| Chain sequence(s) | LVEAGNTGRVLALDAAAFLKKSGLPDLILGKIWDLADTDGKGVLNKQEFFIALRLVACAQNGLEVSLSSLNLAVPPPRFHDSSSPLLTSGTSVAELPWAVKSEDKAKYDAIFDSLSPVDGFLSGDKVKPVLLNSKLPVEILGRVWELSDIDHDGKLDRDEFAVAMFLVYCALEKEPVPMSLPPALVPPSKRKTWVVSPAEKAKYDEIFLKTDKDMDGYVSGLEVRETFLKTGLPSTLLAHIWALCDTKNCGKLSKDQFALAFHLINQKLIKGIDPPHSLTPEMIPPSDKSSLQKNTIGSSPVADFSAIKELDTLNNEIIDLQREKNNVEQDLKEKEDTVRQRTTEAQDLQDEVQRESLNLQKLQAQKQQVQELLDELDEQKAQLEEQLKEVRKKCAEEAQLISSLKAEITSQESQISTYEEELSKAREELSRLQQETAQLEESVESGKAQLEPLQQHLQDSQQEISSMQMRLAMKDLETDNNQSNWCSSPQSILVNGAADYCSLSTSSSETANLNEHAEGQNNLESEPIHPESSVRSSPEIAPSDVTDESEVVTAADIEKVSPRFDDDKHSKEEDPFNVESSSLTDAVADTNLDFFQSDPFVGSDPFKDDPFGKIDPFGGDPFKGSDPFASDCFFKQTSTDPFATSSTDPFSASSNSSNTSVETWKHNDPFAPGGTVVAATDSATDPFASVFGNESFGDGFADFSTLSKVSNEDPFNPTISSSASSVVIPKPVLEETPSKSEDVPPALPPKTGTPTRPCPPPPGKRPINKLDSSDPFKLNDPFQPFPGNDSPKEKDPDMFCDPFTSSSTTANKEAEPSNFANFSAYPSEEDMIEWAKRESEREEEQRLARLNQQEQEDLELAIALSKSEISEA 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e37e82233e106/tmp/folded.pdb (00:11:37)
[INFO] Main: Simulation completed successfully. (00:16:18)
|
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 | L | A | 1.3535 | |
| 2 | V | A | 0.3721 | |
| 3 | E | A | -0.7747 | |
| 4 | A | A | -0.5921 | |
| 5 | G | A | -1.2829 | |
| 6 | N | A | -2.0038 | |
| 7 | T | A | -1.6709 | |
| 8 | G | A | -2.2518 | |
| 9 | R | A | -2.6614 | |
| 10 | V | A | 0.0000 | |
| 11 | L | A | 0.5808 | |
| 12 | A | A | 0.6168 | |
| 13 | L | A | 1.3742 | |
| 14 | D | A | -0.0568 | |
| 15 | A | A | 0.0000 | |
| 16 | A | A | -0.3226 | |
| 17 | A | A | -0.3979 | |
| 18 | F | A | -0.5014 | |
| 19 | L | A | 0.0000 | |
| 20 | K | A | -2.5127 | |
| 21 | K | A | -2.5059 | |
| 22 | S | A | 0.0000 | |
| 23 | G | A | -1.9839 | |
| 24 | L | A | -0.7231 | |
| 25 | P | A | -0.6686 | |
| 26 | D | A | -1.5612 | |
| 27 | L | A | 0.4621 | |
| 28 | I | A | -0.3082 | |
| 29 | L | A | 0.0000 | |
| 30 | G | A | -1.1236 | |
| 31 | K | A | -1.8794 | |
| 32 | I | A | 0.0000 | |
| 33 | W | A | -1.0096 | |
| 34 | D | A | -2.4653 | |
| 35 | L | A | -0.9956 | |
| 36 | A | A | 0.0000 | |
| 37 | D | A | 0.0000 | |
| 38 | T | A | -1.7391 | |
| 39 | D | A | -2.7798 | |
| 40 | G | A | -2.4510 | |
| 41 | K | A | -2.4364 | |
| 42 | G | A | -0.9567 | |
| 43 | V | A | -0.7597 | |
| 44 | L | A | 0.0000 | |
| 45 | N | A | -2.1058 | |
| 46 | K | A | -2.1062 | |
| 47 | Q | A | -1.4816 | |
| 48 | E | A | -0.9384 | |
| 49 | F | A | 0.0000 | |
| 50 | F | A | 0.8617 | |
| 51 | I | A | 0.4325 | |
| 52 | A | A | 0.0000 | |
| 53 | L | A | -0.0989 | |
| 54 | R | A | -0.8556 | |
| 55 | L | A | 0.0000 | |
| 56 | V | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | C | A | 0.0000 | |
| 59 | A | A | -1.0194 | |
| 60 | Q | A | -1.5109 | |
| 61 | N | A | -1.2634 | |
| 62 | G | A | -1.1684 | |
| 63 | L | A | -0.7936 | |
| 64 | E | A | -1.7214 | |
| 65 | V | A | 0.0000 | |
| 66 | S | A | -0.2204 | |
| 67 | L | A | 0.4758 | |
| 68 | S | A | -0.0184 | |
| 69 | S | A | -0.1930 | |
| 70 | L | A | -0.0405 | |
| 71 | N | A | -0.5641 | |
| 72 | L | A | 0.7206 | |
| 73 | A | A | 0.3338 | |
| 74 | V | A | -0.0183 | |
| 75 | P | A | -0.6048 | |
| 76 | P | A | -1.0274 | |
| 77 | P | A | -1.4332 | |
| 78 | R | A | -2.2875 | |
| 79 | F | A | -1.9591 | |
