| Chain sequence(s) | MAGLGPGGGDSEGGPRPLFCRKGALRQKVVHEVKSHKFTARFFKQPTFCSHCTDFIWGIGKQGLQCQVCSFVVHRRCHEFVTFECPGAGKGPQTDDPRNKHKFRLHSYSSPTFCDHCGSLLYGLVHQGMKCSCCEMNVHRRCVRSVPSLCGVDHTERRGRLQLEIRAPTSDEIHITVGEARNLIPMDPNGLSDPYVKLKLIPDPRNLTKQKTKTVKATLNPVWNETFVFNLKPGDVERRLSVEVWDWDRTSRNDFMGAMSFGVSELLKAPVDGWYKLLNQEEGEYYNVPVADADNCSLLQKFEACNYPLELYERVRMGPSSSPIPSPSPSPTDSKRCFFGASPGRLHISDFSFLMVLGKGSFGKVMLAERRGSDELYAIKILKKDVIVQDDDVDCTLVEKRVLALGGRGPGGRPHFLTQLHSTFQTPDRLYFVMEYVTGGDLMYHIQQLGKFKEPHAAFYAAEIAIGLFFLHNQGIIYRDLKLDNVMLDAEGHIKITDFGMCKENVFPGSTTRTFCGTPDYIAPEIIAYQPYGKSVDWWSFGVLLYEMLAGQPPFDGEDEEELFQAIMEQTVTYPKSLSREAVAICKGFLTKHPGKRLGSGPDGEPTIRAHGFFRWIDWERLERLEIAPPFRPRPCGRSGENFDKFFTRAAPALTPPDRLVLASIDQADFQGFTYVNPDFVHPDARSPTSPVPVPVM 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:46)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/bd1d66a95f24e8/tmp/folded.pdb (00:19:46)
[INFO] Main: Simulation completed successfully. (00:32:51)
|
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 | 0.9741 | |
| 2 | A | A | 0.5917 | |
| 3 | G | A | 0.4259 | |
| 4 | L | A | 0.9977 | |
| 5 | G | A | -0.1320 | |
| 6 | P | A | -0.5714 | |
| 7 | G | A | -0.8920 | |
| 8 | G | A | -1.4442 | |
| 9 | G | A | -1.7498 | |
| 10 | D | A | -2.6934 | |
| 11 | S | A | -2.3669 | |
| 12 | E | A | -2.6936 | |
| 13 | G | A | -2.0943 | |
| 14 | G | A | -1.7212 | |
| 15 | P | A | -1.4991 | |
| 16 | R | A | -1.6558 | |
| 17 | P | A | 0.0911 | |
| 18 | L | A | 1.8266 | |
| 19 | F | A | 1.9793 | |
| 20 | C | A | 0.5372 | |
| 21 | R | A | -1.6588 | |
| 22 | K | A | -2.1266 | |
| 23 | G | A | -1.4597 | |
| 24 | A | A | -0.9202 | |
| 25 | L | A | -0.1419 | |
| 26 | R | A | -1.7721 | |
| 27 | Q | A | -1.6741 | |
| 28 | K | A | -1.0282 | |
| 29 | V | A | 0.5269 | |
| 30 | V | A | -0.1672 | |
| 31 | H | A | -1.2885 | |
| 32 | E | A | -2.4581 | |
| 33 | V | A | -2.2608 | |
| 34 | K | A | -2.6755 | |
| 35 | S | A | -2.1955 | |
| 36 | H | A | 0.0000 | |
| 37 | K | A | -1.3838 | |
| 38 | F | A | 0.0000 | |
| 39 | T | A | 0.0000 | |
| 40 | A | A | -0.9791 | |
| 41 | R | A | -1.3704 | |
| 42 | F | A | 0.2699 | |
| 43 | F | A | 0.0000 | |
| 44 | K | A | -1.8450 | |
| 45 | Q | A | -1.0500 | |
| 46 | P | A | -0.1761 | |
| 47 | T | A | 0.0000 | |
| 48 | F | A | 0.4954 | |
| 49 | C | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | H | A | 0.0000 | |
| 52 | C | A | -1.1637 | |
| 53 | T | A | -0.8927 | |
| 54 | D | A | -0.8499 | |
| 55 | F | A | 0.7582 | |
| 56 | I | A | 0.0000 | |
| 57 | W | A | 1.5253 | |
| 58 | G | A | 1.2642 | |
