| Chain sequence(s) | MGARCRSFSALLLLLQVSSWLCQQPESESDSCRPGFSSEVYTFLVPERHLERGHILGRVKFEGCTGRPRTAFFSEDSRFKVSTDGVITVKRHLKLHKLETSFLVHAWDSSYRKLSTKVTLKSLGHHHHRHHHRDPVSESNPELLTFPSFHQGLRRQKRDWVIPPINCPENQKGEFPQRLVQIKSNRDKETTVFYSITGPGADKPPVGVFIIERETGWLKVTQPLDREAIDKYLLYSHAVSSNGEAVEDPMEIVVTVTDQNDNRPEFIQEVFEGSVAEGALPGTSVMQVSATDADDDINTYNAAIAYTILSQDPELPHKNMFTVNRDTGVISVVTSGLDRESYPTYTLVVQAADLQGEGLSTTAKAVITVKDINDNAPIFNPSTYQGQVLENEVGARIATLKVTDDDAPNTPAWNAVYTVVNDPDHQFTVITDPKTNEGILKTAKGLDFEAKQQYILHVTVENEEPFEGSLVPSTATVTVDVVDVNEAPIFVPAEKRVEVPEDFGVGLEIASYTAREPDTFMEQKITYRIWRDTANWLEINPETGVISTRAEMDREDSEHVKNSTYTALIIATDDGSPIATGTGTLLLVLSDVNDNAPIPEPRNMQFCQRNPKPHVITILDPDLPPNTSPFTAELTHGASVNWTIEYNDAEQESLILQPRKDLEIGEYKINLKLSDNQNKDQVTTLEVHVCDCEGTVNNCMKAISLEAGLQVPAILGILGGILALLILILLLLLFLRRRTVVKEPLLPPDDDTRDNVYYYDEEGGGEEDQDFDLSQLHRGLDARPEVIRNDVAPTLMSMPQYRPRPANPDEIGNFIDENLKAADSDPTAPPYDSLLVFDYEGSGSEAASLSSLNSSESDQDQDYDYLNEWGNRFKKLADMYGGGEED 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 (00:00:01)
[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 (00:09:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/aa29b455da0e4d/tmp/folded.pdb (00:09:47)
[INFO] Main: Simulation completed successfully. (00:22:51)
|
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 | 0.8409 | |
| 2 | G | A | -0.2999 | |
| 3 | A | A | -0.6368 | |
| 4 | R | A | -1.9538 | |
| 5 | C | A | -1.1303 | |
| 6 | R | A | -1.5773 | |
| 7 | S | A | -0.0961 | |
| 8 | F | A | 1.3150 | |
| 9 | S | A | 0.9143 | |
| 10 | A | A | 1.4736 | |
| 11 | L | A | 2.6179 | |
| 12 | L | A | 3.3926 | |
| 13 | L | A | 3.7751 | |
| 14 | L | A | 3.2570 | |
| 15 | L | A | 2.4012 | |
| 16 | Q | A | 0.7298 | |
| 17 | V | A | 1.3313 | |
| 18 | S | A | 0.5297 | |
| 19 | S | A | 0.9270 | |
| 20 | W | A | 1.9287 | |
| 21 | L | A | 2.2094 | |
| 22 | C | A | 0.9105 | |
| 23 | Q | A | -1.1565 | |
| 24 | Q | A | -2.1730 | |
| 25 | P | A | -2.0075 | |
| 26 | E | A | -2.6842 | |
| 27 | S | A | -2.1688 | |
| 28 | E | A | -2.8452 | |
| 29 | S | A | -2.2864 | |
| 30 | D | A | -2.5060 | |
| 31 | S | A | -1.6790 | |
| 32 | C | A | -0.9116 | |
| 33 | R | A | -2.0981 | |
| 34 | P | A | 0.0000 | |
| 35 | G | A | -1.5705 | |
| 36 | F | A | -1.1056 | |
| 37 | S | A | -1.0446 | |
| 38 | S | A | -0.9186 | |
| 39 | E | A | -1.4841 | |
| 40 | V | A | -0.0500 | |
| 41 | Y | A | -0.1506 | |
| 42 | T | A | 0.3258 | |
| 43 | F | A | 0.6258 | |
| 44 | L | A | 1.2108 | |
| 45 | V | A | 0.0000 | |
| 46 | P | A | -1.0953 | |
| 47 | E | A | -3.0675 | |
| 48 | R | A | -3.4826 | |
| 49 | H | A | -3.6775 | |
| 50 | L | A | 0.0000 | |
| 51 | E | A | -4.3642 | |
| 52 | R | A | -4.3457 | |
| 53 | G | A | -2.3475 | |
| 54 | H | A | -1.1405 | |
| 55 | I | A | 0.9018 | |
| 56 | L | A | 0.8514 | |
| 57 | G | A | 0.1240 | |
| 58 | R | A | -1.6096 | |
| 59 | V | A | 0.0000 | |
| 60 | K | A | -2.1341 | |
| 61 | F | A | -1.5861 | |
| 62 | E | A | -2.7242 | |
| 63 | G | A | -1.9776 | |
| 64 | C | A | -0.8567 | |
| 65 | T | A | -0.9785 | |
| 66 | G | A | -1.8429 | |
| 67 | R | A | -2.9446 | |
| 68 | P | A | -2.5687 | |
| 69 | R | A | -3.1533 | |
| 70 | T | A | -1.7344 | |
| 71 | A | A | 0.0107 | |
| 72 | F | A | 0.0000 | |
| 73 | F | A | 1.2842 | |
| 74 | S | A | -0.4805 | |
| 75 | E | A | -1.6655 | |
| 76 | D | A | -1.3302 | |
| 77 | S | A | -1.5832 | |