| 80 | H | A | -2.6865 | |
| 81 | D | A | -2.7854 | |
| 82 | S | A | -1.4512 | |
| 83 | S | A | -0.9397 | |
| 84 | S | A | -0.0210 | |
| 85 | P | A | 0.6809 | |
| 86 | L | A | 2.0516 | |
| 87 | L | A | 2.0622 | |
| 88 | T | A | 0.8718 | |
| 89 | S | A | 0.0780 | |
| 90 | G | A | -0.2722 | |
| 91 | T | A | -0.2387 | |
| 92 | S | A | 0.1420 | |
| 93 | V | A | 1.3731 | |
| 94 | A | A | 0.2012 | |
| 95 | E | A | -0.6844 | |
| 96 | L | A | 0.8575 | |
| 97 | P | A | -0.1888 | |
| 98 | W | A | -0.2079 | |
| 99 | A | A | -0.1946 | |
| 100 | V | A | 0.0000 | |
| 101 | K | A | -2.7129 | |
| 102 | S | A | -2.3978 | |
| 103 | E | A | -3.1669 | |
| 104 | D | A | -2.8026 | |
| 105 | K | A | -2.2458 | |
| 106 | A | A | -1.7691 | |
| 107 | K | A | -1.7208 | |
| 108 | Y | A | 0.0000 | |
| 109 | D | A | -1.2241 | |
| 110 | A | A | -0.8787 | |
| 111 | I | A | -0.4483 | |
| 112 | F | A | 0.0000 | |
| 113 | D | A | -1.8146 | |
| 114 | S | A | -0.8412 | |
| 115 | L | A | -0.3347 | |
| 116 | S | A | -0.6699 | |
| 117 | P | A | -0.6826 | |
| 118 | V | A | 0.1658 | |
| 119 | D | A | -1.3885 | |
| 120 | G | A | -1.1243 | |
| 121 | F | A | -0.5479 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | -1.3848 | |
| 124 | G | A | -1.7768 | |
| 125 | D | A | -2.7225 | |
| 126 | K | A | -2.0282 | |
| 127 | V | A | 0.0000 | |
| 128 | K | A | -1.8129 | |
| 129 | P | A | -1.1574 | |
| 130 | V | A | -0.7130 | |
| 131 | L | A | 0.0000 | |
| 132 | L | A | -0.2605 | |
| 133 | N | A | -1.5062 | |
| 134 | S | A | -0.9079 | |
| 135 | K | A | -1.4610 | |
| 136 | L | A | -0.2972 | |
| 137 | P | A | 0.1189 | |
| 138 | V | A | 0.6355 | |
| 139 | E | A | -1.0064 | |
| 140 | I | A | -0.2058 | |
| 141 | L | A | 0.0000 | |
| 142 | G | A | -1.2934 | |
| 143 | R | A | -1.6311 | |
| 144 | V | A | 0.0000 | |
| 145 | W | A | -1.6004 | |
| 146 | E | A | -2.4243 | |
| 147 | L | A | 0.0000 | |
| 148 | S | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | I | A | -1.5990 | |
| 151 | D | A | -2.7584 | |
| 152 | H | A | -2.9100 | |
| 153 | D | A | -3.0240 | |
| 154 | G | A | -2.3739 | |
| 155 | K | A | -1.9125 | |
| 156 | L | A | 0.0000 | |
| 157 | D | A | -0.9120 | |
| 158 | R | A | -1.0832 | |
| 159 | D | A | -0.7465 | |
| 160 | E | A | 0.0000 | |
| 161 | F | A | 0.0000 | |
| 162 | A | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | M | A | 0.0000 | |
| 166 | F | A | 0.2014 | |
| 167 | L | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | Y | A | -0.0512 | |
| 170 | C | A | -1.0304 | |
| 171 | A | A | -1.0902 | |
| 172 | L | A | -1.1460 | |
| 173 | E | A | -2.7415 | |
| 174 | K | A | -3.1809 | |
| 175 | E | A | -3.0262 | |
| 176 | P | A | -1.3613 | |
| 177 | V | A | -0.2058 | |
| 178 | P | A | 0.1055 | |
| 179 | M | A | 0.8280 | |
| 180 | S | A | 0.0384 | |
| 181 | L | A | 0.1762 | |
| 182 | P | A | 0.0448 | |
| 183 | P | A | 0.0137 | |
| 184 | A | A | 0.1067 | |
| 185 | L | A | 0.0000 | |
| 186 | V | A | -0.0418 | |
| 187 | P | A | 0.0000 | |
| 188 | P | A | -0.8697 | |
| 189 | S | A | -0.8740 | |
| 190 | K | A | -1.3153 | |
| 191 | R | A | -1.4769 | |
| 192 | K | A | -2.3476 | |
| 193 | T | A | -1.2319 | |
| 194 | W | A | -0.4865 | |
| 195 | V | A | -0.0070 | |
| 196 | V | A | 0.0000 | |
