| Chain sequence(s) | MKLLWQVTVHHTWNAVLLPVVYLTAQVWILCAAIAAAASAGPQNCPSVCSCSNQFSKVVCTRRGLSEVPQGIPSNTRYLNLMENNIQMIQADTFRHLHHLEVLQLGRNAIRQIEVGAFNGLASLNTLELFDNWLTVIPSGAFEYLSKLRELWLRNNPIESIPSYAFNRVPSLMRLDLGELKKLEYISEGAFEGLFNLKYLNLGMCNIKDMPNLTPLVGLEELEMSGNHFPEIRPGSFHGLSSLKKLWVMNSQVSLIERNAFDGLASLVELNLAHNNLSSLPHDLFTPLRYLVELHLHHNPWNCDCDILWLAWWLREYIPTNSTCCGRCHAPMHMRGRYLVEVDQASFQCSAPFIMDAPRDLNISEDRMAELKCRTPPMSSVKWLLPNGTVLSHASRHPRISVLNDGTLNFSRVLLIDTGVYTCMVTNVAGNSNASAYLNVSSAELNTPNFSFFTTVTVETTEISPEDITRKYKPVPTTSTGYQPAYTTSTTVLIQTTRVPKQVPVPSTDTTDKMQTSLDEVMKTTKIIIGCFVAVTLLAAAMLIVFYKLRKRHQQRSTVTAARTVEIIQVDEDIPAAASAAATAAPSGVSGEGAVVLPTIHDHINYNTYKPAHGAHWTENSLGNSLHPTVTTISEPYIIQTHTKDKVQETQI 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 partially or entirely disordered. Average 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 (00:22:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/89ab1425b9e3a0/tmp/folded.pdb (00:22:38)
[INFO] Main: Simulation completed successfully. (00:36:13)
|
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 | 1.3587 | |
| 2 | K | A | 0.3338 | |
| 3 | L | A | 2.2118 | |
| 4 | L | A | 2.8164 | |
| 5 | W | A | 2.1428 | |
| 6 | Q | A | 0.9088 | |
| 7 | V | A | 1.2947 | |
| 8 | T | A | 0.8529 | |
| 9 | V | A | 0.2687 | |
| 10 | H | A | -0.6642 | |
| 11 | H | A | -0.9907 | |
| 12 | T | A | 0.1342 | |
| 13 | W | A | 1.0770 | |
| 14 | N | A | 0.2267 | |
| 15 | A | A | 1.0283 | |
| 16 | V | A | 2.7758 | |
| 17 | L | A | 3.7237 | |
| 18 | L | A | 3.7210 | |
| 19 | P | A | 3.0879 | |
| 20 | V | A | 3.7907 | |
| 21 | V | A | 4.1161 | |
| 22 | Y | A | 3.6424 | |
| 23 | L | A | 3.5700 | |
| 24 | T | A | 2.7826 | |
| 25 | A | A | 2.4017 | |
| 26 | Q | A | 1.9749 | |
| 27 | V | A | 3.0447 | |
| 28 | W | A | 3.3020 | |
| 29 | I | A | 3.2704 | |
| 30 | L | A | 3.3477 | |
| 31 | C | A | 3.0873 | |
| 32 | A | A | 2.3797 | |
| 33 | A | A | 2.4634 | |
| 34 | I | A | 3.0279 | |
| 35 | A | A | 1.6034 | |
| 36 | A | A | 0.9407 | |
| 37 | A | A | 0.8258 | |
| 38 | A | A | 0.5322 | |
| 39 | S | A | -0.0837 | |
| 40 | A | A | -0.3806 | |
| 41 | G | A | -0.9707 | |
| 42 | P | A | -1.2421 | |
| 43 | Q | A | -1.9404 | |
| 44 | N | A | -1.8013 | |
| 45 | C | A | -0.7401 | |
| 46 | P | A | -0.6013 | |
| 47 | S | A | -0.2220 | |
| 48 | V | A | -0.0098 | |
| 49 | C | A | -0.0071 | |
| 50 | S | A | 0.0940 | |
| 51 | C | A | -0.5243 | |
| 52 | S | A | -1.0866 | |
| 53 | N | A | -2.0789 | |
| 54 | Q | A | -1.8958 | |
| 55 | F | A | -1.3162 | |
| 56 | S | A | -1.7225 | |
| 57 | K | A | -1.4334 | |
| 58 | V | A | 0.0000 | |
| 59 | V | A | -0.0103 | |
| 60 | C | A | 0.0000 | |
| 61 | T | A | -1.4710 | |
| 62 | R | A | -2.9567 | |
| 63 | R | A | -2.5738 | |
| 64 | G | A | -2.2150 | |
| 65 | L | A | -1.8195 | |
| 66 | S | A | -1.7340 | |
| 67 | E | A | -2.2654 | |