| 78 | R | A | -2.6007 | |
| 79 | F | A | 0.0000 | |
| 80 | K | A | -1.8572 | |
| 81 | V | A | 0.0000 | |
| 82 | S | A | -0.9531 | |
| 83 | T | A | -1.1719 | |
| 84 | D | A | -2.2463 | |
| 85 | G | A | 0.0000 | |
| 86 | V | A | -0.8105 | |
| 87 | I | A | 0.0000 | |
| 88 | T | A | -1.2011 | |
| 89 | V | A | 0.0000 | |
| 90 | K | A | -3.5458 | |
| 91 | R | A | -4.5050 | |
| 92 | H | A | -4.2904 | |
| 93 | L | A | 0.0000 | |
| 94 | K | A | -3.4526 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -2.3210 | |
| 97 | K | A | -2.2351 | |
| 98 | L | A | -0.2989 | |
| 99 | E | A | -1.1564 | |
| 100 | T | A | -1.0433 | |
| 101 | S | A | -0.5833 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -0.1979 | |
| 104 | V | A | 0.0000 | |
| 105 | H | A | 0.0000 | |
| 106 | A | A | 0.0000 | |
| 107 | W | A | -0.1471 | |
| 108 | D | A | 0.0000 | |
| 109 | S | A | -0.1400 | |
| 110 | S | A | -0.3836 | |
| 111 | Y | A | 0.0298 | |
| 112 | R | A | -1.9291 | |
| 113 | K | A | -2.0113 | |
| 114 | L | A | -0.7592 | |
| 115 | S | A | -0.6485 | |
| 116 | T | A | 0.0000 | |
| 117 | K | A | -0.8192 | |
| 118 | V | A | 0.0000 | |
| 119 | T | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | K | A | -0.5180 | |
| 122 | S | A | -0.7242 | |
| 123 | L | A | 0.1625 | |
| 124 | G | A | -1.0138 | |
| 125 | H | A | -2.2137 | |
| 126 | H | A | -2.2441 | |
| 127 | H | A | -2.5767 | |
| 128 | H | A | -2.9376 | |
| 129 | R | A | -3.2379 | |
| 130 | H | A | -3.0984 | |
| 131 | H | A | -3.0702 | |
| 132 | H | A | -3.1215 | |
| 133 | R | A | -3.4662 | |
| 134 | D | A | -2.8267 | |
| 135 | P | A | -0.9420 | |
| 136 | V | A | 0.5981 | |
| 137 | S | A | -0.3685 | |
| 138 | E | A | -1.9852 | |
| 139 | S | A | -2.1227 | |
| 140 | N | A | -2.1850 | |
| 141 | P | A | -1.3525 | |
| 142 | E | A | -1.1344 | |
| 143 | L | A | 1.3855 | |
| 144 | L | A | 2.2265 | |
| 145 | T | A | 1.7310 | |
| 146 | F | A | 2.6124 | |
| 147 | P | A | 1.0864 | |
| 148 | S | A | 0.7816 | |
| 149 | F | A | 1.3372 | |
| 150 | H | A | -0.6218 | |
| 151 | Q | A | -1.2966 | |
| 152 | G | A | -0.9412 | |
| 153 | L | A | -0.3225 | |
| 154 | R | A | -2.7245 | |
| 155 | R | A | -3.6357 | |
| 156 | Q | A | -3.8325 | |
| 157 | K | A | -4.1414 | |
| 158 | R | A | -3.4921 | |
| 159 | D | A | -2.1902 | |
| 160 | W | A | 0.4430 | |
| 161 | V | A | 1.3751 | |
| 162 | I | A | 0.0000 | |
| 163 | P | A | 0.0545 | |
| 164 | P | A | -0.3407 | |
| 165 | I | A | -0.5219 | |
| 166 | N | A | -1.3641 | |
| 167 | C | A | 0.0000 | |
| 168 | P | A | -1.1774 | |
| 169 | E | A | 0.0000 | |
| 170 | N | A | -2.0344 | |
| 171 | Q | A | -2.1840 | |
| 172 | K | A | -2.6879 | |
| 173 | G | A | -2.4021 | |
| 174 | E | A | -2.4359 | |
| 175 | F | A | -1.5568 | |
| 176 | P | A | -1.1237 | |
| 177 | Q | A | -1.6192 | |
| 178 | R | A | -1.7574 | |
| 179 | L | A | -0.6583 | |
| 180 | V | A | -0.2827 | |
| 181 | Q | A | -0.9525 | |
| 182 | I | A | -0.8945 | |
| 183 | K | A | -2.5354 | |
| 184 | S | A | 0.0000 | |
| 185 | N | A | -3.5169 | |
| 186 | R | A | -4.2977 | |
| 187 | D | A | -3.4440 | |
| 188 | K | A | -3.7823 | |
| 189 | E | A | -3.6332 | |
| 190 | T | A | -2.2591 | |
| 191 | T | A | -1.5335 | |
| 192 | V | A | 0.0000 | |
| 193 | F | A | -1.1475 | |
| 194 | Y | A | 0.0000 | |
| 195 | S | A | -0.7631 | |
| 196 | I | A | 0.0000 | |
