 277 | Y | A | -0.0720 | |
| 278 | L | A | -0.0913 | |
| 279 | N | A | -0.4224 | |
| 280 | F | A | -0.1763 | |
| 281 | A | A | -0.4238 | |
| 282 | E | A | -1.0189 | |
| 283 | I | A | 0.0000 | |
| 284 | G | A | -0.6645 | |
| 285 | S | A | -1.2149 | |
| 286 | N | A | -1.4218 | |
| 287 | I | A | 0.0000 | |
| 288 | K | A | -2.0522 | |
| 289 | N | A | -2.2772 | |
| 290 | L | A | -1.3012 | |
| 291 | M | A | 0.0000 | |
| 292 | E | A | -3.6065 | |
| 293 | D | A | -3.3441 | |
| 294 | F | A | -2.3131 | |
| 295 | Q | A | 0.0000 | |
| 296 | K | A | -4.2515 | |
| 297 | K | A | -3.9891 | |
| 298 | R | A | -3.9146 | |
| 299 | P | A | -3.1585 | |
| 300 | K | A | -3.2971 | |
| 301 | E | A | -3.1225 | |
| 302 | Q | A | -3.7341 | |
| 303 | Q | A | -3.1273 | |
| 304 | K | A | -3.2493 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -2.6213 | |
| 307 | S | A | -1.4388 | |
| 308 | I | A | -0.6182 | |
| 309 | A | A | -0.7284 | |
| 310 | D | A | -1.8938 | |
| 311 | M | A | 0.0000 | |
| 312 | K | A | -1.3387 | |
| 313 | A | A | -1.3912 | |
| 314 | F | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | E | A | -2.8352 | |
| 317 | N | A | -2.3185 | |
| 318 | Y | A | -1.6762 | |
| 319 | P | A | -1.9281 | |
| 320 | Q | A | -2.1526 | |
| 321 | F | A | 0.0000 | |
| 322 | K | A | -2.0516 | |
| 323 | K | A | -2.1453 | |
| 324 | M | A | -0.7450 | |
| 325 | S | A | -0.7077 | |
| 326 | G | A | -0.9039 | |
| 327 | T | A | -0.4966 | |
| 328 | V | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | K | A | -0.4641 | |
| 331 | H | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | E | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | S | A | -0.4608 | |
| 340 | R | A | -1.0213 | |
| 341 | L | A | -0.8813 | |
| 342 | V | A | 0.0000 | |
| 343 | S | A | -1.3669 | |
| 344 | E | A | -2.4323 | |
| 345 | R | A | -1.7520 | |
| 346 | N | A | -1.4922 | |
| 347 | L | A | 0.0000 | |
| 348 | L | A | -0.1306 | |
| 349 | E | A | -1.4209 | |
| 350 | V | A | 0.0000 | |
| 351 | S | A | 0.0000 | |
| 352 | E | A | -0.9905 | |
| 353 | V | A | 0.0000 | |
| 354 | E | A | 0.0000 | |
| 355 | Q | A | 0.0000 | |
| 356 | E | A | -1.1280 | |
| 357 | L | A | 0.0000 | |
| 358 | A | A | 0.0000 | |
| 359 | C | A | -1.1657 | |
| 360 | Q | A | -2.2210 | |
| 361 | N | A | -2.3984 | |
| 362 | D | A | -2.1784 | |
| 363 | H | A | -1.6137 | |
| 364 | S | A | -1.1020 | |
| 365 | S | A | -1.2483 | |
| 366 | A | A | 0.0000 | |
| 367 | L | A | -1.1563 | |
| 368 | Q | A | -1.9010 | |
| 369 | N | A | -1.8644 | |
| 370 | V | A | 0.0000 | |
| 371 | K | A | -2.2650 | |
| 372 | R | A | -2.9018 | |
| 373 | L | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | Q | A | -2.4417 | |
| 376 | N | A | -1.9027 | |
| 377 | P | A | -1.4159 | |
| 378 | K | A | -2.1254 | |
| 379 | V | A | 0.0000 | |
| 380 | T | A | -1.1191 | |
| 381 | E | A | -1.1235 | |
| 382 | F | A | -0.4159 | |