| 68 | V | A | -1.2080 | |
| 69 | P | A | -0.9849 | |
| 70 | Q | A | -1.5727 | |
| 71 | G | A | -1.4744 | |
| 72 | I | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | S | A | -1.4572 | |
| 75 | N | A | -1.6908 | |
| 76 | T | A | 0.0000 | |
| 77 | R | A | -2.2850 | |
| 78 | Y | A | -0.8666 | |
| 79 | L | A | 0.0000 | |
| 80 | N | A | -0.0201 | |
| 81 | L | A | 0.0000 | |
| 82 | M | A | -1.3056 | |
| 83 | E | A | -2.2127 | |
| 84 | N | A | 0.0000 | |
| 85 | N | A | -2.3738 | |
| 86 | I | A | 0.0000 | |
| 87 | Q | A | -1.3627 | |
| 88 | M | A | -0.8624 | |
| 89 | I | A | 0.0000 | |
| 90 | Q | A | -0.8644 | |
| 91 | A | A | -0.6335 | |
| 92 | D | A | -1.5425 | |
| 93 | T | A | -1.5587 | |
| 94 | F | A | 0.0000 | |
| 95 | R | A | -2.7247 | |
| 96 | H | A | -2.0960 | |
| 97 | L | A | 0.0000 | |
| 98 | H | A | -2.3840 | |
| 99 | H | A | -2.0702 | |
| 100 | L | A | 0.0000 | |
| 101 | E | A | -1.9688 | |
| 102 | V | A | -0.8412 | |
| 103 | L | A | 0.0000 | |
| 104 | Q | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | R | A | -1.9869 | |
| 108 | N | A | 0.0000 | |
| 109 | A | A | -0.9594 | |
| 110 | I | A | 0.0000 | |
| 111 | R | A | -0.5987 | |
| 112 | Q | A | -0.8746 | |
| 113 | I | A | -0.4580 | |
| 114 | E | A | -0.5969 | |
| 115 | V | A | 0.7795 | |
| 116 | G | A | -0.1120 | |
| 117 | A | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | N | A | -1.1298 | |
| 120 | G | A | -1.5758 | |
| 121 | L | A | 0.0000 | |
| 122 | A | A | -1.0718 | |
| 123 | S | A | -1.5663 | |
| 124 | L | A | 0.0000 | |
| 125 | N | A | -1.5705 | |
| 126 | T | A | -0.9972 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -0.3699 | |
| 129 | L | A | 0.0000 | |
| 130 | F | A | -0.5621 | |
| 131 | D | A | -1.0560 | |
| 132 | N | A | 0.0000 | |
| 133 | W | A | 0.5488 | |
| 134 | L | A | 0.0000 | |
| 135 | T | A | 0.1517 | |
| 136 | V | A | 1.2524 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | 0.3547 | |
| 139 | S | A | 0.0177 | |
| 140 | G | A | -0.0009 | |
| 141 | A | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | E | A | -0.2637 | |
| 144 | Y | A | 0.3375 | |
| 145 | L | A | 0.0000 | |
| 146 | S | A | -1.0585 | |
| 147 | K | A | -2.0349 | |
| 148 | L | A | 0.0000 | |
| 149 | R | A | -2.0012 | |
| 150 | E | A | -1.1723 | |
| 151 | L | A | 0.0000 | |
| 152 | W | A | -0.2714 | |
| 153 | L | A | 0.0000 | |
| 154 | R | A | -0.8949 | |
| 155 | N | A | -1.3295 | |
| 156 | N | A | 0.0000 | |
| 157 | P | A | -1.0133 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -1.9020 | |
| 160 | S | A | -0.5506 | |
| 161 | I | A | 0.0000 | |
| 162 | P | A | 0.1533 | |
| 163 | S | A | -0.1827 | |
| 164 | Y | A | 0.3613 | |
| 165 | A | A | 0.0000 | |
| 166 | F | A | 0.0000 | |
| 167 | N | A | -0.7650 | |
| 168 | R | A | -1.5785 | |