| 197 | T | A | -0.5471 | |
| 198 | G | A | 0.0000 | |
| 199 | P | A | -0.7741 | |
| 200 | G | A | 0.0000 | |
| 201 | A | A | -0.5255 | |
| 202 | D | A | -1.9685 | |
| 203 | K | A | -1.9272 | |
| 204 | P | A | -0.7340 | |
| 205 | P | A | -0.0802 | |
| 206 | V | A | 0.5317 | |
| 207 | G | A | -0.0198 | |
| 208 | V | A | 0.0000 | |
| 209 | F | A | 0.0000 | |
| 210 | I | A | 0.0969 | |
| 211 | I | A | -0.6295 | |
| 212 | E | A | -1.8483 | |
| 213 | R | A | -2.6331 | |
| 214 | E | A | -2.9011 | |
| 215 | T | A | -1.8066 | |
| 216 | G | A | 0.0000 | |
| 217 | W | A | -1.1468 | |
| 218 | L | A | 0.0000 | |
| 219 | K | A | -0.7929 | |
| 220 | V | A | 0.0000 | |
| 221 | T | A | -0.9054 | |
| 222 | Q | A | -1.7696 | |
| 223 | P | A | -1.7385 | |
| 224 | L | A | 0.0000 | |
| 225 | D | A | -2.4958 | |
| 226 | R | A | -2.6352 | |
| 227 | E | A | -2.7909 | |
| 228 | A | A | -1.5312 | |
| 229 | I | A | -1.5445 | |
| 230 | D | A | -2.9541 | |
| 231 | K | A | -2.1119 | |
| 232 | Y | A | 0.0000 | |
| 233 | L | A | 0.1056 | |
| 234 | L | A | 0.0000 | |
| 235 | Y | A | 0.1156 | |
| 236 | S | A | 0.0000 | |
| 237 | H | A | -0.6346 | |
| 238 | A | A | 0.0000 | |
| 239 | V | A | -0.9981 | |
| 240 | S | A | 0.0000 | |
| 241 | S | A | -1.1154 | |
| 242 | N | A | -2.0528 | |
| 243 | G | A | -1.7785 | |
| 244 | E | A | -2.3553 | |
| 245 | A | A | -1.5331 | |
| 246 | V | A | -1.7316 | |
| 247 | E | A | -2.5235 | |
| 248 | D | A | -2.3423 | |
| 249 | P | A | -1.3018 | |
| 250 | M | A | -0.5006 | |
| 251 | E | A | -0.5282 | |
| 252 | I | A | 0.0000 | |
| 253 | V | A | -0.2355 | |
| 254 | V | A | 0.0000 | |
| 255 | T | A | -1.3416 | |
| 256 | V | A | 0.0000 | |
| 257 | T | A | -1.4652 | |
| 258 | D | A | 0.0000 | |
| 259 | Q | A | -1.8312 | |
| 260 | N | A | -1.7167 | |
| 261 | D | A | -2.9155 | |
| 262 | N | A | -2.6722 | |
| 263 | R | A | -2.8256 | |
| 264 | P | A | 0.0000 | |
| 265 | E | A | -2.2904 | |
| 266 | F | A | 0.0000 | |
| 267 | I | A | 0.7103 | |
| 268 | Q | A | -1.3729 | |
| 269 | E | A | -2.0716 | |
| 270 | V | A | -0.9973 | |
| 271 | F | A | 0.0000 | |
| 272 | E | A | -1.9604 | |
| 273 | G | A | -1.0259 | |
| 274 | S | A | -0.7954 | |
| 275 | V | A | 0.0000 | |
| 276 | A | A | -0.7981 | |
| 277 | E | A | 0.0000 | |
| 278 | G | A | -1.0703 | |
| 279 | A | A | 0.2208 | |
| 280 | L | A | 1.2760 | |
| 281 | P | A | 0.5513 | |
| 282 | G | A | 0.0600 | |
| 283 | T | A | 0.2585 | |
| 284 | S | A | -0.0543 | |
| 285 | V | A | -0.2930 | |
| 286 | M | A | -0.6033 | |
| 287 | Q | A | -1.2707 | |
| 288 | V | A | 0.0000 | |
| 289 | S | A | -0.3373 | |
| 290 | A | A | -0.4501 | |
| 291 | T | A | -0.6193 | |
| 292 | D | A | -1.7619 | |
| 293 | A | A | -1.7671 | |
| 294 | D | A | 0.0000 | |
| 295 | D | A | -1.2240 | |
| 296 | D | A | -0.8534 | |
| 297 | I | A | 0.6890 | |
| 298 | N | A | -0.5973 | |
| 299 | T | A | -0.1136 | |
| 300 | Y | A | 0.6464 | |
| 301 | N | A | -0.8585 | |
| 302 | A | A | 0.0000 | |
| 303 | A | A | -0.2158 | |
| 304 | I | A | -1.3799 | |
| 305 | A | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | T | A | -0.3658 | |
| 308 | I | A | 0.4860 | |
| 309 | L | A | 1.3851 | |
| 310 | S | A | -0.5662 | |
| 311 | Q | A | -1.7346 | |
| 312 | D | A | -2.4609 | |
| 313 | P | A | -2.0579 | |
| 314 | E | A | -2.8487 | |