| 59 | I | A | 1.8815 | |
| 60 | G | A | 0.1692 | |
| 61 | K | A | -0.8757 | |
| 62 | Q | A | -0.3921 | |
| 63 | G | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | Q | A | -0.7817 | |
| 66 | C | A | 0.0000 | |
| 67 | Q | A | -0.7455 | |
| 68 | V | A | 0.2349 | |
| 69 | C | A | 0.0000 | |
| 70 | S | A | -0.2084 | |
| 71 | F | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | H | A | -1.5877 | |
| 75 | R | A | -3.1861 | |
| 76 | R | A | -2.8156 | |
| 77 | C | A | 0.0000 | |
| 78 | H | A | -2.3098 | |
| 79 | E | A | -2.8106 | |
| 80 | F | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | T | A | -1.3333 | |
| 83 | F | A | 0.0000 | |
| 84 | E | A | -2.9529 | |
| 85 | C | A | 0.0000 | |
| 86 | P | A | -1.7335 | |
| 87 | G | A | -1.2654 | |
| 88 | A | A | -1.3378 | |
| 89 | G | A | -1.8787 | |
| 90 | K | A | -2.5665 | |
| 91 | G | A | -2.2551 | |
| 92 | P | A | -1.9817 | |
| 93 | Q | A | -2.6647 | |
| 94 | T | A | -2.2039 | |
| 95 | D | A | -3.0316 | |
| 96 | D | A | -2.5590 | |
| 97 | P | A | -2.2319 | |
| 98 | R | A | -2.9287 | |
| 99 | N | A | -2.3209 | |
| 100 | K | A | -2.9853 | |
| 101 | H | A | 0.0000 | |
| 102 | K | A | -2.3984 | |
| 103 | F | A | -1.7320 | |
| 104 | R | A | -2.1501 | |
| 105 | L | A | -0.5778 | |
| 106 | H | A | -0.3858 | |
| 107 | S | A | 0.2848 | |
| 108 | Y | A | 0.3423 | |
| 109 | S | A | 0.1345 | |
| 110 | S | A | -0.1908 | |
| 111 | P | A | 0.0758 | |
| 112 | T | A | 0.0914 | |
| 113 | F | A | 0.3732 | |
| 114 | C | A | 0.0000 | |
| 115 | D | A | -0.7178 | |
| 116 | H | A | 0.0000 | |
| 117 | C | A | -0.0577 | |
| 118 | G | A | 0.0000 | |
| 119 | S | A | 0.2463 | |
| 120 | L | A | 0.5285 | |
| 121 | L | A | 0.0000 | |
| 122 | Y | A | 1.5969 | |
| 123 | G | A | 1.2685 | |
| 124 | L | A | 2.1850 | |
| 125 | V | A | 2.1935 | |
| 126 | H | A | 0.2153 | |
| 127 | Q | A | 0.5243 | |
| 128 | G | A | 0.0000 | |
| 129 | M | A | -1.5178 | |
| 130 | K | A | -1.3466 | |
| 131 | C | A | 0.0000 | |
| 132 | S | A | -1.0443 | |
| 133 | C | A | -0.6267 | |
| 134 | C | A | -0.4657 | |
| 135 | E | A | -1.1818 | |
| 136 | M | A | -0.7220 | |
| 137 | N | A | -0.8769 | |
| 138 | V | A | 0.0000 | |
| 139 | H | A | -1.6459 | |
| 140 | R | A | -3.1540 | |
| 141 | R | A | -3.0990 | |
| 142 | C | A | 0.0000 | |
| 143 | V | A | -1.9161 | |
| 144 | R | A | -2.5363 | |
| 145 | S | A | -1.1490 | |
| 146 | V | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | S | A | -1.6231 | |
| 149 | L | A | -0.4871 | |
| 150 | C | A | 0.0000 | |
| 151 | G | A | -0.5808 | |