| 169 | V | A | 0.0000 | |
| 170 | P | A | -0.7832 | |
| 171 | S | A | -1.1165 | |
| 172 | L | A | 0.0000 | |
| 173 | M | A | -0.7626 | |
| 174 | R | A | -1.1033 | |
| 175 | L | A | 0.0000 | |
| 176 | D | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | E | A | -1.3908 | |
| 180 | L | A | 0.0000 | |
| 181 | K | A | -3.2823 | |
| 182 | K | A | -3.4221 | |
| 183 | L | A | -2.3064 | |
| 184 | E | A | -2.4016 | |
| 185 | Y | A | -0.3292 | |
| 186 | I | A | -0.4469 | |
| 187 | S | A | 0.0000 | |
| 188 | E | A | -1.8723 | |
| 189 | G | A | -0.9782 | |
| 190 | A | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | E | A | -0.4469 | |
| 193 | G | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | F | A | 1.7229 | |
| 196 | N | A | 0.0297 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -0.7052 | |
| 199 | Y | A | -0.7711 | |
| 200 | L | A | 0.0000 | |
| 201 | N | A | -0.3313 | |
| 202 | L | A | 0.0000 | |
| 203 | G | A | 0.0000 | |
| 204 | M | A | -0.7887 | |
| 205 | C | A | 0.0000 | |
| 206 | N | A | -2.8086 | |
| 207 | I | A | 0.0000 | |
| 208 | K | A | -3.1938 | |
| 209 | D | A | -3.0156 | |
| 210 | M | A | -1.5367 | |
| 211 | P | A | -1.1730 | |
| 212 | N | A | -1.6297 | |
| 213 | L | A | 0.0000 | |
| 214 | T | A | -0.3719 | |
| 215 | P | A | 0.2745 | |
| 216 | L | A | 0.0000 | |
| 217 | V | A | 1.7583 | |
| 218 | G | A | 0.7217 | |
| 219 | L | A | 0.0000 | |
| 220 | E | A | -0.8833 | |
| 221 | E | A | -1.1562 | |
| 222 | L | A | 0.0000 | |
| 223 | E | A | -0.2988 | |
| 224 | M | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | G | A | -0.9047 | |
| 227 | N | A | 0.0000 | |
| 228 | H | A | -2.2761 | |
| 229 | F | A | 0.0000 | |
| 230 | P | A | -1.8285 | |
| 231 | E | A | -2.5358 | |
| 232 | I | A | 0.0000 | |
| 233 | R | A | -2.3324 | |
| 234 | P | A | -1.6796 | |
| 235 | G | A | -1.6323 | |
| 236 | S | A | -1.5157 | |
| 237 | F | A | 0.0000 | |
| 238 | H | A | -1.1655 | |
| 239 | G | A | -0.3271 | |
| 240 | L | A | 0.0000 | |
| 241 | S | A | -0.3762 | |
| 242 | S | A | -0.3401 | |
| 243 | L | A | 0.0000 | |
| 244 | K | A | -0.9884 | |
| 245 | K | A | -1.1995 | |
| 246 | L | A | 0.0000 | |
| 247 | W | A | -0.2544 | |
| 248 | V | A | 0.0000 | |
| 249 | M | A | -0.7653 | |
| 250 | N | A | -1.9094 | |
| 251 | S | A | 0.0000 | |
| 252 | Q | A | -1.9158 | |
| 253 | V | A | 0.0000 | |
| 254 | S | A | -1.1028 | |
| 255 | L | A | -0.7876 | |
| 256 | I | A | 0.0000 | |
| 257 | E | A | 0.0000 | |
| 258 | R | A | 0.0000 | |
| 259 | N | A | -1.0850 | |
| 260 | A | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | D | A | -1.0136 | |
| 263 | G | A | -1.0521 | |
| 264 | L | A | 0.0000 | |
| 265 | A | A | -0.5175 | |
| 266 | S | A | -0.4107 | |
| 267 | L | A | 0.0000 | |
| 268 | V | A | 0.4304 | |
| 269 | E | A | -0.2346 | |
| 270 | L | A | 0.0000 | |
