| Chain sequence(s) | MYSGAGPALAPPAPPPPIQGYAFKPPPRPDFGTSGRTIKLQANFFEMDIPKIDIYHYELDIKPEKCPRRVNREIVEHMVQHFKTQIFGDRKPVFDGRKNLYTAMPLPIGRDKVELEVTLPGEGKDRIFKVSIKWVSCVSLQALHDALSGRLPSVPFETIQALDVVMRHLPSMRYTPVGRSFFTASEGCSNPLGGGREVWFGFHQSVRPSLWKMMLNIDVSATAFYKAQPVIEFVCEVLDFKSIEEQQKPLTDSQRVKFTKEIKGLKVEITHCGQMKRKYRVCNVTRRPASHQTFPLQQESGQTVECTVAQYFKDRHKLVLRYPHLPCLQVGQEQKHTYLPLEVCNIVAGQRCIKKLTDNQTSTMIRATARSAPDRQEEISKLMRSASFNTDPYVREFGIMVKDEMTDVTGRVLQPPSILYGGRNKAIATPVQGVWDMRNKQFHTGIEIKVWAIACFAPQRQCTEVHLKSFTEQLRKISRDAGMPIQGQPCFCKYAQGADSVEPMFRHLKNTYAGLQLVVVILPGKTPVYAEVKRVGDTVLGMATQCVQMKNVQRTTPQTLSNLCLKINVKLGGVNNILLPQGRPPVFQQPVIFLGADVTHPPAGDGKKPSIAAVVGSMDAHPNRYCATVRVQQHRQEIIQDLAAMVRELLIQFYKSTRFKPTRIIFYRDGVSEGQFQQVLHHELLAIREACIKLEKDYQPGITFIVVQKRHHTRLFCTDKNERVGKSGNIPAGTTVDTKITHPTEFDFYLCSHAGIQGTSRPSHYHVLWDDNRFSSDELQILTYQLCHTYVRCTRSVSIPAPAYYAHLVAFRARYHLVDKEHDSAEGSHTSGQSNGRDHQALAKAVQVHQDTLRTMYFA 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[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 globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:37:24)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d2df3f4deb2124/tmp/folded.pdb (00:37:24)
[INFO] Main: Simulation completed successfully. (00:57:31)
|
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 | 1.6518 | |
| 2 | Y | A | 1.6118 | |
| 3 | S | A | 0.3422 | |
| 4 | G | A | -0.3834 | |
| 5 | A | A | -0.4934 | |
| 6 | G | A | -0.4977 | |
| 7 | P | A | -0.0866 | |
| 8 | A | A | 0.5632 | |
| 9 | L | A | 1.3839 | |
| 10 | A | A | 0.6141 | |
| 11 | P | A | 0.0207 | |
| 12 | P | A | -0.2210 | |
| 13 | A | A | -0.3405 | |
| 14 | P | A | -0.5404 | |
| 15 | P | A | -0.2567 | |
| 16 | P | A | -0.2003 | |
| 17 | P | A | 0.0767 | |
| 18 | I | A | 1.2447 | |
| 19 | Q | A | -0.2541 | |
| 20 | G | A | 0.1780 | |
| 21 | Y | A | 0.8751 | |
| 22 | A | A | -0.2582 | |
| 23 | F | A | 0.0000 | |
| 24 | K | A | -1.7473 | |
| 25 | P | A | 0.0000 | |
| 26 | P | A | -1.0370 | |
| 27 | P | A | -0.9334 | |
| 28 | R | A | -0.6245 | |
| 29 | P | A | -0.9635 | |
| 30 | D | A | -0.5945 | |
| 31 | F | A | 0.6064 | |
| 32 | G | A | 0.0405 | |
| 33 | T | A | -0.2830 | |
| 34 | S | A | -0.6415 | |
| 35 | G | A | -1.2675 | |
| 36 | R | A | -1.5832 | |
| 37 | T | A | -1.0077 | |
| 38 | I | A | 0.0000 | |
| 39 | K | A | -1.7081 | |
| 40 | L | A | 0.0000 | |
| 41 | Q | A | -1.1681 | |
| 42 | A | A | 0.0000 | |
| 43 | N | A | 0.0000 | |
| 44 | F | A | 0.0000 | |
| 45 | F | A | 0.0000 | |
| 46 | E | A | -1.5507 | |
| 47 | M | A | 0.0000 | |
| 48 | D | A | -2.2612 | |
| 49 | I | A | 0.0000 | |
| 50 | P | A | -1.3258 | |
| 51 | K | A | -1.9679 | |
| 52 | I | A | -0.5112 | |
| 53 | D | A | -0.8349 | |
| 54 | I | A | 0.0000 | |
| 55 | Y | A | 0.3447 | |
| 56 | H | A | -0.3018 | |
| 57 | Y | A | 0.0000 | |
| 58 | E | A | -1.7765 | |
| 59 | L | A | 0.0000 | |
| 60 | D | A | -3.4235 | |
| 61 | I | A | 0.0000 | |
| 62 | K | A | -3.3037 | |
| 63 | P | A | -2.5884 | |
| 64 | E | A | -4.2472 | |
| 65 | K | A | -3.1166 | |
| 66 | C | A | -2.4327 | |
| 67 | P | A | -2.1447 | |
| 68 | R | A | -3.3002 | |
| 69 | R | A | -1.9513 | |
| 70 | V | A | -1.5816 | |
| 71 | N | A | 0.0000 | |
| 72 | R | A | 0.0000 | |
| 73 | E | A | -1.7504 | |