| 315 | L | A | -1.2011 | |
| 316 | P | A | -1.0819 | |
| 317 | H | A | -2.2433 | |
| 318 | K | A | -3.4318 | |
| 319 | N | A | -2.5452 | |
| 320 | M | A | 0.0000 | |
| 321 | F | A | 0.0000 | |
| 322 | T | A | -0.3378 | |
| 323 | V | A | -0.9107 | |
| 324 | N | A | -2.2648 | |
| 325 | R | A | -3.1622 | |
| 326 | D | A | -3.0284 | |
| 327 | T | A | -1.7104 | |
| 328 | G | A | 0.0000 | |
| 329 | V | A | -0.9245 | |
| 330 | I | A | 0.0000 | |
| 331 | S | A | 0.0187 | |
| 332 | V | A | 0.0000 | |
| 333 | V | A | 0.5174 | |
| 334 | T | A | -0.1840 | |
| 335 | S | A | -0.1903 | |
| 336 | G | A | -0.5494 | |
| 337 | L | A | 0.0000 | |
| 338 | D | A | -1.7731 | |
| 339 | R | A | -1.9003 | |
| 340 | E | A | -1.8395 | |
| 341 | S | A | -0.7995 | |
| 342 | Y | A | -0.4752 | |
| 343 | P | A | -0.9383 | |
| 344 | T | A | -0.6488 | |
| 345 | Y | A | 0.0000 | |
| 346 | T | A | -0.9465 | |
| 347 | L | A | 0.0000 | |
| 348 | V | A | 0.5072 | |
| 349 | V | A | 0.0000 | |
| 350 | Q | A | -0.0324 | |
| 351 | A | A | 0.0000 | |
| 352 | A | A | 0.0000 | |
| 353 | D | A | 0.0000 | |
| 354 | L | A | -0.3347 | |
| 355 | Q | A | -1.5999 | |
| 356 | G | A | -1.6907 | |
| 357 | E | A | -2.0184 | |
| 358 | G | A | -1.2587 | |
| 359 | L | A | -1.0298 | |
| 360 | S | A | -0.9311 | |
| 361 | T | A | -0.8807 | |
| 362 | T | A | -0.4977 | |
| 363 | A | A | 0.0000 | |
| 364 | K | A | -1.1739 | |
| 365 | A | A | 0.0000 | |
| 366 | V | A | -0.6406 | |
| 367 | I | A | 0.0000 | |
| 368 | T | A | -0.8533 | |
| 369 | V | A | 0.0000 | |
| 370 | K | A | -2.1283 | |
| 371 | D | A | -1.6804 | |
| 372 | I | A | -1.4461 | |
| 373 | N | A | 0.0000 | |
| 374 | D | A | -2.5514 | |
| 375 | N | A | -1.3479 | |
| 376 | A | A | -0.4128 | |
| 377 | P | A | 0.0000 | |
| 378 | I | A | 0.4158 | |
| 379 | F | A | 0.0000 | |
| 380 | N | A | -1.3473 | |
| 381 | P | A | -1.0064 | |
| 382 | S | A | -0.6157 | |
| 383 | T | A | -0.6891 | |
| 384 | Y | A | -0.6987 | |
| 385 | Q | A | -1.3358 | |
| 386 | G | A | -1.5058 | |
| 387 | Q | A | -1.5192 | |
| 388 | V | A | 0.0000 | |
| 389 | L | A | 0.2792 | |
| 390 | E | A | 0.0000 | |
| 391 | N | A | -2.0264 | |
| 392 | E | A | -1.6510 | |
| 393 | V | A | -0.1046 | |
| 394 | G | A | -0.6049 | |
| 395 | A | A | -1.2421 | |
| 396 | R | A | -2.0956 | |
| 397 | I | A | 0.0000 | |
| 398 | A | A | -1.0328 | |
| 399 | T | A | -0.5879 | |
| 400 | L | A | 0.0000 | |
| 401 | K | A | -1.2547 | |
| 402 | V | A | -0.4114 | |
| 403 | T | A | -0.5638 | |
| 404 | D | A | -0.9941 | |
| 405 | D | A | -2.2228 | |
| 406 | D | A | 0.0000 | |
| 407 | A | A | -1.3315 | |
| 408 | P | A | -1.2635 | |
| 409 | N | A | -1.8015 | |
| 410 | T | A | -1.3143 | |
| 411 | P | A | -1.6039 | |
| 412 | A | A | 0.0000 | |
| 413 | W | A | -1.5447 | |
| 414 | N | A | -1.8511 | |
| 415 | A | A | 0.0000 | |
| 416 | V | A | 0.0345 | |
| 417 | Y | A | 0.0000 | |
| 418 | T | A | 0.6249 | |
| 419 | V | A | 0.5894 | |
| 420 | V | A | 1.2951 | |
| 421 | N | A | -0.2547 | |
| 422 | D | A | -0.9175 | |
| 423 | P | A | -1.4190 | |
| 424 | D | A | -2.7872 | |
| 425 | H | A | -2.3981 | |
| 426 | Q | A | -1.7265 | |
| 427 | F | A | 0.0000 | |
| 428 | T | A | -0.3454 | |
| 429 | V | A | 0.6707 | |
| 430 | I | A | 1.3099 | |
| 431 | T | A | 0.2841 | |
| 432 | D | A | -0.7494 | |
| 433 | P | A | -1.4041 | |