| 271 | N | A | -0.6532 | |
| 272 | L | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | H | A | -2.0472 | |
| 275 | N | A | 0.0000 | |
| 276 | N | A | -2.0154 | |
| 277 | L | A | 0.0000 | |
| 278 | S | A | -0.7123 | |
| 279 | S | A | -0.4832 | |
| 280 | L | A | 0.0000 | |
| 281 | P | A | 0.0000 | |
| 282 | H | A | -0.5246 | |
| 283 | D | A | -0.7947 | |
| 284 | L | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | T | A | -0.8378 | |
| 287 | P | A | -0.8049 | |
| 288 | L | A | 0.0000 | |
| 289 | R | A | -0.7736 | |
| 290 | Y | A | 0.9438 | |
| 291 | L | A | 0.0000 | |
| 292 | V | A | 1.6787 | |
| 293 | E | A | -0.1225 | |
| 294 | L | A | 0.0000 | |
| 295 | H | A | -0.7860 | |
| 296 | L | A | 0.0000 | |
| 297 | H | A | -1.2939 | |
| 298 | H | A | -2.1726 | |
| 299 | N | A | 0.0000 | |
| 300 | P | A | -1.6539 | |
| 301 | W | A | 0.0000 | |
| 302 | N | A | -1.2061 | |
| 303 | C | A | 0.0000 | |
| 304 | D | A | -0.9047 | |
| 305 | C | A | -0.5058 | |
| 306 | D | A | -0.6081 | |
| 307 | I | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | W | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | W | A | -0.2588 | |
| 313 | W | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | R | A | -1.3441 | |
| 316 | E | A | -1.4914 | |
| 317 | Y | A | 0.4006 | |
| 318 | I | A | 0.0000 | |
| 319 | P | A | -0.7407 | |
| 320 | T | A | -0.9993 | |
| 321 | N | A | -1.4466 | |
| 322 | S | A | -1.0191 | |
| 323 | T | A | -0.4295 | |
| 324 | C | A | 0.0000 | |
| 325 | C | A | 0.0000 | |
| 326 | G | A | -1.5211 | |
| 327 | R | A | -2.9706 | |
| 328 | C | A | 0.0000 | |
| 329 | H | A | -2.1905 | |
| 330 | A | A | -1.4059 | |
| 331 | P | A | -0.6824 | |
| 332 | M | A | -0.2525 | |
| 333 | H | A | -1.2740 | |
| 334 | M | A | -1.9228 | |
| 335 | R | A | -2.7980 | |
| 336 | G | A | -2.4963 | |
| 337 | R | A | -2.7939 | |
| 338 | Y | A | -1.3323 | |
| 339 | L | A | 0.0000 | |
| 340 | V | A | -0.8069 | |
| 341 | E | A | -1.6600 | |
| 342 | V | A | 0.0000 | |
| 343 | D | A | -1.7862 | |
| 344 | Q | A | -1.2912 | |
| 345 | A | A | -0.8540 | |
| 346 | S | A | -0.8919 | |
| 347 | F | A | -0.8405 | |
| 348 | Q | A | -1.1478 | |
| 349 | C | A | -0.4724 | |
| 350 | S | A | -0.0518 | |
| 351 | A | A | 0.1643 | |
| 352 | P | A | 0.0000 | |
| 353 | F | A | 1.5687 | |
| 354 | I | A | 0.5164 | |
| 355 | M | A | 0.2469 | |
| 356 | D | A | -1.4622 | |
| 357 | A | A | -1.2642 | |
| 358 | P | A | 0.0000 | |
| 359 | R | A | -3.1987 | |
| 360 | D | A | -2.4567 | |
| 361 | L | A | -1.9618 | |
| 362 | N | A | -1.8596 | |
| 363 | I | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | E | A | -2.0240 | |
| 366 | D | A | -2.7411 | |
| 367 | R | A | -1.9175 | |
| 368 | M | A | -0.8840 | |
| 369 | A | A | 0.0000 | |
| 370 | E | A | -2.1727 | |
| 371 | L | A | 0.0000 | |