| 74 | I | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | E | A | -2.1206 | |
| 77 | H | A | -1.9364 | |
| 78 | M | A | 0.0000 | |
| 79 | V | A | -1.8903 | |
| 80 | Q | A | -2.2477 | |
| 81 | H | A | -2.0448 | |
| 82 | F | A | -1.5154 | |
| 83 | K | A | -2.0904 | |
| 84 | T | A | -1.4777 | |
| 85 | Q | A | -1.4991 | |
| 86 | I | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | G | A | -1.8459 | |
| 89 | D | A | -2.2436 | |
| 90 | R | A | -1.5222 | |
| 91 | K | A | -1.7156 | |
| 92 | P | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | F | A | 0.0000 | |
| 95 | D | A | -1.7043 | |
| 96 | G | A | 0.0000 | |
| 97 | R | A | -3.6633 | |
| 98 | K | A | -2.8907 | |
| 99 | N | A | -1.7080 | |
| 100 | L | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | M | A | 0.5451 | |
| 105 | P | A | 0.2270 | |
| 106 | L | A | 0.0000 | |
| 107 | P | A | -0.5937 | |
| 108 | I | A | -1.4805 | |
| 109 | G | A | -2.1609 | |
| 110 | R | A | -3.2950 | |
| 111 | D | A | -3.8640 | |
| 112 | K | A | -3.6247 | |
| 113 | V | A | -2.2262 | |
| 114 | E | A | -3.1368 | |
| 115 | L | A | 0.0000 | |
| 116 | E | A | -2.2808 | |
| 117 | V | A | 0.0000 | |
| 118 | T | A | -0.8724 | |
| 119 | L | A | 0.0000 | |
| 120 | P | A | -1.8221 | |
| 121 | G | A | -2.7138 | |
| 122 | E | A | -3.9250 | |
| 123 | G | A | -3.1165 | |
| 124 | K | A | -3.4302 | |
| 125 | D | A | -3.2418 | |
| 126 | R | A | -1.8098 | |
| 127 | I | A | -0.1444 | |
| 128 | F | A | 0.0000 | |
| 129 | K | A | -2.6110 | |
| 130 | V | A | 0.0000 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | K | A | -2.6841 | |
| 134 | W | A | -1.3328 | |
| 135 | V | A | 0.0038 | |
| 136 | S | A | -0.0116 | |
| 137 | C | A | 0.3493 | |
| 138 | V | A | 0.0000 | |
| 139 | S | A | -0.8195 | |
| 140 | L | A | 0.0000 | |
| 141 | Q | A | -1.1656 | |
| 142 | A | A | -0.7863 | |
| 143 | L | A | 0.0000 | |
| 144 | H | A | -1.1593 | |
| 145 | D | A | -1.1389 | |
| 146 | A | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | S | A | -0.9374 | |
| 149 | G | A | -1.4241 | |
| 150 | R | A | -2.1344 | |
| 151 | L | A | -0.9359 | |
| 152 | P | A | -0.8124 | |
| 153 | S | A | -0.4312 | |
| 154 | V | A | 0.3285 | |
| 155 | P | A | 0.3822 | |
| 156 | F | A | 1.0316 | |
| 157 | E | A | -0.9217 | |
| 158 | T | A | 0.0000 | |
| 159 | I | A | 0.1561 | |
| 160 | Q | A | -0.4586 | |
| 161 | A | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | D | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | M | A | 0.0000 | |
| 167 | R | A | 0.0000 | |
| 168 | H | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | P | A | 0.0000 | |
| 171 | S | A | 0.0000 | |
| 172 | M | A | -0.9716 | |
| 173 | R | A | -1.5472 | |
| 174 | Y | A | -0.4038 | |
| 175 | T | A | -0.4426 | |
| 176 | P | A | -0.8604 | |
| 177 | V | A | -0.5409 | |
| 178 | G | A | -1.0401 | |
| 179 | R | A | -1.5821 | |
| 180 | S | A | -0.7006 | |
| 181 | F | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | T | A | -0.3142 | |
| 184 | A | A | -0.3992 | |
| 185 | S | A | -0.8321 | |
| 186 | E | A | -1.9184 | |
| 187 | G | A | -1.1072 | |
| 188 | C | A | -0.3642 | |
| 189 | S | A | -0.5864 | |
| 190 | N | A | -0.3857 | |