| 383 | D | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | R | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | M | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | Y | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | H | A | -0.8931 | |
| 395 | Y | A | 0.0000 | |
| 396 | E | A | -1.4893 | |
| 397 | R | A | -2.5069 | |
| 398 | H | A | -1.6903 | |
| 399 | S | A | -1.1187 | |
| 400 | S | A | -0.9330 | |
| 401 | N | A | -1.2038 | |
| 402 | S | A | -0.3451 | |
| 403 | L | A | 0.2089 | |
| 404 | P | A | 0.2405 | |
| 405 | G | A | 0.0984 | |
| 406 | L | A | 0.0000 | |
| 407 | I | A | 0.4352 | |
| 408 | V | A | 0.8674 | |
| 409 | D | A | -0.6043 | |
| 410 | L | A | 0.0000 | |
| 411 | R | A | -1.9910 | |
| 412 | S | A | -1.2154 | |
| 413 | K | A | -1.6351 | |
| 414 | G | A | -1.6605 | |
| 415 | V | A | 0.0000 | |
| 416 | A | A | -2.2254 | |
| 417 | E | A | -3.3489 | |
| 418 | K | A | -2.9149 | |
| 419 | Y | A | -1.8150 | |
| 420 | R | A | -2.0631 | |
| 421 | K | A | -2.2263 | |
| 422 | L | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | S | A | -0.8858 | |
| 425 | A | A | 0.0000 | |
| 426 | V | A | 0.0000 | |
| 427 | V | A | -0.7889 | |
| 428 | E | A | -1.5495 | |
| 429 | Y | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | G | A | 0.0000 | |
| 432 | K | A | -2.7191 | |
| 433 | R | A | -2.4440 | |
| 434 | V | A | -1.1575 | |
| 435 | R | A | 0.0000 | |
| 436 | G | A | -0.8277 | |
| 437 | S | A | -0.9195 | |
| 438 | D | A | -1.6938 | |
| 439 | L | A | -0.5910 | |
| 440 | F | A | -0.8194 | |
| 441 | S | A | -1.5002 | |
| 442 | P | A | -1.9599 | |
| 443 | K | A | -2.0300 | |
| 444 | D | A | -1.9298 | |
| 445 | A | A | -0.3137 | |
| 446 | V | A | 0.8527 | |
| 447 | A | A | 0.0208 | |
| 448 | I | A | 0.7163 | |
| 449 | T | A | 0.7260 | |
| 450 | K | A | -0.4827 | |
| 451 | Q | A | 0.0086 | |
| 452 | F | A | 1.5584 | |
| 453 | L | A | 1.0305 | |
| 454 | K | A | -1.0205 | |
| 455 | G | A | -0.4812 | |
| 456 | L | A | 0.5641 | |
| 457 | K | A | -1.1319 | |
| 458 | G | A | -0.5381 | |
| 459 | V | A | 0.3826 | |
| 460 | E | A | -1.2182 | |
| 461 | N | A | -0.7240 | |
| 462 | V | A | 0.1825 | |
| 463 | Y | A | -0.3688 | |
| 464 | T | A | -0.8907 | |
| 465 | Q | A | -1.4438 | |
| 466 | H | A | -0.7964 | |
| 467 | Q | A | -1.0978 | |
| 468 | P | A | 0.0000 | |
| 469 | F | A | -0.5561 | |
| 470 | L | A | 0.0000 | |
| 471 | H | A | -1.3036 | |
| 472 | E | A | -2.0256 | |
| 473 | T | A | 0.0000 | |
| 474 | L | A | 0.0000 | |
| 475 | D | A | -1.9136 | |
| 476 | H | A | -2.5108 | |
| 477 | L | A | 0.0000 | |
| 478 | I | A | 0.0000 | |
| 479 | K | A | -2.6496 | |
| 480 | G | A | -3.0592 | |
| 481 | K | A | -3.2404 | |
| 482 | L | A | 0.0000 | |
| 483 | K | A | -3.4691 | |
| 484 | E | A | -3.2362 | |
| 485 | N | A | -2.3269 | |
| 486 | L | A | -1.1227 | |
| 487 | Y | A | 0.0000 | |
| 488 | P | A | -1.2027 | |