| 372 | K | A | -2.5725 | |
| 373 | C | A | 0.0000 | |
| 374 | R | A | -2.1700 | |
| 375 | T | A | 0.0000 | |
| 376 | P | A | -0.1113 | |
| 377 | P | A | -0.7945 | |
| 378 | M | A | -0.3590 | |
| 379 | S | A | 0.0000 | |
| 380 | S | A | -0.6038 | |
| 381 | V | A | 0.0000 | |
| 382 | K | A | -0.5596 | |
| 383 | W | A | 0.0000 | |
| 384 | L | A | 0.7516 | |
| 385 | L | A | 0.0000 | |
| 386 | P | A | 0.2156 | |
| 387 | N | A | -0.9056 | |
| 388 | G | A | -0.6858 | |
| 389 | T | A | 0.1025 | |
| 390 | V | A | 1.0105 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | -0.4445 | |
| 393 | H | A | -1.0441 | |
| 394 | A | A | -1.2568 | |
| 395 | S | A | -1.2446 | |
| 396 | R | A | -2.2289 | |
| 397 | H | A | -1.4609 | |
| 398 | P | A | -1.2005 | |
| 399 | R | A | -1.0651 | |
| 400 | I | A | 0.0000 | |
| 401 | S | A | -0.9463 | |
| 402 | V | A | 0.0000 | |
| 403 | L | A | -0.3505 | |
| 404 | N | A | -1.0281 | |
| 405 | D | A | -1.5478 | |
| 406 | G | A | 0.0000 | |
| 407 | T | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | N | A | -1.1831 | |
| 410 | F | A | 0.0000 | |
| 411 | S | A | -1.3629 | |
| 412 | R | A | -2.2244 | |
| 413 | V | A | 0.0000 | |
| 414 | L | A | 0.1500 | |
| 415 | L | A | 1.2823 | |
| 416 | I | A | 2.1699 | |
| 417 | D | A | 0.0000 | |
| 418 | T | A | 1.0342 | |
| 419 | G | A | 0.9095 | |
| 420 | V | A | 1.5958 | |
| 421 | Y | A | 0.0000 | |
| 422 | T | A | 0.3730 | |
| 423 | C | A | 0.0000 | |
| 424 | M | A | -0.6402 | |
| 425 | V | A | 0.0000 | |
| 426 | T | A | -0.6698 | |
| 427 | N | A | -0.2175 | |
| 428 | V | A | 0.1916 | |
| 429 | A | A | -0.2544 | |
| 430 | G | A | -0.6065 | |
| 431 | N | A | -1.3301 | |
| 432 | S | A | -0.8018 | |
| 433 | N | A | -1.3737 | |
| 434 | A | A | -0.9467 | |
| 435 | S | A | -0.3845 | |
| 436 | A | A | 0.0000 | |
| 437 | Y | A | 0.1106 | |
| 438 | L | A | 0.0000 | |
| 439 | N | A | -0.5184 | |
| 440 | V | A | 0.0000 | |
| 441 | S | A | -0.9533 | |
| 442 | S | A | -0.8937 | |
| 443 | A | A | -1.1440 | |
| 444 | E | A | -2.1580 | |
| 445 | L | A | -1.5514 | |
| 446 | N | A | -1.8179 | |
| 447 | T | A | -1.1260 | |
| 448 | P | A | -0.7594 | |
| 449 | N | A | -0.3555 | |
| 450 | F | A | 1.7721 | |
| 451 | S | A | 1.9379 | |
| 452 | F | A | 3.0198 | |
| 453 | F | A | 3.2137 | |
| 454 | T | A | 1.8078 | |
| 455 | T | A | 1.7153 | |
| 456 | V | A | 2.1991 | |
| 457 | T | A | 1.0730 | |
| 458 | V | A | 1.3198 | |
| 459 | E | A | -1.0184 | |
| 460 | T | A | -0.7297 | |
| 461 | T | A | -0.7385 | |
| 462 | E | A | -1.2154 | |
| 463 | I | A | 0.6671 | |
| 464 | S | A | -0.6024 | |
| 465 | P | A | -1.0293 | |
| 466 | E | A | -2.1438 | |
| 467 | D | A | -2.0482 | |
| 468 | I | A | 0.1036 | |
| 469 | T | A | -1.0378 | |
| 470 | R | A | -2.2403 | |
| 471 | K | A | -2.1074 | |