| 191 | P | A | -0.5615 | |
| 192 | L | A | 0.0000 | |
| 193 | G | A | -0.9437 | |
| 194 | G | A | -0.9479 | |
| 195 | G | A | 0.0000 | |
| 196 | R | A | 0.0000 | |
| 197 | E | A | -0.6355 | |
| 198 | V | A | 0.0000 | |
| 199 | W | A | 0.0000 | |
| 200 | F | A | 0.4743 | |
| 201 | G | A | 0.3692 | |
| 202 | F | A | 0.0000 | |
| 203 | H | A | 0.0000 | |
| 204 | Q | A | 0.0000 | |
| 205 | S | A | -0.4948 | |
| 206 | V | A | 0.0000 | |
| 207 | R | A | -0.5105 | |
| 208 | P | A | 0.0794 | |
| 209 | S | A | 0.0000 | |
| 210 | L | A | 0.3752 | |
| 211 | W | A | 0.6488 | |
| 212 | K | A | -0.7994 | |
| 213 | M | A | 0.0000 | |
| 214 | M | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | N | A | 0.0000 | |
| 217 | I | A | 0.0000 | |
| 218 | D | A | 0.0000 | |
| 219 | V | A | 0.0588 | |
| 220 | S | A | 0.1906 | |
| 221 | A | A | 0.4783 | |
| 222 | T | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | F | A | 0.0000 | |
| 225 | Y | A | 0.0000 | |
| 226 | K | A | -0.7154 | |
| 227 | A | A | -0.2341 | |
| 228 | Q | A | -0.6050 | |
| 229 | P | A | -0.8190 | |
| 230 | V | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | E | A | -1.7372 | |
| 233 | F | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | C | A | -1.9991 | |
| 236 | E | A | -1.8263 | |
| 237 | V | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | D | A | -2.3032 | |
| 240 | F | A | -2.4109 | |
| 241 | K | A | -2.9082 | |
| 242 | S | A | -2.4711 | |
| 243 | I | A | 0.0000 | |
| 244 | E | A | -3.4692 | |
| 245 | E | A | -3.5903 | |
| 246 | Q | A | -2.8997 | |
| 247 | Q | A | -3.1070 | |
| 248 | K | A | -2.8674 | |
| 249 | P | A | -1.9814 | |
| 250 | L | A | 0.0000 | |
| 251 | T | A | -1.5702 | |
| 252 | D | A | -2.2683 | |
| 253 | S | A | -1.3092 | |
| 254 | Q | A | -1.3566 | |
| 255 | R | A | 0.0000 | |
| 256 | V | A | -1.2052 | |
| 257 | K | A | -2.1975 | |
| 258 | F | A | 0.0000 | |
| 259 | T | A | -1.8059 | |
| 260 | K | A | -2.7768 | |
| 261 | E | A | -1.9489 | |
| 262 | I | A | 0.0000 | |
| 263 | K | A | -2.8417 | |
| 264 | G | A | -1.9467 | |
| 265 | L | A | 0.0000 | |
| 266 | K | A | -2.0885 | |
| 267 | V | A | 0.0000 | |
| 268 | E | A | -2.1210 | |
| 269 | I | A | 0.0000 | |
| 270 | T | A | -0.9979 | |
| 271 | H | A | -0.9021 | |
| 272 | C | A | -0.8590 | |
| 273 | G | A | -1.2123 | |
| 274 | Q | A | -2.1314 | |
| 275 | M | A | -2.3340 | |
| 276 | K | A | -3.3488 | |
| 277 | R | A | -3.1741 | |
| 278 | K | A | -3.3053 | |
| 279 | Y | A | -2.2146 | |
| 280 | R | A | -2.9898 | |
| 281 | V | A | 0.0000 | |
| 282 | C | A | -2.2812 | |
| 283 | N | A | -2.3121 | |
| 284 | V | A | 0.0000 | |
| 285 | T | A | 0.0000 | |
| 286 | R | A | -3.0789 | |
| 287 | R | A | -3.0083 | |
| 288 | P | A | -1.9138 | |
| 289 | A | A | 0.0000 | |
| 290 | S | A | -1.0965 | |
| 291 | H | A | -1.9108 | |
| 292 | Q | A | -1.7711 | |
| 293 | T | A | -1.0840 | |
| 294 | F | A | -0.8120 | |
| 295 | P | A | -1.0308 | |
| 296 | L | A | -1.2812 | |
| 297 | Q | A | -2.4756 | |
| 298 | Q | A | -2.5694 | |
| 299 | E | A | -2.8716 | |
| 300 | S | A | -2.1245 | |
| 301 | G | A | -2.1956 | |
| 302 | Q | A | -2.4424 | |
| 303 | T | A | -1.7543 | |
| 304 | V | A | -1.0749 | |
| 305 | E | A | -1.7477 | |