| 197 | S | A | -0.3289 | |
| 198 | P | A | -0.4190 | |
| 199 | A | A | -0.7033 | |
| 200 | E | A | -1.4067 | |
| 201 | K | A | -1.8804 | |
| 202 | A | A | -1.7570 | |
| 203 | K | A | -2.4486 | |
| 204 | Y | A | 0.0000 | |
| 205 | D | A | -2.1639 | |
| 206 | E | A | -2.5306 | |
| 207 | I | A | -1.3637 | |
| 208 | F | A | 0.0000 | |
| 209 | L | A | -0.6622 | |
| 210 | K | A | -1.8944 | |
| 211 | T | A | -1.5404 | |
| 212 | D | A | 0.0000 | |
| 213 | K | A | -2.7322 | |
| 214 | D | A | -2.6580 | |
| 215 | M | A | -1.1792 | |
| 216 | D | A | -2.0399 | |
| 217 | G | A | -1.0070 | |
| 218 | Y | A | -0.6538 | |
| 219 | V | A | 0.0000 | |
| 220 | S | A | -0.5937 | |
| 221 | G | A | -0.1554 | |
| 222 | L | A | 0.5240 | |
| 223 | E | A | -1.1353 | |
| 224 | V | A | 0.0000 | |
| 225 | R | A | -1.4550 | |
| 226 | E | A | -2.1900 | |
| 227 | T | A | -1.5305 | |
| 228 | F | A | 0.0000 | |
| 229 | L | A | -0.8285 | |
| 230 | K | A | -1.9299 | |
| 231 | T | A | -0.7757 | |
| 232 | G | A | -0.5694 | |
| 233 | L | A | -0.0858 | |
| 234 | P | A | -0.2267 | |
| 235 | S | A | -0.3468 | |
| 236 | T | A | -0.3400 | |
| 237 | L | A | -0.5021 | |
| 238 | L | A | 0.0000 | |
| 239 | A | A | -0.5227 | |
| 240 | H | A | -1.0029 | |
| 241 | I | A | 0.0000 | |
| 242 | W | A | -0.4491 | |
| 243 | A | A | -0.6144 | |
| 244 | L | A | -0.4590 | |
| 245 | C | A | 0.0000 | |
| 246 | D | A | 0.0000 | |
| 247 | T | A | -1.0412 | |
| 248 | K | A | -2.2832 | |
| 249 | N | A | -1.9948 | |
| 250 | C | A | -1.0203 | |
| 251 | G | A | -0.8426 | |
| 252 | K | A | -0.9430 | |
| 253 | L | A | 0.0000 | |
| 254 | S | A | -0.5953 | |
| 255 | K | A | -0.9201 | |
| 256 | D | A | -0.7942 | |
| 257 | Q | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | H | A | -0.3886 | |
| 264 | L | A | 0.0000 | |
| 265 | I | A | 0.0000 | |
| 266 | N | A | 0.2160 | |
| 267 | Q | A | -0.3634 | |
| 268 | K | A | -0.1900 | |
| 269 | L | A | 0.9165 | |
| 270 | I | A | 1.4699 | |
| 271 | K | A | -0.7042 | |
| 272 | G | A | -0.3528 | |
| 273 | I | A | 0.1737 | |
| 274 | D | A | -1.5391 | |
| 275 | P | A | -1.0827 | |
| 276 | P | A | -0.9174 | |
| 277 | H | A | -1.4487 | |
| 278 | S | A | -0.5880 | |
| 279 | L | A | -0.3617 | |
| 280 | T | A | -0.7187 | |
| 281 | P | A | -1.1216 | |
| 282 | E | A | -1.9892 | |
| 283 | M | A | -0.4572 | |
| 284 | I | A | -0.4645 | |
| 285 | P | A | 0.0000 | |
| 286 | P | A | -0.9331 | |
| 287 | S | A | -0.8138 | |
| 288 | D | A | -0.9742 | |
| 289 | K | A | -1.3581 | |
| 290 | S | A | -0.7469 | |
| 291 | S | A | -0.5003 | |
| 292 | L | A | -0.0149 | |
| 293 | Q | A | -1.7658 | |
| 294 | K | A | -2.3464 | |
| 295 | N | A | -1.7803 | |
| 296 | T | A | -0.3437 | |
| 297 | I | A | 1.2522 | |
| 298 | G | A | 0.1916 | |
| 299 | S | A | -0.1913 | |
| 300 | S | A | -0.1934 | |
| 301 | P | A | 0.4671 | |
| 302 | V | A | 1.2526 | |
| 303 | A | A | 0.2295 | |
| 304 | D | A | -0.7281 | |
| 305 | F | A | 0.7030 | |
| 306 | S | A | -0.0547 | |
| 307 | A | A | 0.1404 | |
| 308 | I | A | 1.0255 | |
| 309 | K | A | -1.5579 | |
| 310 | E | A | -1.4953 | |
| 311 | L | A | -0.2532 | |
| 312 | D | A | -2.0277 | |
| 313 | T | A | -1.7576 | |
| 314 | L | A | -0.7431 | |
| 315 | N | A | -1.6162 | |
| 316 | N | A | -2.4024 | |