| 434 | K | A | -2.2367 | |
| 435 | T | A | -1.4792 | |
| 436 | N | A | 0.0000 | |
| 437 | E | A | -0.8290 | |
| 438 | G | A | 0.0000 | |
| 439 | I | A | -0.0554 | |
| 440 | L | A | 0.0000 | |
| 441 | K | A | -1.0065 | |
| 442 | T | A | 0.0000 | |
| 443 | A | A | -1.0900 | |
| 444 | K | A | -2.3071 | |
| 445 | G | A | -1.6282 | |
| 446 | L | A | 0.0000 | |
| 447 | D | A | -2.4352 | |
| 448 | F | A | 0.0000 | |
| 449 | E | A | -1.1581 | |
| 450 | A | A | -1.4143 | |
| 451 | K | A | -2.2970 | |
| 452 | Q | A | -2.1797 | |
| 453 | Q | A | -1.3233 | |
| 454 | Y | A | -0.2924 | |
| 455 | I | A | 0.6312 | |
| 456 | L | A | 0.0000 | |
| 457 | H | A | 0.0885 | |
| 458 | V | A | 0.0000 | |
| 459 | T | A | 0.4828 | |
| 460 | V | A | 0.0000 | |
| 461 | E | A | -1.0330 | |
| 462 | N | A | 0.0000 | |
| 463 | E | A | -2.6487 | |
| 464 | E | A | -2.6225 | |
| 465 | P | A | -1.8983 | |
| 466 | F | A | -1.5130 | |
| 467 | E | A | -2.4248 | |
| 468 | G | A | -1.3590 | |
| 469 | S | A | -0.2493 | |
| 470 | L | A | 0.4137 | |
| 471 | V | A | 1.7173 | |
| 472 | P | A | 0.7614 | |
| 473 | S | A | 0.6187 | |
| 474 | T | A | 0.2622 | |
| 475 | A | A | 0.0000 | |
| 476 | T | A | -0.1838 | |
| 477 | V | A | 0.0000 | |
| 478 | T | A | -0.4356 | |
| 479 | V | A | 0.0000 | |
| 480 | D | A | -1.2802 | |
| 481 | V | A | 0.0000 | |
| 482 | V | A | -0.5083 | |
| 483 | D | A | -1.0133 | |
| 484 | V | A | -0.3731 | |
| 485 | N | A | 0.0000 | |
| 486 | E | A | -0.6341 | |
| 487 | A | A | -0.0061 | |
| 488 | P | A | 0.0000 | |
| 489 | I | A | 0.8700 | |
| 490 | F | A | 0.0000 | |
| 491 | V | A | 1.2986 | |
| 492 | P | A | -0.0213 | |
| 493 | A | A | -0.3817 | |
| 494 | E | A | -2.0818 | |
| 495 | K | A | -1.7766 | |
| 496 | R | A | -2.6236 | |
| 497 | V | A | -1.6224 | |
| 498 | E | A | -2.0090 | |
| 499 | V | A | 0.0000 | |
| 500 | P | A | -1.2112 | |
| 501 | E | A | -2.2398 | |
| 502 | D | A | -2.4278 | |
| 503 | F | A | -0.7806 | |
| 504 | G | A | -0.4265 | |
| 505 | V | A | 0.1159 | |
| 506 | G | A | -0.5148 | |
| 507 | L | A | 0.2655 | |
| 508 | E | A | -1.3085 | |
| 509 | I | A | -0.6557 | |
| 510 | A | A | -0.6166 | |
| 511 | S | A | -0.4236 | |
| 512 | Y | A | 0.0000 | |
| 513 | T | A | -0.0695 | |
| 514 | A | A | 0.0711 | |
| 515 | R | A | -1.0627 | |
| 516 | E | A | -1.9830 | |
| 517 | P | A | -0.6254 | |
| 518 | D | A | 0.0000 | |
| 519 | T | A | -0.0412 | |
| 520 | F | A | 1.2766 | |
| 521 | M | A | -0.3358 | |
| 522 | E | A | -1.9552 | |
| 523 | Q | A | -2.1072 | |
| 524 | K | A | -2.7375 | |
| 525 | I | A | -1.7470 | |
| 526 | T | A | -1.6606 | |
| 527 | Y | A | 0.0000 | |
| 528 | R | A | -1.9425 | |
| 529 | I | A | -0.9039 | |
| 530 | W | A | -0.1087 | |
| 531 | R | A | -1.6508 | |
| 532 | D | A | -1.4655 | |
| 533 | T | A | -1.2289 | |
| 534 | A | A | -1.6043 | |
| 535 | N | A | -2.3839 | |
| 536 | W | A | 0.0000 | |
| 537 | L | A | 0.0000 | |
| 538 | E | A | -2.8764 | |
| 539 | I | A | -1.9859 | |
| 540 | N | A | -1.8649 | |
| 541 | P | A | -1.9520 | |
| 542 | E | A | -2.4721 | |
| 543 | T | A | -1.1000 | |
| 544 | G | A | 0.0000 | |
| 545 | V | A | -0.9343 | |
| 546 | I | A | 0.0000 | |
| 547 | S | A | -1.2741 | |
| 548 | T | A | 0.0000 | |
| 549 | R | A | -2.5477 | |
| 550 | A | A | -1.9191 | |
| 551 | E | A | -2.5864 | |