| 306 | C | A | -1.0880 | |
| 307 | T | A | -0.9543 | |
| 308 | V | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | Q | A | -1.9366 | |
| 311 | Y | A | -1.6639 | |
| 312 | F | A | 0.0000 | |
| 313 | K | A | -2.6260 | |
| 314 | D | A | -3.6521 | |
| 315 | R | A | -3.6331 | |
| 316 | H | A | -2.5383 | |
| 317 | K | A | -2.8308 | |
| 318 | L | A | -1.1085 | |
| 319 | V | A | 0.3681 | |
| 320 | L | A | 0.0000 | |
| 321 | R | A | -1.3199 | |
| 322 | Y | A | -1.1696 | |
| 323 | P | A | -0.8916 | |
| 324 | H | A | -1.5153 | |
| 325 | L | A | 0.0000 | |
| 326 | P | A | 0.0000 | |
| 327 | C | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | Q | A | -1.7751 | |
| 330 | V | A | 0.0000 | |
| 331 | G | A | -2.6638 | |
| 332 | Q | A | -3.5198 | |
| 333 | E | A | -3.7786 | |
| 334 | Q | A | -3.3743 | |
| 335 | K | A | -3.3933 | |
| 336 | H | A | -2.0285 | |
| 337 | T | A | -1.2528 | |
| 338 | Y | A | -0.3125 | |
| 339 | L | A | 0.0000 | |
| 340 | P | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | E | A | -0.7186 | |
| 343 | V | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | N | A | -1.0725 | |
| 346 | I | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | A | A | -0.3729 | |
| 349 | G | A | -0.4878 | |
| 350 | Q | A | -0.6450 | |
| 351 | R | A | -0.8382 | |
| 352 | C | A | 0.0000 | |
| 353 | I | A | 0.8567 | |
| 354 | K | A | -0.7828 | |
| 355 | K | A | -1.5883 | |
| 356 | L | A | -1.0377 | |
| 357 | T | A | -1.6896 | |
| 358 | D | A | -2.5751 | |
| 359 | N | A | -1.9386 | |
| 360 | Q | A | 0.0000 | |
| 361 | T | A | -0.9388 | |
| 362 | S | A | -0.7624 | |
| 363 | T | A | -0.7230 | |
| 364 | M | A | 0.0396 | |
| 365 | I | A | 0.9219 | |
| 366 | R | A | -0.9707 | |
| 367 | A | A | -0.4203 | |
| 368 | T | A | 0.0120 | |
| 369 | A | A | -0.7111 | |
| 370 | R | A | -1.6933 | |
| 371 | S | A | -1.6029 | |
| 372 | A | A | 0.0000 | |
| 373 | P | A | -2.1303 | |
| 374 | D | A | -2.9914 | |
| 375 | R | A | -2.5104 | |
| 376 | Q | A | -2.4276 | |
| 377 | E | A | -3.6009 | |
| 378 | E | A | -3.3531 | |
| 379 | I | A | 0.0000 | |
| 380 | S | A | -3.0646 | |
| 381 | K | A | -3.4037 | |
| 382 | L | A | -1.7487 | |
| 383 | M | A | 0.0000 | |
| 384 | R | A | -2.7484 | |
| 385 | S | A | -1.3424 | |
| 386 | A | A | -0.9500 | |
| 387 | S | A | -1.0979 | |
| 388 | F | A | 0.0000 | |
| 389 | N | A | -1.3558 | |
| 390 | T | A | -0.8165 | |
| 391 | D | A | -1.0154 | |
| 392 | P | A | -1.2258 | |
| 393 | Y | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | R | A | -2.4544 | |
| 396 | E | A | -1.8663 | |
| 397 | F | A | 0.0000 | |
| 398 | G | A | -1.6176 | |
| 399 | I | A | 0.0000 | |
| 400 | M | A | -1.2242 | |
| 401 | V | A | 0.0000 | |
| 402 | K | A | -2.9008 | |
| 403 | D | A | -3.7155 | |
| 404 | E | A | -3.4937 | |
| 405 | M | A | 0.0000 | |
| 406 | T | A | 0.0000 | |
| 407 | D | A | -1.2554 | |
| 408 | V | A | 0.0000 | |
| 409 | T | A | -0.7317 | |
| 410 | G | A | 0.0000 | |
| 411 | R | A | -0.9436 | |
| 412 | V | A | -0.7291 | |
| 413 | L | A | 0.0000 | |
| 414 | Q | A | -1.2943 | |
| 415 | P | A | -0.3898 | |
| 416 | P | A | 0.0000 | |
| 417 | S | A | -0.1375 | |