| 472 | Y | A | -0.8410 | |
| 473 | K | A | -1.1481 | |
| 474 | P | A | 0.0110 | |
| 475 | V | A | 1.1679 | |
| 476 | P | A | 0.4855 | |
| 477 | T | A | 0.0425 | |
| 478 | T | A | -0.2847 | |
| 479 | S | A | -0.4051 | |
| 480 | T | A | -0.1745 | |
| 481 | G | A | -0.1765 | |
| 482 | Y | A | 0.4536 | |
| 483 | Q | A | -0.6430 | |
| 484 | P | A | -0.3164 | |
| 485 | A | A | 0.3326 | |
| 486 | Y | A | 1.1113 | |
| 487 | T | A | 0.5548 | |
| 488 | T | A | 0.0732 | |
| 489 | S | A | -0.1234 | |
| 490 | T | A | 0.4183 | |
| 491 | T | A | 1.3162 | |
| 492 | V | A | 2.8363 | |
| 493 | L | A | 3.0163 | |
| 494 | I | A | 2.6177 | |
| 495 | Q | A | 0.3713 | |
| 496 | T | A | -0.4448 | |
| 497 | T | A | -0.6369 | |
| 498 | R | A | -1.0978 | |
| 499 | V | A | 0.3661 | |
| 500 | P | A | -0.9335 | |
| 501 | K | A | -1.6590 | |
| 502 | Q | A | -1.2915 | |
| 503 | V | A | 1.1256 | |
| 504 | P | A | 1.1184 | |
| 505 | V | A | 1.8599 | |
| 506 | P | A | 0.5098 | |
| 507 | S | A | -0.3577 | |
| 508 | T | A | -1.2087 | |
| 509 | D | A | -2.4067 | |
| 510 | T | A | -1.6842 | |
| 511 | T | A | -1.8481 | |
| 512 | D | A | -2.9962 | |
| 513 | K | A | -2.7181 | |
| 514 | M | A | -1.1986 | |
| 515 | Q | A | -2.1103 | |
| 516 | T | A | -1.7014 | |
| 517 | S | A | -1.1325 | |
| 518 | L | A | -0.1796 | |
| 519 | D | A | -1.9941 | |
| 520 | E | A | -2.2621 | |
| 521 | V | A | 0.4060 | |
| 522 | M | A | -0.2883 | |
| 523 | K | A | -1.5250 | |
| 524 | T | A | 0.1450 | |
| 525 | T | A | 0.5440 | |
| 526 | K | A | 0.1402 | |
| 527 | I | A | 2.7713 | |
| 528 | I | A | 3.6559 | |
| 529 | I | A | 3.3002 | |
| 530 | G | A | 2.6760 | |
| 531 | C | A | 3.8359 | |
| 532 | F | A | 4.7022 | |
| 533 | V | A | 3.9552 | |
| 534 | A | A | 3.4513 | |
| 535 | V | A | 4.0481 | |
| 536 | T | A | 3.0337 | |
| 537 | L | A | 3.6248 | |
| 538 | L | A | 3.7180 | |
| 539 | A | A | 2.5633 | |
| 540 | A | A | 2.5848 | |
| 541 | A | A | 2.9217 | |
| 542 | M | A | 2.8996 | |
| 543 | L | A | 3.5609 | |
| 544 | I | A | 3.6869 | |
| 545 | V | A | 2.8616 | |
| 546 | F | A | 2.9651 | |
| 547 | Y | A | 1.7910 | |
| 548 | K | A | -0.2680 | |
| 549 | L | A | -0.3680 | |
| 550 | R | A | -2.6594 | |
| 551 | K | A | -3.8135 | |
| 552 | R | A | -3.8504 | |
| 553 | H | A | -3.9317 | |
| 554 | Q | A | -3.9136 | |
| 555 | Q | A | -3.5518 | |
| 556 | R | A | -3.3093 | |
| 557 | S | A | -1.8633 | |
| 558 | T | A | -1.0851 | |
| 559 | V | A | -0.0229 | |
| 560 | T | A | -0.4415 | |
| 561 | A | A | -0.2741 | |
| 562 | A | A | -0.2711 | |
| 563 | R | A | -1.1264 | |
| 564 | T | A | -0.0762 | |
| 565 | V | A | 1.1867 | |
| 566 | E | A | -0.0517 | |
| 567 | I | A | 2.3376 | |
| 568 | I | A | 2.3962 | |
| 569 | Q | A | 0.2012 | |
| 570 | V | A | 0.4692 | |
| 571 | D | A | -2.3549 | |
| 572 | E | A | -2.8363 | |