| 552 | M | A | 0.0000 | |
| 553 | D | A | -2.5666 | |
| 554 | R | A | 0.0000 | |
| 555 | E | A | -2.2826 | |
| 556 | D | A | -2.1553 | |
| 557 | S | A | -2.3405 | |
| 558 | E | A | -2.6017 | |
| 559 | H | A | -2.0782 | |
| 560 | V | A | 0.0000 | |
| 561 | K | A | -2.8967 | |
| 562 | N | A | -2.1936 | |
| 563 | S | A | -1.6653 | |
| 564 | T | A | -1.3045 | |
| 565 | Y | A | 0.0000 | |
| 566 | T | A | -0.7169 | |
| 567 | A | A | 0.0000 | |
| 568 | L | A | -0.4372 | |
| 569 | I | A | 0.0000 | |
| 570 | I | A | 0.0153 | |
| 571 | A | A | 0.0000 | |
| 572 | T | A | 0.0000 | |
| 573 | D | A | 0.0000 | |
| 574 | D | A | -1.9192 | |
| 575 | G | A | 0.0000 | |
| 576 | S | A | -0.0322 | |
| 577 | P | A | 0.3013 | |
| 578 | I | A | 1.1996 | |
| 579 | A | A | 0.4036 | |
| 580 | T | A | 0.3430 | |
| 581 | G | A | 0.0000 | |
| 582 | T | A | 0.1264 | |
| 583 | G | A | 0.0000 | |
| 584 | T | A | -1.0544 | |
| 585 | L | A | 0.0000 | |
| 586 | L | A | -1.1146 | |
| 587 | L | A | 0.0000 | |
| 588 | V | A | -1.1463 | |
| 589 | L | A | 0.0000 | |
| 590 | S | A | -0.8548 | |
| 591 | D | A | -0.9621 | |
| 592 | V | A | -1.0254 | |
| 593 | N | A | -1.8601 | |
| 594 | D | A | -2.6702 | |
| 595 | N | A | -1.7175 | |
| 596 | A | A | -1.4460 | |
| 597 | P | A | 0.0000 | |
| 598 | I | A | -0.1192 | |
| 599 | P | A | 0.0000 | |
| 600 | E | A | -1.4802 | |
| 601 | P | A | -1.7102 | |
| 602 | R | A | -2.4015 | |
| 603 | N | A | -2.7979 | |
| 604 | M | A | 0.0000 | |
| 605 | Q | A | -1.6719 | |
| 606 | F | A | 0.0000 | |
| 607 | C | A | 0.0000 | |
| 608 | Q | A | -3.2906 | |
| 609 | R | A | -4.3317 | |
| 610 | N | A | -3.6549 | |
| 611 | P | A | -3.0506 | |
| 612 | K | A | -2.5545 | |
| 613 | P | A | -0.9983 | |
| 614 | H | A | 0.0726 | |
| 615 | V | A | 0.8524 | |
| 616 | I | A | 0.0000 | |
| 617 | T | A | -0.5015 | |
| 618 | I | A | 0.0000 | |
| 619 | L | A | 0.0799 | |
| 620 | D | A | -0.2768 | |
| 621 | P | A | -0.5449 | |
| 622 | D | A | 0.0000 | |
| 623 | L | A | 0.2647 | |
| 624 | P | A | -0.3841 | |
| 625 | P | A | -0.7800 | |
| 626 | N | A | 0.0000 | |
| 627 | T | A | -1.0931 | |
| 628 | S | A | -1.5182 | |
| 629 | P | A | -1.8583 | |
| 630 | F | A | 0.0000 | |
| 631 | T | A | -1.5171 | |
| 632 | A | A | -1.3011 | |
| 633 | E | A | -1.7776 | |
| 634 | L | A | -0.8380 | |
| 635 | T | A | -1.0806 | |
| 636 | H | A | -1.3067 | |
| 637 | G | A | -0.5269 | |
| 638 | A | A | -0.5595 | |
| 639 | S | A | -0.1627 | |
| 640 | V | A | 0.8645 | |
| 641 | N | A | -0.6718 | |
| 642 | W | A | 0.0000 | |
| 643 | T | A | -0.9357 | |
| 644 | I | A | -0.8269 | |
| 645 | E | A | -1.5547 | |
| 646 | Y | A | -1.4128 | |
| 647 | N | A | -1.7287 | |
| 648 | D | A | -2.5089 | |
| 649 | A | A | -1.7742 | |
| 650 | E | A | -2.8772 | |
| 651 | Q | A | -2.6082 | |
| 652 | E | A | -2.5583 | |
| 653 | S | A | 0.0000 | |
| 654 | L | A | 0.0000 | |
| 655 | I | A | -0.0958 | |
| 656 | L | A | 0.0000 | |
| 657 | Q | A | -1.3175 | |
| 658 | P | A | -2.0643 | |
| 659 | R | A | -2.5038 | |
| 660 | K | A | -2.9713 | |
| 661 | D | A | -3.5360 | |
| 662 | L | A | 0.0000 | |
| 663 | E | A | -1.9148 | |
| 664 | I | A | -0.0217 | |
| 665 | G | A | -0.9929 | |
| 666 | E | A | -2.5546 | |
| 667 | Y | A | -1.9711 | |
| 668 | K | A | -2.7659 | |
| 669 | I | A | 0.0000 | |
| 670 | N | A | -1.2348 | |