| 418 | I | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | Y | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | G | A | -2.3801 | |
| 423 | R | A | -3.0430 | |
| 424 | N | A | -2.8179 | |
| 425 | K | A | -2.6758 | |
| 426 | A | A | -1.2923 | |
| 427 | I | A | 0.5644 | |
| 428 | A | A | 0.0000 | |
| 429 | T | A | 0.4367 | |
| 430 | P | A | 0.0000 | |
| 431 | V | A | 1.3326 | |
| 432 | Q | A | 0.0520 | |
| 433 | G | A | 0.0000 | |
| 434 | V | A | 0.3572 | |
| 435 | W | A | 0.0000 | |
| 436 | D | A | -1.4130 | |
| 437 | M | A | -1.8155 | |
| 438 | R | A | -2.7864 | |
| 439 | N | A | -2.6262 | |
| 440 | K | A | -2.3614 | |
| 441 | Q | A | -2.3950 | |
| 442 | F | A | 0.0000 | |
| 443 | H | A | -0.8627 | |
| 444 | T | A | -0.4509 | |
| 445 | G | A | -0.6926 | |
| 446 | I | A | -0.4251 | |
| 447 | E | A | -1.5024 | |
| 448 | I | A | 0.0000 | |
| 449 | K | A | -2.2033 | |
| 450 | V | A | -0.8202 | |
| 451 | W | A | 0.0000 | |
| 452 | A | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | C | A | 0.0000 | |
| 456 | F | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | P | A | -1.6700 | |
| 459 | Q | A | -2.8772 | |
| 460 | R | A | -3.0585 | |
| 461 | Q | A | -2.5854 | |
| 462 | C | A | 0.0000 | |
| 463 | T | A | -1.8327 | |
| 464 | E | A | -2.1509 | |
| 465 | V | A | 0.1448 | |
| 466 | H | A | -1.0973 | |
| 467 | L | A | 0.0000 | |
| 468 | K | A | -2.4114 | |
| 469 | S | A | -1.7928 | |
| 470 | F | A | 0.0000 | |
| 471 | T | A | -2.2034 | |
| 472 | E | A | -3.4361 | |
| 473 | Q | A | -2.5823 | |
| 474 | L | A | 0.0000 | |
| 475 | R | A | -3.2022 | |
| 476 | K | A | -3.3876 | |
| 477 | I | A | -2.3122 | |
| 478 | S | A | 0.0000 | |
| 479 | R | A | -3.1837 | |
| 480 | D | A | -2.7305 | |
| 481 | A | A | 0.0000 | |
| 482 | G | A | -1.5841 | |
| 483 | M | A | 0.0000 | |
| 484 | P | A | -2.1292 | |
| 485 | I | A | 0.0000 | |
| 486 | Q | A | -2.1743 | |
| 487 | G | A | -1.7250 | |
| 488 | Q | A | -2.0250 | |
| 489 | P | A | -0.5512 | |
| 490 | C | A | 0.1662 | |
| 491 | F | A | 0.1403 | |
| 492 | C | A | -0.3762 | |
| 493 | K | A | -1.5212 | |
| 494 | Y | A | -1.1840 | |
| 495 | A | A | -1.2777 | |
| 496 | Q | A | -1.5967 | |
| 497 | G | A | -1.4861 | |
| 498 | A | A | -1.3527 | |
| 499 | D | A | -2.2613 | |
| 500 | S | A | -1.4953 | |
| 501 | V | A | 0.0000 | |
| 502 | E | A | -1.3166 | |
| 503 | P | A | -1.2493 | |
| 504 | M | A | 0.0000 | |
| 505 | F | A | 0.0000 | |
| 506 | R | A | -2.1184 | |
| 507 | H | A | -1.9159 | |
| 508 | L | A | 0.0000 | |
| 509 | K | A | -2.2239 | |
| 510 | N | A | -2.2394 | |
| 511 | T | A | -1.1794 | |
| 512 | Y | A | -0.4318 | |
| 513 | A | A | -0.4619 | |
| 514 | G | A | -0.8099 | |
| 515 | L | A | -0.5212 | |
| 516 | Q | A | -0.5911 | |
| 517 | L | A | 0.0000 | |
| 518 | V | A | 0.0000 | |
| 519 | V | A | 0.0000 | |
| 520 | V | A | 0.0000 | |
| 521 | I | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | P | A | -1.2718 | |
| 524 | G | A | -1.6296 | |
| 525 | K | A | -1.9488 | |
| 526 | T | A | -0.9660 | |
| 527 | P | A | -0.5110 | |
| 528 | V | A | 0.0000 | |
| 529 | Y | A | 0.0628 | |
| 530 | A | A | 0.1292 | |
| 531 | E | A | -0.6552 | |
| 532 | V | A | 0.0000 | |
| 533 | K | A | 0.0000 | |
| 534 | R | A | -0.4561 | |