| 317 | E | A | -2.1304 | |
| 318 | I | A | -0.6222 | |
| 319 | I | A | -1.1667 | |
| 320 | D | A | -3.2444 | |
| 321 | L | A | -2.4689 | |
| 322 | Q | A | -3.0475 | |
| 323 | R | A | -4.5167 | |
| 324 | E | A | -4.7372 | |
| 325 | K | A | -4.6983 | |
| 326 | N | A | -4.8087 | |
| 327 | N | A | -4.3619 | |
| 328 | V | A | -3.0663 | |
| 329 | E | A | -4.3100 | |
| 330 | Q | A | -4.5468 | |
| 331 | D | A | -4.0559 | |
| 332 | L | A | -2.7537 | |
| 333 | K | A | -4.3140 | |
| 334 | E | A | -4.8827 | |
| 335 | K | A | -4.5268 | |
| 336 | E | A | -4.5985 | |
| 337 | D | A | -4.7815 | |
| 338 | T | A | -3.2362 | |
| 339 | V | A | -2.4070 | |
| 340 | R | A | -3.9710 | |
| 341 | Q | A | -3.9212 | |
| 342 | R | A | -3.8260 | |
| 343 | T | A | -2.6577 | |
| 344 | T | A | -2.9147 | |
| 345 | E | A | -3.6904 | |
| 346 | A | A | -2.9202 | |
| 347 | Q | A | -3.3462 | |
| 348 | D | A | -3.4914 | |
| 349 | L | A | -1.4682 | |
| 350 | Q | A | -2.7236 | |
| 351 | D | A | -3.6688 | |
| 352 | E | A | -2.3620 | |
| 353 | V | A | -0.9373 | |
| 354 | Q | A | -2.0350 | |
| 355 | R | A | -2.2371 | |
| 356 | E | A | -1.6477 | |
| 357 | S | A | -0.7165 | |
| 358 | L | A | -0.2218 | |
| 359 | N | A | -0.5183 | |
| 360 | L | A | 0.0777 | |
| 361 | Q | A | -1.5700 | |
| 362 | K | A | -2.0435 | |
| 363 | L | A | -0.8302 | |
| 364 | Q | A | -2.2211 | |
| 365 | A | A | -2.4697 | |
| 366 | Q | A | -2.9608 | |
| 367 | K | A | -3.4498 | |
| 368 | Q | A | -3.0623 | |
| 369 | Q | A | -2.2895 | |
| 370 | V | A | -1.3728 | |
| 371 | Q | A | -2.2653 | |
| 372 | E | A | -2.5546 | |
| 373 | L | A | -0.5953 | |
| 374 | L | A | -0.6141 | |
| 375 | D | A | -3.2492 | |
| 376 | E | A | -3.1439 | |
| 377 | L | A | -1.7452 | |
| 378 | D | A | -3.4873 | |
| 379 | E | A | -4.2744 | |
| 380 | Q | A | -3.8471 | |
| 381 | K | A | -4.0025 | |
| 382 | A | A | -3.4222 | |
| 383 | Q | A | -3.5130 | |
| 384 | L | A | -2.5948 | |
| 385 | E | A | -3.5974 | |
| 386 | E | A | -4.2302 | |
| 387 | Q | A | -3.2459 | |
| 388 | L | A | -2.6811 | |
| 389 | K | A | -4.4858 | |
| 390 | E | A | -4.2546 | |
| 391 | V | A | -2.9039 | |
| 392 | R | A | -4.2282 | |
| 393 | K | A | -4.6532 | |
| 394 | K | A | -4.2856 | |
| 395 | C | A | -2.6849 | |
| 396 | A | A | -2.6764 | |
| 397 | E | A | -3.5327 | |
| 398 | E | A | -2.7930 | |
| 399 | A | A | -1.1242 | |
| 400 | Q | A | -1.4782 | |
| 401 | L | A | 0.2542 | |
| 402 | I | A | 0.8883 | |
| 403 | S | A | -0.2281 | |
| 404 | S | A | -0.0472 | |
| 405 | L | A | 0.5406 | |
| 406 | K | A | -0.9127 | |
| 407 | A | A | -0.9152 | |
| 408 | E | A | -1.6785 | |
| 409 | I | A | -0.6276 | |
| 410 | T | A | -1.2749 | |
| 411 | S | A | -1.7551 | |
| 412 | Q | A | -2.2484 | |
| 413 | E | A | -2.2780 | |
| 414 | S | A | -1.7051 | |
| 415 | Q | A | -1.5531 | |
| 416 | I | A | -0.9777 | |
| 417 | S | A | -1.6507 | |
| 418 | T | A | -1.6103 | |
| 419 | Y | A | -0.8905 | |
| 420 | E | A | -2.7169 | |
| 421 | E | A | -3.6056 | |
| 422 | E | A | -3.5982 | |
| 423 | L | A | -2.8323 | |
| 424 | S | A | -3.4524 | |
| 425 | K | A | -4.2245 | |
| 426 | A | A | -3.3331 | |
| 427 | R | A | -3.7042 | |
| 428 | E | A | -4.1331 | |
| 429 | E | A | -3.1554 | |
| 430 | L | A | -1.5908 | |
| 431 | S | A | -2.7872 | |