| 671 | L | A | 0.0000 | |
| 672 | K | A | -1.2657 | |
| 673 | L | A | 0.0000 | |
| 674 | S | A | 0.0000 | |
| 675 | D | A | 0.0000 | |
| 676 | N | A | -2.7014 | |
| 677 | Q | A | -2.9061 | |
| 678 | N | A | -3.0695 | |
| 679 | K | A | -3.0739 | |
| 680 | D | A | -2.7786 | |
| 681 | Q | A | -1.1229 | |
| 682 | V | A | 0.0608 | |
| 683 | T | A | 0.0000 | |
| 684 | T | A | -1.0809 | |
| 685 | L | A | 0.0000 | |
| 686 | E | A | -3.0208 | |
| 687 | V | A | 0.0000 | |
| 688 | H | A | -1.6960 | |
| 689 | V | A | 0.0000 | |
| 690 | C | A | 0.0000 | |
| 691 | D | A | -2.2982 | |
| 692 | C | A | -2.5816 | |
| 693 | E | A | -3.7418 | |
| 694 | G | A | -2.5805 | |
| 695 | T | A | -1.8699 | |
| 696 | V | A | -1.5609 | |
| 697 | N | A | -1.8442 | |
| 698 | N | A | -1.8295 | |
| 699 | C | A | -0.9670 | |
| 700 | M | A | -0.0755 | |
| 701 | K | A | -0.9259 | |
| 702 | A | A | 0.6672 | |
| 703 | I | A | 1.7997 | |
| 704 | S | A | 0.7700 | |
| 705 | L | A | 1.1156 | |
| 706 | E | A | -0.7949 | |
| 707 | A | A | -0.5086 | |
| 708 | G | A | -0.0753 | |
| 709 | L | A | 0.9171 | |
| 710 | Q | A | 0.3832 | |
| 711 | V | A | 1.9051 | |
| 712 | P | A | 1.3539 | |
| 713 | A | A | 1.5557 | |
| 714 | I | A | 2.5749 | |
| 715 | L | A | 2.9046 | |
| 716 | G | A | 1.9405 | |
| 717 | I | A | 2.9056 | |
| 718 | L | A | 3.2678 | |
| 719 | G | A | 2.2425 | |
| 720 | G | A | 2.4690 | |
| 721 | I | A | 3.9947 | |
| 722 | L | A | 4.0334 | |
| 723 | A | A | 3.5848 | |
| 724 | L | A | 4.5790 | |
| 725 | L | A | 4.8302 | |
| 726 | I | A | 5.0354 | |
| 727 | L | A | 5.2224 | |
| 728 | I | A | 4.7655 | |
| 729 | L | A | 4.7174 | |
| 730 | L | A | 4.4479 | |
| 731 | L | A | 3.6963 | |
| 732 | L | A | 2.6617 | |
| 733 | L | A | 1.9006 | |
| 734 | F | A | 1.3189 | |
| 735 | L | A | 0.8138 | |
| 736 | R | A | -1.4325 | |
| 737 | R | A | -2.1040 | |
| 738 | R | A | -1.7197 | |
| 739 | T | A | -0.5481 | |
| 740 | V | A | 0.9237 | |
| 741 | V | A | 1.0411 | |
| 742 | K | A | -1.0777 | |
| 743 | E | A | -1.5059 | |
| 744 | P | A | -0.2701 | |
| 745 | L | A | 1.3710 | |
| 746 | L | A | 0.8563 | |
| 747 | P | A | -0.4676 | |
| 748 | P | A | -1.4654 | |
| 749 | D | A | -3.0580 | |
| 750 | D | A | -3.6632 | |
| 751 | D | A | -4.2306 | |
| 752 | T | A | -3.1358 | |
| 753 | R | A | -3.6068 | |
| 754 | D | A | -2.9714 | |
| 755 | N | A | -1.4169 | |
| 756 | V | A | 1.4827 | |
| 757 | Y | A | 2.0054 | |
| 758 | Y | A | 2.0131 | |
| 759 | Y | A | 0.8276 | |
| 760 | D | A | -1.9705 | |
| 761 | E | A | -2.9803 | |
| 762 | E | A | -3.2236 | |
| 763 | G | A | -2.4699 | |
| 764 | G | A | -2.1695 | |
| 765 | G | A | -2.5062 | |
| 766 | E | A | -3.6310 | |
| 767 | E | A | -4.2216 | |
| 768 | D | A | -3.9555 | |
| 769 | Q | A | -3.2763 | |
| 770 | D | A | -2.3889 | |
| 771 | F | A | -0.0404 | |
| 772 | D | A | -0.7711 | |
| 773 | L | A | 0.6554 | |
| 774 | S | A | -0.4569 | |
| 775 | Q | A | -0.9786 | |
| 776 | L | A | 0.2793 | |
| 777 | H | A | -1.2115 | |
| 778 | R | A | -2.2163 | |
| 779 | G | A | -1.2075 | |
| 780 | L | A | -0.2795 | |
| 781 | D | A | -2.2707 | |
| 782 | A | A | -1.6275 | |
| 783 | R | A | -2.4509 | |
| 784 | P | A | -1.5248 | |
| 785 | E | A | -1.3141 | |
| 786 | V | A | 0.8722 | |
| 787 | I | A | 0.9955 | |
| 788 | R | A | -1.5661 | |
| 789 | N | A | -1.9152 | |