| 535 | V | A | 0.0000 | |
| 536 | G | A | 0.0000 | |
| 537 | D | A | 0.0000 | |
| 538 | T | A | -0.8905 | |
| 539 | V | A | -0.1772 | |
| 540 | L | A | 0.0000 | |
| 541 | G | A | -0.9905 | |
| 542 | M | A | -0.5002 | |
| 543 | A | A | -0.1438 | |
| 544 | T | A | 0.0000 | |
| 545 | Q | A | 0.0000 | |
| 546 | C | A | -0.0101 | |
| 547 | V | A | 0.0000 | |
| 548 | Q | A | -1.8741 | |
| 549 | M | A | -1.8529 | |
| 550 | K | A | -2.8482 | |
| 551 | N | A | -2.0806 | |
| 552 | V | A | 0.0000 | |
| 553 | Q | A | -1.9491 | |
| 554 | R | A | -2.5967 | |
| 555 | T | A | -1.7290 | |
| 556 | T | A | -1.1763 | |
| 557 | P | A | -1.2042 | |
| 558 | Q | A | -1.5668 | |
| 559 | T | A | -1.1885 | |
| 560 | L | A | 0.0000 | |
| 561 | S | A | -1.1758 | |
| 562 | N | A | -1.1883 | |
| 563 | L | A | 0.0000 | |
| 564 | C | A | 0.0000 | |
| 565 | L | A | 0.0000 | |
| 566 | K | A | -0.5128 | |
| 567 | I | A | 0.0000 | |
| 568 | N | A | 0.0000 | |
| 569 | V | A | 0.0000 | |
| 570 | K | A | 0.0000 | |
| 571 | L | A | -0.0154 | |
| 572 | G | A | -0.3645 | |
| 573 | G | A | 0.0000 | |
| 574 | V | A | 0.0000 | |
| 575 | N | A | 0.0000 | |
| 576 | N | A | -0.3487 | |
| 577 | I | A | 0.0000 | |
| 578 | L | A | 0.0000 | |
| 579 | L | A | -0.2493 | |
| 580 | P | A | -0.8196 | |
| 581 | Q | A | -1.5123 | |
| 582 | G | A | -1.2024 | |
| 583 | R | A | -1.0872 | |
| 584 | P | A | 0.0000 | |
| 585 | P | A | -1.0267 | |
| 586 | V | A | 0.0000 | |
| 587 | F | A | -1.0708 | |
| 588 | Q | A | -1.7304 | |
| 589 | Q | A | -1.6542 | |
| 590 | P | A | -0.8367 | |
| 591 | V | A | 0.0000 | |
| 592 | I | A | 0.0000 | |
| 593 | F | A | 0.0000 | |
| 594 | L | A | 0.0000 | |
| 595 | G | A | 0.0000 | |
| 596 | A | A | 0.0000 | |
| 597 | D | A | 0.0000 | |
| 598 | V | A | 0.0000 | |
| 599 | T | A | -0.2624 | |
| 600 | H | A | -1.0854 | |
| 601 | P | A | 0.0000 | |
| 602 | P | A | -0.7000 | |
| 603 | A | A | -0.3063 | |
| 604 | G | A | -0.8001 | |
| 605 | D | A | -1.6114 | |
| 606 | G | A | -1.8925 | |
| 607 | K | A | -2.6953 | |
| 608 | K | A | -2.1200 | |
| 609 | P | A | 0.0000 | |
| 610 | S | A | 0.0000 | |
| 611 | I | A | 0.0000 | |
| 612 | A | A | 0.0000 | |
| 613 | A | A | 0.0000 | |
| 614 | V | A | 0.0000 | |
| 615 | V | A | 0.0000 | |
| 616 | G | A | 0.0000 | |
| 617 | S | A | 0.0000 | |
| 618 | M | A | 0.0000 | |
| 619 | D | A | -0.2949 | |
| 620 | A | A | -0.2735 | |
| 621 | H | A | -0.3396 | |
| 622 | P | A | 0.0000 | |
| 623 | N | A | 0.0000 | |
| 624 | R | A | -0.5832 | |
| 625 | Y | A | 0.0000 | |
| 626 | C | A | 0.0000 | |
| 627 | A | A | -0.3212 | |
| 628 | T | A | 0.0000 | |
| 629 | V | A | 0.0000 | |
| 630 | R | A | -0.9840 | |
| 631 | V | A | 0.0000 | |
| 632 | Q | A | 0.0000 | |
| 633 | Q | A | -2.2701 | |
| 634 | H | A | -2.2303 | |
| 635 | R | A | -2.0979 | |
| 636 | Q | A | -1.4593 | |
| 637 | E | A | -1.0906 | |
| 638 | I | A | -0.9949 | |
| 639 | I | A | 0.0000 | |
| 640 | Q | A | -1.8780 | |
| 641 | D | A | -1.3699 | |
| 642 | L | A | 0.0000 | |
| 643 | A | A | -1.1813 | |
| 644 | A | A | -1.2067 | |
| 645 | M | A | 0.0000 | |
| 646 | V | A | 0.0000 | |
| 647 | R | A | -1.3808 | |
| 648 | E | A | -1.2740 | |
| 649 | L | A | 0.0000 | |