| 152 | V | A | 0.5594 | |
| 153 | D | A | -0.4009 | |
| 154 | H | A | -0.3190 | |
| 155 | T | A | -0.6176 | |
| 156 | E | A | 0.0000 | |
| 157 | R | A | -2.1226 | |
| 158 | R | A | -1.4496 | |
| 159 | G | A | 0.0000 | |
| 160 | R | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | Q | A | -1.3032 | |
| 163 | L | A | 0.0000 | |
| 164 | E | A | -2.3919 | |
| 165 | I | A | 0.0000 | |
| 166 | R | A | -2.1881 | |
| 167 | A | A | -1.3760 | |
| 168 | P | A | -1.0230 | |
| 169 | T | A | -1.2197 | |
| 170 | S | A | -1.3954 | |
| 171 | D | A | -2.7285 | |
| 172 | E | A | -2.0100 | |
| 173 | I | A | 0.0000 | |
| 174 | H | A | -0.5803 | |
| 175 | I | A | 0.0000 | |
| 176 | T | A | -1.2587 | |
| 177 | V | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | E | A | -0.7066 | |
| 180 | A | A | 0.0000 | |
| 181 | R | A | -1.0946 | |
| 182 | N | A | -1.3908 | |
| 183 | L | A | 0.0000 | |
| 184 | I | A | -0.4939 | |
| 185 | P | A | -0.3378 | |
| 186 | M | A | -0.4593 | |
| 187 | D | A | -1.2400 | |
| 188 | P | A | -1.1737 | |
| 189 | N | A | -1.5927 | |
| 190 | G | A | -0.7641 | |
| 191 | L | A | -0.7570 | |
| 192 | S | A | 0.0000 | |
| 193 | D | A | -0.9698 | |
| 194 | P | A | 0.0000 | |
| 195 | Y | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | K | A | -1.4729 | |
| 198 | L | A | 0.0000 | |
| 199 | K | A | -1.0418 | |
| 200 | L | A | 0.0000 | |
| 201 | I | A | -0.6030 | |
| 202 | P | A | -0.8590 | |
| 203 | D | A | 0.0000 | |
| 204 | P | A | -1.1773 | |
| 205 | R | A | -2.0864 | |
| 206 | N | A | -1.6035 | |
| 207 | L | A | 0.0240 | |
| 208 | T | A | -0.7214 | |
| 209 | K | A | -1.8615 | |
| 210 | Q | A | -1.4620 | |
| 211 | K | A | -2.4490 | |
| 212 | T | A | 0.0000 | |
| 213 | K | A | -2.0613 | |
| 214 | T | A | -1.0180 | |
| 215 | V | A | -0.6695 | |
| 216 | K | A | -1.6490 | |
| 217 | A | A | -1.1622 | |
| 218 | T | A | -0.6354 | |
| 219 | L | A | 0.0000 | |
| 220 | N | A | -0.9033 | |
| 221 | P | A | 0.0000 | |
| 222 | V | A | 0.6211 | |
| 223 | W | A | 0.0000 | |
| 224 | N | A | -1.2400 | |
| 225 | E | A | -1.3017 | |
| 226 | T | A | -0.3544 | |
| 227 | F | A | 0.4210 | |
| 228 | V | A | 0.7918 | |
| 229 | F | A | 0.0000 | |
| 230 | N | A | -2.0696 | |
| 231 | L | A | 0.0000 | |
| 232 | K | A | -2.5279 | |
| 233 | P | A | -1.5880 | |
| 234 | G | A | -1.3269 | |
| 235 | D | A | 0.0000 | |
| 236 | V | A | -0.8548 | |
| 237 | E | A | -2.0286 | |
| 238 | R | A | -1.0001 | |
| 239 | R | A | -0.6681 | |