| 790 | D | A | -1.8883 | |
| 791 | V | A | 0.3187 | |
| 792 | A | A | 0.3706 | |
| 793 | P | A | 0.5544 | |
| 794 | T | A | 1.0890 | |
| 795 | L | A | 2.0440 | |
| 796 | M | A | 1.8565 | |
| 797 | S | A | 1.0105 | |
| 798 | M | A | 1.1479 | |
| 799 | P | A | -0.0543 | |
| 800 | Q | A | -0.9515 | |
| 801 | Y | A | -0.5330 | |
| 802 | R | A | -2.1081 | |
| 803 | P | A | -1.8586 | |
| 804 | R | A | -2.3593 | |
| 805 | P | A | -2.1544 | |
| 806 | A | A | -1.4633 | |
| 807 | N | A | -2.4829 | |
| 808 | P | A | -2.1908 | |
| 809 | D | A | -2.9809 | |
| 810 | E | A | -2.8701 | |
| 811 | I | A | -1.5694 | |
| 812 | G | A | -1.4170 | |
| 813 | N | A | -1.7440 | |
| 814 | F | A | -1.4744 | |
| 815 | I | A | -0.5173 | |
| 816 | D | A | -1.7310 | |
| 817 | E | A | -1.5367 | |
| 818 | N | A | -1.2329 | |
| 819 | L | A | -0.2577 | |
| 820 | K | A | -2.0723 | |
| 821 | A | A | -1.4279 | |
| 822 | A | A | -1.2533 | |
| 823 | D | A | -2.1668 | |
| 824 | S | A | -1.4887 | |
| 825 | D | A | -1.0279 | |
| 826 | P | A | -0.4942 | |
| 827 | T | A | -0.2018 | |
| 828 | A | A | -0.4580 | |
| 829 | P | A | -0.3069 | |
| 830 | P | A | -0.1905 | |
| 831 | Y | A | 0.8398 | |
| 832 | D | A | -0.4364 | |
| 833 | S | A | 1.3002 | |
| 834 | L | A | 2.7064 | |
| 835 | L | A | 3.3151 | |
| 836 | V | A | 3.3468 | |
| 837 | F | A | 2.7059 | |
| 838 | D | A | 0.2420 | |
| 839 | Y | A | 0.5090 | |
| 840 | E | A | -1.4695 | |
| 841 | G | A | -1.4962 | |
| 842 | S | A | -1.2218 | |
| 843 | G | A | -1.4312 | |
| 844 | S | A | -1.6389 | |
| 845 | E | A | -2.0366 | |
| 846 | A | A | -0.7520 | |
| 847 | A | A | -0.1538 | |
| 848 | S | A | 0.1227 | |
| 849 | L | A | 1.6243 | |
| 850 | S | A | 0.8889 | |
| 851 | S | A | 0.4641 | |
| 852 | L | A | 0.9677 | |
| 853 | N | A | -1.2671 | |
| 854 | S | A | -1.4758 | |
| 855 | S | A | -1.9667 | |
| 856 | E | A | -2.9104 | |
| 857 | S | A | -2.9455 | |
| 858 | D | A | -4.1436 | |
| 859 | Q | A | -3.8626 | |
| 860 | D | A | -3.9375 | |
| 861 | Q | A | -3.7037 | |
| 862 | D | A | -3.3030 | |
| 863 | Y | A | -1.3662 | |
| 864 | D | A | -2.4833 | |
| 865 | Y | A | -0.5066 | |
| 866 | L | A | 0.0000 | |
| 867 | N | A | -2.1105 | |
| 868 | E | A | -1.7054 | |
| 869 | W | A | -0.2811 | |
| 870 | G | A | -1.5052 | |
| 871 | N | A | -2.7018 | |
| 872 | R | A | -2.5908 | |
| 873 | F | A | -1.6829 | |
| 874 | K | A | -2.8640 | |
| 875 | K | A | -2.5714 | |
| 876 | L | A | -0.8797 | |
| 877 | A | A | 0.0000 | |
| 878 | D | A | -2.0050 | |
| 879 | M | A | 0.2352 | |
| 880 | Y | A | 0.3157 | |
| 881 | G | A | -1.3594 | |
| 882 | G | A | -1.9430 | |
| 883 | G | A | -2.4036 | |
| 884 | E | A | -3.5228 | |
| 885 | E | A | -3.7566 | |
| 886 | D | A | -3.1760 |
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 | -0.3547 | 6.7767 | View | CSV | PDB |
| 4.5 | -0.4597 | 6.7767 | View | CSV | PDB |
| 5.0 | -0.5937 | 6.7767 | View | CSV | PDB |
| 5.5 | -0.7342 | 6.7767 | View | CSV | PDB |
| 6.0 | -0.8596 | 6.7767 | View | CSV | PDB |
| 6.5 | -0.955 | 6.7767 | View | CSV | PDB |
| 7.0 | -1.0177 | 6.7767 | View | CSV | PDB |
| 7.5 | -1.0561 | 6.7767 | View | CSV | PDB |
| 8.0 | -1.0794 | 6.7767 | View | CSV | PDB |
| 8.5 | -1.0908 | 6.7767 | View | CSV | PDB |
| 9.0 | -1.0879 | 6.7767 | 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