| 650 | L | A | 0.0000 | |
| 651 | I | A | -0.4882 | |
| 652 | Q | A | -1.2683 | |
| 653 | F | A | 0.0000 | |
| 654 | Y | A | -0.2858 | |
| 655 | K | A | -1.6712 | |
| 656 | S | A | -1.1512 | |
| 657 | T | A | -0.8083 | |
| 658 | R | A | -1.3692 | |
| 659 | F | A | 0.2915 | |
| 660 | K | A | -0.6915 | |
| 661 | P | A | 0.0000 | |
| 662 | T | A | -0.8257 | |
| 663 | R | A | -1.2084 | |
| 664 | I | A | 0.0000 | |
| 665 | I | A | 0.0000 | |
| 666 | F | A | 0.0000 | |
| 667 | Y | A | 0.0000 | |
| 668 | R | A | 0.0000 | |
| 669 | D | A | 0.0000 | |
| 670 | G | A | -0.7025 | |
| 671 | V | A | 0.0000 | |
| 672 | S | A | -1.2937 | |
| 673 | E | A | -1.7327 | |
| 674 | G | A | -1.3981 | |
| 675 | Q | A | -1.7228 | |
| 676 | F | A | 0.0000 | |
| 677 | Q | A | -2.1585 | |
| 678 | Q | A | -1.7826 | |
| 679 | V | A | 0.0000 | |
| 680 | L | A | 0.0000 | |
| 681 | H | A | -0.8797 | |
| 682 | H | A | -0.9742 | |
| 683 | E | A | 0.0000 | |
| 684 | L | A | 0.0000 | |
| 685 | L | A | 0.4144 | |
| 686 | A | A | -0.3670 | |
| 687 | I | A | 0.0000 | |
| 688 | R | A | -0.6014 | |
| 689 | E | A | -0.9227 | |
| 690 | A | A | 0.0000 | |
| 691 | C | A | 0.0000 | |
| 692 | I | A | -1.5242 | |
| 693 | K | A | -2.2319 | |
| 694 | L | A | -1.4477 | |
| 695 | E | A | -2.6774 | |
| 696 | K | A | -3.2195 | |
| 697 | D | A | -3.0661 | |
| 698 | Y | A | -2.3401 | |
| 699 | Q | A | -2.0690 | |
| 700 | P | A | 0.0000 | |
| 701 | G | A | -1.1722 | |
| 702 | I | A | 0.0000 | |
| 703 | T | A | 0.0000 | |
| 704 | F | A | 0.0000 | |
| 705 | I | A | 0.0000 | |
| 706 | V | A | 0.0000 | |
| 707 | V | A | 0.0000 | |
| 708 | Q | A | 0.0000 | |
| 709 | K | A | -1.5753 | |
| 710 | R | A | -2.3854 | |
| 711 | H | A | -1.5336 | |
| 712 | H | A | -1.0230 | |
| 713 | T | A | 0.0000 | |
| 714 | R | A | 0.0000 | |
| 715 | L | A | 0.0000 | |
| 716 | F | A | 0.0000 | |
| 717 | C | A | 0.0000 | |
| 718 | T | A | -2.1858 | |
| 719 | D | A | -3.5454 | |
| 720 | K | A | -3.5793 | |
| 721 | N | A | -3.1207 | |
| 722 | E | A | -2.6904 | |
| 723 | R | A | -2.7510 | |
| 724 | V | A | -1.0956 | |
| 725 | G | A | -1.2322 | |
| 726 | K | A | -1.8644 | |
| 727 | S | A | 0.0000 | |
| 728 | G | A | 0.0000 | |
| 729 | N | A | 0.0000 | |
| 730 | I | A | 0.0000 | |
| 731 | P | A | 0.0000 | |
| 732 | A | A | 0.0000 | |
| 733 | G | A | 0.0000 | |
| 734 | T | A | 0.0000 | |
| 735 | T | A | 0.0000 | |
| 736 | V | A | 0.0000 | |
| 737 | D | A | 0.0000 | |
| 738 | T | A | 0.2289 | |
| 739 | K | A | -0.1633 | |
| 740 | I | A | 0.0000 | |
| 741 | T | A | 0.0000 | |
| 742 | H | A | -0.1512 | |
| 743 | P | A | -0.1893 | |
| 744 | T | A | -0.6567 | |
| 745 | E | A | -0.7981 | |
| 746 | F | A | 0.0000 | |
| 747 | D | A | 0.0000 | |
| 748 | F | A | 0.0000 | |
| 749 | Y | A | 0.0000 | |
| 750 | L | A | 0.0000 | |
| 751 | C | A | 0.0000 | |
| 752 | S | A | 0.0000 | |
| 753 | H | A | -0.3049 | |
| 754 | A | A | 0.2748 | |
| 755 | G | A | -0.1199 | |
| 756 | I | A | 1.0284 | |
| 757 | Q | A | -0.7467 | |
| 758 | G | A | -0.8682 | |
| 759 | T | A | -0.8166 | |
| 760 | S | A | 0.0000 | |
| 761 | R | A | -1.8400 | |
| 762 | P | A | 0.0000 | |
| 763 | S | A | 0.0000 | |
| 764 | H | A | 0.0000 | |