| 573 | D | A | -2.0339 | |
| 574 | I | A | 0.6688 | |
| 575 | P | A | 0.2128 | |
| 576 | A | A | 0.1917 | |
| 577 | A | A | 0.0204 | |
| 578 | A | A | 0.0079 | |
| 579 | S | A | -0.1274 | |
| 580 | A | A | -0.0098 | |
| 581 | A | A | 0.0538 | |
| 582 | A | A | 0.0736 | |
| 583 | T | A | 0.0138 | |
| 584 | A | A | 0.0165 | |
| 585 | A | A | -0.0847 | |
| 586 | P | A | -0.4107 | |
| 587 | S | A | -0.1846 | |
| 588 | G | A | 0.2056 | |
| 589 | V | A | 1.3024 | |
| 590 | S | A | -0.1251 | |
| 591 | G | A | -1.1946 | |
| 592 | E | A | -2.1165 | |
| 593 | G | A | -0.8186 | |
| 594 | A | A | 0.9106 | |
| 595 | V | A | 2.7260 | |
| 596 | V | A | 3.2706 | |
| 597 | L | A | 2.7174 | |
| 598 | P | A | 1.5482 | |
| 599 | T | A | 0.8523 | |
| 600 | I | A | 1.0736 | |
| 601 | H | A | -0.9022 | |
| 602 | D | A | -1.9478 | |
| 603 | H | A | -1.4128 | |
| 604 | I | A | 0.6306 | |
| 605 | N | A | -0.3226 | |
| 606 | Y | A | 0.5204 | |
| 607 | N | A | -0.6436 | |
| 608 | T | A | -0.0939 | |
| 609 | Y | A | 0.1525 | |
| 610 | K | A | -1.2051 | |
| 611 | P | A | -1.1000 | |
| 612 | A | A | -1.1124 | |
| 613 | H | A | -1.3775 | |
| 614 | G | A | -1.2507 | |
| 615 | A | A | -0.6022 | |
| 616 | H | A | -0.6102 | |
| 617 | W | A | 0.1741 | |
| 618 | T | A | -0.9176 | |
| 619 | E | A | -2.1552 | |
| 620 | N | A | -1.9278 | |
| 621 | S | A | -0.8414 | |
| 622 | L | A | 0.4142 | |
| 623 | G | A | -0.4323 | |
| 624 | N | A | -0.9525 | |
| 625 | S | A | -0.2854 | |
| 626 | L | A | 0.6336 | |
| 627 | H | A | -0.2449 | |
| 628 | P | A | -0.1278 | |
| 629 | T | A | 0.5343 | |
| 630 | V | A | 1.7413 | |
| 631 | T | A | 1.1927 | |
| 632 | T | A | 1.0464 | |
| 633 | I | A | 1.5879 | |
| 634 | S | A | -0.0395 | |
| 635 | E | A | -0.9822 | |
| 636 | P | A | 0.4279 | |
| 637 | Y | A | 2.0986 | |
| 638 | I | A | 2.9853 | |
| 639 | I | A | 2.6007 | |
| 640 | Q | A | 0.1964 | |
| 641 | T | A | -0.5464 | |
| 642 | H | A | -1.6649 | |
| 643 | T | A | -1.8999 | |
| 644 | K | A | -3.1090 | |
| 645 | D | A | -3.3857 | |
| 646 | K | A | -2.6418 | |
| 647 | V | A | -0.7247 | |
| 648 | Q | A | -2.0358 | |
| 649 | E | A | -2.2769 | |
| 650 | T | A | -1.1335 | |
| 651 | Q | A | -0.8506 | |
| 652 | I | A | 1.2727 |
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 | -0.0495 | 8.0821 | View | CSV | PDB |
| 4.5 | -0.0979 | 8.0835 | View | CSV | PDB |
| 5.0 | -0.1557 | 8.0878 | View | CSV | PDB |
| 5.5 | -0.2096 | 8.0992 | View | CSV | PDB |
| 6.0 | -0.2481 | 8.1234 | View | CSV | PDB |
| 6.5 | -0.266 | 8.1614 | View | CSV | PDB |
| 7.0 | -0.266 | 8.2081 | View | CSV | PDB |
| 7.5 | -0.2551 | 8.2586 | View | CSV | PDB |
| 8.0 | -0.2384 | 8.3103 | View | CSV | PDB |
| 8.5 | -0.2169 | 8.3622 | View | CSV | PDB |
| 9.0 | -0.1893 | 8.4135 | 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