| 489 | Y | A | -0.3927 | |
| 490 | L | A | -0.5679 | |
| 491 | G | A | -0.6663 | |
| 492 | P | A | -0.4716 | |
| 493 | S | A | -0.5484 | |
| 494 | T | A | -0.9168 | |
| 495 | L | A | -1.3409 | |
| 496 | R | A | -2.6695 | |
| 497 | D | A | -3.0564 | |
| 498 | R | A | -2.6872 | |
| 499 | P | A | 0.0000 | |
| 500 | Q | A | -1.6811 | |
| 501 | D | A | 0.0000 | |
| 502 | I | A | 0.0000 | |
| 503 | I | A | 0.0000 | |
| 504 | V | A | 0.0000 | |
| 505 | F | A | 0.0000 | |
| 506 | V | A | 0.0000 | |
| 507 | I | A | 0.0000 | |
| 508 | G | A | 0.0000 | |
| 509 | G | A | 0.0000 | |
| 510 | A | A | 0.0000 | |
| 511 | T | A | 0.0000 | |
| 512 | Y | A | 0.0000 | |
| 513 | E | A | -0.2640 | |
| 514 | E | A | 0.0000 | |
| 515 | A | A | 0.0000 | |
| 516 | L | A | -0.0010 | |
| 517 | T | A | 0.0000 | |
| 518 | V | A | 0.0000 | |
| 519 | Y | A | -0.9204 | |
| 520 | N | A | -1.5481 | |
| 521 | L | A | 0.0000 | |
| 522 | N | A | -2.0926 | |
| 523 | R | A | -2.6409 | |
| 524 | T | A | -1.2647 | |
| 525 | T | A | -1.4334 | |
| 526 | P | A | -1.2669 | |
| 527 | G | A | -1.4772 | |
| 528 | V | A | 0.0000 | |
| 529 | R | A | -2.2526 | |
| 530 | I | A | 0.0000 | |
| 531 | V | A | 0.0000 | |
| 532 | L | A | 0.0000 | |
| 533 | G | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | T | A | 0.0000 | |
| 536 | T | A | -0.1707 | |
| 537 | I | A | -0.0530 | |
| 538 | H | A | 0.0000 | |
| 539 | N | A | -0.5727 | |
| 540 | T | A | 0.0000 | |
| 541 | K | A | -1.8168 | |
| 542 | S | A | -1.1431 | |
| 543 | F | A | 0.0000 | |
| 544 | L | A | 0.0000 | |
| 545 | E | A | -1.7546 | |
| 546 | E | A | 0.0000 | |
| 547 | V | A | 0.0000 | |
| 548 | L | A | -0.3356 | |
| 549 | A | A | -0.3307 | |
| 550 | S | A | 0.0000 | |
| 551 | G | A | -0.7253 | |
| 552 | L | A | 0.0000 | |
| 553 | H | A | -1.4969 | |
| 554 | S | A | -1.9359 | |
| 555 | R | A | -3.2953 | |
| 556 | S | A | -3.0037 | |
| 557 | R | A | -3.8926 | |
| 558 | E | A | -3.9255 | |
| 559 | S | A | -2.6362 | |
| 560 | S | A | -2.6310 | |
| 561 | Q | A | -3.0016 | |
| 562 | A | A | -2.1269 | |
| 563 | T | A | -1.5166 | |
| 564 | S | A | -1.8526 | |
| 565 | R | A | -2.7287 | |
| 566 | S | A | -2.0822 | |
| 567 | A | A | -1.7255 | |
| 568 | S | A | -2.2109 | |
| 569 | R | A | -3.2204 | |
| 570 | R | A | -2.7915 |
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 | -0.9849 | 3.84 | View | CSV | PDB |
| 4.5 | -1.0447 | 3.8405 | View | CSV | PDB |
| 5.0 | -1.1198 | 3.8423 | View | CSV | PDB |
| 5.5 | -1.1952 | 3.847 | View | CSV | PDB |
| 6.0 | -1.254 | 3.8579 | View | CSV | PDB |
| 6.5 | -1.2822 | 3.8767 | View | CSV | PDB |
| 7.0 | -1.2771 | 3.9012 | View | CSV | PDB |
| 7.5 | -1.2471 | 4.1455 | View | CSV | PDB |
| 8.0 | -1.2028 | 4.4144 | View | CSV | PDB |
| 8.5 | -1.1498 | 4.6877 | View | CSV | PDB |
| 9.0 | -1.0901 | 4.9592 | 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