| 432 | R | A | -3.4823 | |
| 433 | L | A | -2.0079 | |
| 434 | Q | A | -2.5308 | |
| 435 | Q | A | -3.2484 | |
| 436 | E | A | -3.2613 | |
| 437 | T | A | -2.3567 | |
| 438 | A | A | -2.4404 | |
| 439 | Q | A | -2.6892 | |
| 440 | L | A | -1.1509 | |
| 441 | E | A | -2.7139 | |
| 442 | E | A | -3.2543 | |
| 443 | S | A | -1.4843 | |
| 444 | V | A | -0.8969 | |
| 445 | E | A | -2.8435 | |
| 446 | S | A | -2.1166 | |
| 447 | G | A | -1.8782 | |
| 448 | K | A | -2.5883 | |
| 449 | A | A | -1.7679 | |
| 450 | Q | A | -1.7194 | |
| 451 | L | A | -1.1032 | |
| 452 | E | A | -2.4113 | |
| 453 | P | A | -1.5895 | |
| 454 | L | A | -0.8278 | |
| 455 | Q | A | -2.1931 | |
| 456 | Q | A | -2.7271 | |
| 457 | H | A | -2.2577 | |
| 458 | L | A | -1.5024 | |
| 459 | Q | A | -2.9826 | |
| 460 | D | A | -3.4526 | |
| 461 | S | A | -2.5039 | |
| 462 | Q | A | -2.5895 | |
| 463 | Q | A | -3.0591 | |
| 464 | E | A | -2.5353 | |
| 465 | I | A | -0.8674 | |
| 466 | S | A | -1.1863 | |
| 467 | S | A | -1.0116 | |
| 468 | M | A | -0.4700 | |
| 469 | Q | A | -0.8970 | |
| 470 | M | A | -0.3932 | |
| 471 | R | A | -1.1841 | |
| 472 | L | A | -0.7314 | |
| 473 | A | A | -0.7417 | |
| 474 | M | A | -0.8130 | |
| 475 | K | A | -2.6007 | |
| 476 | D | A | -2.7197 | |
| 477 | L | A | -1.5399 | |
| 478 | E | A | -3.0465 | |
| 479 | T | A | -3.1535 | |
| 480 | D | A | -3.7984 | |
| 481 | N | A | -3.4375 | |
| 482 | N | A | -3.1962 | |
| 483 | Q | A | -2.7930 | |
| 484 | S | A | -1.8508 | |
| 485 | N | A | -0.8072 | |
| 486 | W | A | 0.7765 | |
| 487 | C | A | 0.8459 | |
| 488 | S | A | 0.2324 | |
| 489 | S | A | -0.5687 | |
| 490 | P | A | -1.0334 | |
| 491 | Q | A | -1.0132 | |
| 492 | S | A | 0.4308 | |
| 493 | I | A | 2.7272 | |
| 494 | L | A | 3.1303 | |
| 495 | V | A | 2.3810 | |
| 496 | N | A | -0.3357 | |
| 497 | G | A | -0.6145 | |
| 498 | A | A | -0.7219 | |
| 499 | A | A | -0.8745 | |
| 500 | D | A | -0.9687 | |
| 501 | Y | A | 0.7863 | |
| 502 | C | A | 1.2663 | |
| 503 | S | A | 1.1550 | |
| 504 | L | A | 1.4835 | |
| 505 | S | A | 0.4422 | |
| 506 | T | A | -0.0398 | |
| 507 | S | A | -0.4502 | |
| 508 | S | A | -0.8697 | |
| 509 | S | A | -1.2861 | |
| 510 | E | A | -1.9991 | |
| 511 | T | A | -1.3777 | |
| 512 | A | A | -0.7616 | |
| 513 | N | A | -0.7593 | |
| 514 | L | A | -0.0345 | |
| 515 | N | A | -2.0085 | |
| 516 | E | A | -2.6614 | |
| 517 | H | A | -2.4719 | |
| 518 | A | A | -1.8398 | |
| 519 | E | A | -2.5266 | |
| 520 | G | A | -2.3116 | |
| 521 | Q | A | -2.7465 | |
| 522 | N | A | -2.3344 | |
| 523 | N | A | -1.7103 | |
| 524 | L | A | -0.2495 | |
| 525 | E | A | -1.7349 | |
| 526 | S | A | -1.7337 | |
| 527 | E | A | -1.9820 | |
| 528 | P | A | -0.5507 | |
| 529 | I | A | 0.9810 | |
| 530 | H | A | -0.7254 | |
| 531 | P | A | -1.4577 | |
| 532 | E | A | -2.3614 | |
| 533 | S | A | -0.9789 | |
| 534 | S | A | -0.0486 | |
| 535 | V | A | 0.6955 | |
| 536 | R | A | -1.1973 | |
| 537 | S | A | -0.9605 | |
| 538 | S | A | -1.2098 | |
| 539 | P | A | -0.9314 | |
| 540 | E | A | -1.0166 | |
| 541 | I | A | 1.0712 | |
| 542 | A | A | 0.2925 | |
| 543 | P | A | -0.1037 | |
| 544 | S | A | -0.8205 | |
| 545 | D | A | -0.9524 | |
| 546 | V | A | 0.0812 | |