| 765 | Y | A | 0.0000 | |
| 766 | H | A | 0.0000 | |
| 767 | V | A | 0.0000 | |
| 768 | L | A | 0.0000 | |
| 769 | W | A | -0.5979 | |
| 770 | D | A | 0.0000 | |
| 771 | D | A | -1.5292 | |
| 772 | N | A | -1.5525 | |
| 773 | R | A | -2.2500 | |
| 774 | F | A | 0.0000 | |
| 775 | S | A | -0.8300 | |
| 776 | S | A | 0.0000 | |
| 777 | D | A | -0.4098 | |
| 778 | E | A | -0.7083 | |
| 779 | L | A | 0.0000 | |
| 780 | Q | A | 0.0000 | |
| 781 | I | A | -0.1576 | |
| 782 | L | A | 0.0000 | |
| 783 | T | A | 0.0000 | |
| 784 | Y | A | 0.0000 | |
| 785 | Q | A | 0.0000 | |
| 786 | L | A | 0.0000 | |
| 787 | C | A | 0.0000 | |
| 788 | H | A | 0.0000 | |
| 789 | T | A | 0.0000 | |
| 790 | Y | A | 0.0000 | |
| 791 | V | A | 0.0000 | |
| 792 | R | A | -0.8641 | |
| 793 | C | A | -0.6640 | |
| 794 | T | A | 0.0000 | |
| 795 | R | A | -0.7844 | |
| 796 | S | A | 0.0000 | |
| 797 | V | A | 0.0000 | |
| 798 | S | A | -0.4539 | |
| 799 | I | A | 0.0000 | |
| 800 | P | A | 0.0000 | |
| 801 | A | A | 0.0000 | |
| 802 | P | A | 0.0000 | |
| 803 | A | A | 0.0000 | |
| 804 | Y | A | 0.3530 | |
| 805 | Y | A | 0.0000 | |
| 806 | A | A | 0.0000 | |
| 807 | H | A | 0.2879 | |
| 808 | L | A | 0.5079 | |
| 809 | V | A | 0.0000 | |
| 810 | A | A | 0.0000 | |
| 811 | F | A | 1.0312 | |
| 812 | R | A | 0.0000 | |
| 813 | A | A | 0.0000 | |
| 814 | R | A | 0.6098 | |
| 815 | Y | A | 0.7744 | |
| 816 | H | A | 0.0000 | |
| 817 | L | A | 0.0000 | |
| 818 | V | A | -0.2026 | |
| 819 | D | A | -2.5259 | |
| 820 | K | A | -2.7081 | |
| 821 | E | A | -2.5990 | |
| 822 | H | A | -3.1204 | |
| 823 | D | A | -3.6319 | |
| 824 | S | A | -2.5855 | |
| 825 | A | A | -2.0350 | |
| 826 | E | A | -2.7970 | |
| 827 | G | A | -1.9969 | |
| 828 | S | A | -1.3698 | |
| 829 | H | A | -1.5873 | |
| 830 | T | A | -1.0830 | |
| 831 | S | A | -1.0799 | |
| 832 | G | A | -1.4905 | |
| 833 | Q | A | -2.2620 | |
| 834 | S | A | -2.5148 | |
| 835 | N | A | -2.9582 | |
| 836 | G | A | -2.9504 | |
| 837 | R | A | -3.4911 | |
| 838 | D | A | -2.8213 | |
| 839 | H | A | -2.9442 | |
| 840 | Q | A | -2.9646 | |
| 841 | A | A | -2.1773 | |
| 842 | L | A | -1.8183 | |
| 843 | A | A | -1.9010 | |
| 844 | K | A | -2.4091 | |
| 845 | A | A | -1.3603 | |
| 846 | V | A | 0.0000 | |
| 847 | Q | A | -1.6796 | |
| 848 | V | A | 0.0000 | |
| 849 | H | A | -1.6257 | |
| 850 | Q | A | -2.4022 | |
| 851 | D | A | -2.7246 | |
| 852 | T | A | 0.0000 | |
| 853 | L | A | -1.5013 | |
| 854 | R | A | -2.3762 | |
| 855 | T | A | -1.2468 | |
| 856 | M | A | 0.0000 | |
| 857 | Y | A | 0.0000 | |
| 858 | F | A | 0.0000 | |
| 859 | A | A | 0.0000 |
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 | -0.8913 | 4.813 | View | CSV | PDB |
| 4.5 | -0.9372 | 4.813 | View | CSV | PDB |
| 5.0 | -0.9906 | 4.813 | View | CSV | PDB |
| 5.5 | -1.0391 | 4.813 | View | CSV | PDB |
| 6.0 | -1.0709 | 4.813 | View | CSV | PDB |
| 6.5 | -1.0782 | 4.813 | View | CSV | PDB |
| 7.0 | -1.0624 | 4.813 | View | CSV | PDB |
| 7.5 | -1.0314 | 4.813 | View | CSV | PDB |
| 8.0 | -0.992 | 4.813 | View | CSV | PDB |
| 8.5 | -0.9461 | 4.813 | View | CSV | PDB |
| 9.0 | -0.8931 | 4.813 | 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