| 547 | T | A | -1.0700 | |
| 548 | D | A | -2.5496 | |
| 549 | E | A | -3.0264 | |
| 550 | S | A | -1.7389 | |
| 551 | E | A | -1.1916 | |
| 552 | V | A | 1.7859 | |
| 553 | V | A | 2.1947 | |
| 554 | T | A | 1.0204 | |
| 555 | A | A | 0.2184 | |
| 556 | A | A | -0.3532 | |
| 557 | D | A | -1.1563 | |
| 558 | I | A | -0.1460 | |
| 559 | E | A | -1.6887 | |
| 560 | K | A | -1.2938 | |
| 561 | V | A | 0.0833 | |
| 562 | S | A | -0.1910 | |
| 563 | P | A | -0.4968 | |
| 564 | R | A | -1.2820 | |
| 565 | F | A | -0.2314 | |
| 566 | D | A | -2.5010 | |
| 567 | D | A | -3.7068 | |
| 568 | D | A | -4.1527 | |
| 569 | K | A | -3.5302 | |
| 570 | H | A | -2.8292 | |
| 571 | S | A | -2.4938 | |
| 572 | K | A | -3.6713 | |
| 573 | E | A | -4.2322 | |
| 574 | E | A | -4.0856 | |
| 575 | D | A | -3.0990 | |
| 576 | P | A | -1.2119 | |
| 577 | F | A | 0.8772 | |
| 578 | N | A | 0.0444 | |
| 579 | V | A | 0.5395 | |
| 580 | E | A | -1.0236 | |
| 581 | S | A | -0.8984 | |
| 582 | S | A | -0.2937 | |
| 583 | S | A | 0.3462 | |
| 584 | L | A | 0.9824 | |
| 585 | T | A | -0.3662 | |
| 586 | D | A | -1.0923 | |
| 587 | A | A | 0.2072 | |
| 588 | V | A | 1.1018 | |
| 589 | A | A | 0.0563 | |
| 590 | D | A | -1.7225 | |
| 591 | T | A | -1.2667 | |
| 592 | N | A | -1.2851 | |
| 593 | L | A | 0.3821 | |
| 594 | D | A | -0.1175 | |
| 595 | F | A | 2.0106 | |
| 596 | F | A | 1.7163 | |
| 597 | Q | A | -0.4994 | |
| 598 | S | A | -0.5560 | |
| 599 | D | A | -1.0914 | |
| 600 | P | A | 0.0087 | |
| 601 | F | A | 1.8170 | |
| 602 | V | A | 1.8161 | |
| 603 | G | A | 0.5673 | |
| 604 | S | A | -0.3371 | |
| 605 | D | A | -0.9737 | |
| 606 | P | A | -0.7789 | |
| 607 | F | A | -0.2309 | |
| 608 | K | A | -2.4575 | |
| 609 | D | A | -2.9458 | |
| 610 | D | A | -2.5163 | |
| 611 | P | A | -1.0055 | |
| 612 | F | A | 0.4813 | |
| 613 | G | A | -1.0295 | |
| 614 | K | A | -1.0230 | |
| 615 | I | A | 0.6721 | |
| 616 | D | A | -0.7320 | |
| 617 | P | A | 0.1369 | |
| 618 | F | A | 0.9128 | |
| 619 | G | A | -0.4669 | |
| 620 | G | A | -1.3484 | |
| 621 | D | A | -1.8311 | |
| 622 | P | A | -0.9096 | |
| 623 | F | A | -0.0114 | |
| 624 | K | A | -1.8233 | |
| 625 | G | A | -1.3950 | |
| 626 | S | A | -1.1532 | |
| 627 | D | A | -1.5081 | |
| 628 | P | A | -0.3121 | |
| 629 | F | A | 1.0579 | |
| 630 | A | A | 0.0510 | |
| 631 | S | A | -0.3372 | |
| 632 | D | A | -0.5050 | |
| 633 | C | A | 1.0246 | |
| 634 | F | A | 2.1657 | |
| 635 | F | A | 1.6539 | |
| 636 | K | A | -0.7757 | |
| 637 | Q | A | -1.4400 | |
| 638 | T | A | -1.1490 | |
| 639 | S | A | -0.9742 | |
| 640 | T | A | -1.0437 | |
| 641 | D | A | -1.4473 | |
| 642 | P | A | -0.1972 | |
| 643 | F | A | 1.3080 | |
| 644 | A | A | 0.4774 | |
| 645 | T | A | 0.2523 | |
| 646 | S | A | -0.1436 | |
| 647 | S | A | -0.7697 | |
| 648 | T | A | -0.9295 | |
| 649 | D | A | -1.4967 | |
| 650 | P | A | -0.2649 | |
| 651 | F | A | 1.2075 | |
| 652 | S | A | 0.3421 | |
| 653 | A | A | 0.2198 | |
| 654 | S | A | -0.3676 | |
| 655 | S | A | -0.9726 | |
| 656 | N | A | -1.5690 | |
| 657 | S | A | -1.2524 | |
| 658 | S | A | -1.2102 | |
| 659 | N | A | -1.4985 | |
| 660 | T | A | -0.4844 | |
| 661 | S | A | -0.0373 | |
| 662 | V | A | 0.7685 | |
| 663 | E | A | -0.8016 | |
| 664 | T | A | -0.3575 | |
| 665 | W | A | -0.2474 | |
| 666 | K | A | -2.1443 | |
| 667 | H | A | -2.6113 | |
| 668 | N | A | -2.8282 | |
| 669 | D | A | -2.3607 | |
| 670 | P | A | -0.5082 | |
| 671 | F | A | 1.0961 | |
| 672 | A | A | 0.1844 | |
| 673 | P | A | -0.1068 | |
| 674 | G | A | -0.6176 | |
| 675 | G | A | -0.4223 | |
| 676 | T | A | 0.8326 | |
| 677 | V | A | 2.6207 | |
| 678 | V | A | 2.7597 | |
| 679 | A | A | 1.3123 | |
| 680 | A | A | 0.0217 | |
| 681 | T | A | -0.9452 | |
| 682 | D | A | -1.9058 | |
| 683 | S | A | -1.1045 | |
| 684 | A | A | -0.8612 | |
| 685 | T | A | -0.7920 | |
| 686 | D | A | -1.4401 | |
| 687 | P | A | -0.2285 | |
| 688 | F | A | 1.6192 | |
| 689 | A | A | 1.1292 | |
| 690 | S | A | 1.6065 | |
| 691 | V | A | 2.8190 | |
| 692 | F | A | 2.0030 | |
| 693 | G | A | -0.0076 | |
| 694 | N | A | -1.9935 | |
| 695 | E | A | -2.1195 | |
| 696 | S | A | -0.5341 | |
| 697 | F | A | 0.8796 | |
| 698 | G | A | -0.7039 | |
| 699 | D | A | -1.3980 | |
| 700 | G | A | -0.2961 | |
| 701 | F | A | 0.9623 | |
| 702 | A | A | 0.3307 | |
| 703 | D | A | -0.4870 | |
| 704 | F | A | 1.1849 | |
| 705 | S | A | 0.6899 | |
| 706 | T | A | 0.5912 | |
| 707 | L | A | 1.3324 | |
| 708 | S | A | 0.0217 | |
| 709 | K | A | -0.5862 | |
| 710 | V | A | 0.6896 | |
| 711 | S | A | -0.8141 | |
| 712 | N | A | -2.3675 | |
| 713 | E | A | -3.4052 | |
| 714 | D | A | -2.6992 | |
| 715 | P | A | -1.1566 | |
| 716 | F | A | 0.7342 | |
| 717 | N | A | -0.5176 | |
| 718 | P | A | -0.0153 | |
| 719 | T | A | 0.4614 | |
| 720 | I | A | 1.7740 | |
| 721 | S | A | 0.5904 | |
| 722 | S | A | 0.0187 | |
| 723 | S | A | -0.3757 | |
| 724 | A | A | -0.2352 | |
| 725 | S | A | 0.0438 | |
| 726 | S | A | 0.9822 | |
| 727 | V | A | 2.8628 | |
| 728 | V | A | 3.4772 | |
| 729 | I | A | 2.6505 | |
| 730 | P | A | 0.3539 | |
| 731 | K | A | -1.0963 | |
| 732 | P | A | 0.0043 | |
| 733 | V | A | 1.6062 | |
| 734 | L | A | 0.9345 | |
| 735 | E | A | -1.6315 | |
| 736 | E | A | -2.5178 | |
| 737 | T | A | -1.4559 | |
| 738 | P | A | -1.1362 | |
| 739 | S | A | -1.2895 | |
| 740 | K | A | -2.4024 | |
| 741 | S | A | -2.5308 | |
| 742 | E | A | -2.8963 | |
| 743 | D | A | -2.0011 | |
| 744 | V | A | 0.3882 | |
| 745 | P | A | 0.0999 | |
| 746 | P | A | 0.2813 | |
| 747 | A | A | 0.5508 | |
| 748 | L | A | 1.3297 | |
| 749 | P | A | 0.1476 | |
| 750 | P | A | -0.8627 | |
| 751 | K | A | -1.9930 | |
| 752 | T | A | -1.1721 | |
| 753 | G | A | -0.9064 | |
| 754 | T | A | -0.4628 | |
| 755 | P | A | -0.8015 | |
| 756 | T | A | -1.1305 | |
| 757 | R | A | -1.9154 | |
| 758 | P | A | -0.9484 | |
| 759 | C | A | 0.0611 | |
| 760 | P | A | -0.1322 | |
| 761 | P | A | -0.4778 | |
| 762 | P | A | -0.6813 | |
| 763 | P | A | -1.0546 | |
| 764 | G | A | -1.8965 | |
| 765 | K | A | -2.9334 | |
| 766 | R | A | -2.5447 | |
| 767 | P | A | -0.7731 | |
| 768 | I | A | 0.4788 | |
| 769 | N | A | -1.0785 | |
| 770 | K | A | -1.5346 | |
| 771 | L | A | -0.5437 | |
| 772 | D | A | -1.5268 | |
| 773 | S | A | -1.1904 | |
| 774 | S | A | -1.6026 | |
| 775 | D | A | -1.8116 | |
| 776 | P | A | -0.6927 | |
| 777 | F | A | 0.9084 | |
| 778 | K | A | -0.6975 | |
| 779 | L | A | 0.0992 | |
| 780 | N | A | -1.6691 | |
| 781 | D | A | -2.0964 | |
| 782 | P | A | -0.7205 | |
| 783 | F | A | 0.8016 | |
| 784 | Q | A | -0.2055 | |
| 785 | P | A | 0.5798 | |
| 786 | F | A | 1.4629 | |
| 787 | P | A | -0.0396 | |
| 788 | G | A | -1.3279 | |
| 789 | N | A | -2.4853 | |
| 790 | D | A | -2.6526 | |
| 791 | S | A | -1.8551 | |
| 792 | P | A | -1.9177 | |
| 793 | K | A | -3.0600 | |
| 794 | E | A | -3.8570 | |
| 795 | K | A | -3.8234 | |
| 796 | D | A | -3.4618 | |
| 797 | P | A | -2.4065 | |
| 798 | D | A | -1.3738 | |
| 799 | M | A | 1.1185 | |
| 800 | F | A | 2.0516 | |
| 801 | C | A | 1.0453 | |
| 802 | D | A | -0.6344 | |
| 803 | P | A | -0.0614 | |
| 804 | F | A | 1.3418 | |
| 805 | T | A | 0.3898 | |
| 806 | S | A | 0.0307 | |
| 807 | S | A | -0.2611 | |
| 808 | S | A | -0.4183 | |
| 809 | T | A | -0.2429 | |
| 810 | T | A | -0.3833 | |
| 811 | A | A | -0.9563 | |
| 812 | N | A | -2.5989 | |
| 813 | K | A | -3.6345 | |
| 814 | E | A | -3.5474 | |
| 815 | A | A | -2.1345 | |
| 816 | E | A | -2.8896 | |
| 817 | P | A | -1.4980 | |
| 818 | S | A | -0.9393 | |
| 819 | N | A | -0.9786 | |
| 820 | F | A | 1.1755 | |
| 821 | A | A | 0.5052 | |
| 822 | N | A | -0.1122 | |
| 823 | F | A | 1.4183 | |
| 824 | S | A | 0.3293 | |
| 825 | A | A | 0.2724 | |
| 826 | Y | A | -0.2192 | |
| 827 | P | A | -0.7038 | |
| 828 | S | A | -1.8337 | |
| 829 | E | A | -2.7826 | |
| 830 | E | A | -2.9778 | |
| 831 | D | A | -2.4315 | |
| 832 | M | A | -1.2946 | |
| 833 | I | A | -1.4357 | |
| 834 | E | A | -2.7532 | |
| 835 | W | A | -2.1233 | |
| 836 | A | A | -2.1664 | |
| 837 | K | A | -3.8208 | |
| 838 | R | A | -4.5521 | |
| 839 | E | A | -4.1430 | |
| 840 | S | A | -4.5955 | |
| 841 | E | A | -5.9171 | |
| 842 | R | A | -5.9877 | |
| 843 | E | A | -5.9355 | |
| 844 | E | A | -5.9604 | |
| 845 | E | A | -5.3626 | |
| 846 | Q | A | -4.9437 | |
| 847 | R | A | -4.6935 | |
| 848 | L | A | -2.9198 | |
| 849 | A | A | -3.2886 | |
| 850 | R | A | -4.0844 | |
| 851 | L | A | -3.0155 | |
| 852 | N | A | -3.9811 | |
| 853 | Q | A | -4.3700 | |
| 854 | Q | A | -4.6345 | |
| 855 | E | A | -4.6287 | |
| 856 | Q | A | -4.2347 | |
| 857 | E | A | -4.0766 | |
| 858 | D | A | -3.0808 | |
| 859 | L | A | -0.9402 | |
| 860 | E | A | -1.4057 | |
| 861 | L | A | 0.3722 | |
| 862 | A | A | 0.9385 | |
| 863 | I | A | 1.3807 | |
| 864 | A | A | 0.9595 | |
| 865 | L | A | 1.4529 | |
| 866 | S | A | 0.2500 | |
| 867 | K | A | -0.8225 | |
| 868 | S | A | -0.9392 | |
| 869 | E | A | -1.5976 | |
| 870 | I | A | 0.0314 | |
| 871 | S | A | -1.0617 | |
| 872 | E | A | -2.1720 | |
| 873 | A | A | -0.7139 |
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 | -0.2781 | 6.2219 | View | CSV | PDB |
| 4.5 | -0.4251 | 6.2097 | View | CSV | PDB |
| 5.0 | -0.6136 | 6.2097 | View | CSV | PDB |
| 5.5 | -0.8118 | 6.2097 | View | CSV | PDB |
| 6.0 | -0.9859 | 6.2097 | View | CSV | PDB |
| 6.5 | -1.1102 | 6.2097 | View | CSV | PDB |
| 7.0 | -1.1772 | 6.2097 | View | CSV | PDB |
| 7.5 | -1.2003 | 6.2097 | View | CSV | PDB |
| 8.0 | -1.1978 | 6.2097 | View | CSV | PDB |
| 8.5 | -1.1771 | 6.2097 | View | CSV | PDB |
| 9.0 | -1.1358 | 6.2097 | 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