| 240 | L | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | E | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | W | A | -0.1216 | |
| 246 | D | A | 0.0000 | |
| 247 | W | A | -0.9968 | |
| 248 | D | A | -2.0199 | |
| 249 | R | A | -2.3648 | |
| 250 | T | A | -1.5349 | |
| 251 | S | A | -1.9725 | |
| 252 | R | A | -2.6845 | |
| 253 | N | A | -1.9087 | |
| 254 | D | A | -1.6012 | |
| 255 | F | A | -0.6453 | |
| 256 | M | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | M | A | 0.0000 | |
| 260 | S | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | -0.7293 | |
| 265 | E | A | -0.8756 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | -1.0533 | |
| 268 | K | A | -1.9746 | |
| 269 | A | A | -1.3453 | |
| 270 | P | A | -1.6774 | |
| 271 | V | A | -1.6259 | |
| 272 | D | A | -2.7139 | |
| 273 | G | A | -1.7358 | |
| 274 | W | A | -1.2746 | |
| 275 | Y | A | 0.0000 | |
| 276 | K | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | N | A | -1.7501 | |
| 280 | Q | A | -1.8374 | |
| 281 | E | A | -1.9654 | |
| 282 | E | A | -1.2479 | |
| 283 | G | A | 0.0000 | |
| 284 | E | A | -1.0587 | |
| 285 | Y | A | -0.3443 | |
| 286 | Y | A | -0.1341 | |
| 287 | N | A | -0.1234 | |
| 288 | V | A | 0.0707 | |
| 289 | P | A | -0.4922 | |
| 290 | V | A | 0.0000 | |
| 291 | A | A | -0.8659 | |
| 292 | D | A | -2.0833 | |
| 293 | A | A | -1.8204 | |
| 294 | D | A | -2.4246 | |
| 295 | N | A | -2.0741 | |
| 296 | C | A | -0.6752 | |
| 297 | S | A | -0.7330 | |
| 298 | L | A | -0.7549 | |
| 299 | L | A | -0.5114 | |
| 300 | Q | A | -1.5378 | |
| 301 | K | A | -1.1139 | |
| 302 | F | A | -0.4604 | |
| 303 | E | A | -1.9909 | |
| 304 | A | A | -1.0025 | |
| 305 | C | A | -0.6037 | |
| 306 | N | A | -1.2469 | |
| 307 | Y | A | 0.3147 | |
| 308 | P | A | 0.1561 | |
| 309 | L | A | 0.7262 | |
| 310 | E | A | -0.9260 | |
| 311 | L | A | 0.6635 | |
| 312 | Y | A | 0.5293 | |
| 313 | E | A | -1.4108 | |
| 314 | R | A | -1.4770 | |
| 315 | V | A | 0.1266 | |
| 316 | R | A | -1.4778 | |
| 317 | M | A | -0.3845 | |
| 318 | G | A | -0.8243 | |
| 319 | P | A | -0.6642 | |
| 320 | S | A | -0.4499 | |
| 321 | S | A | -0.6208 | |
| 322 | S | A | -0.1165 | |
| 323 | P | A | 0.4378 | |
| 324 | I | A | 1.6387 | |
| 325 | P | A | 0.5984 | |
| 326 | S | A | -0.1531 | |
| 327 | P | A | -0.4026 | |
| 328 | S | A | -0.5867 | |
| 329 | P | A | -0.6026 | |
| 330 | S | A | -0.5485 | |
| 331 | P | A | -0.8447 | |
| 332 | T | A | -1.4024 | |
| 333 | D | A | -2.3739 | |
| 334 | S | A | -2.2865 | |
| 335 | K | A | -2.9755 | |
| 336 | R | A | -1.9067 | |
| 337 | C | A | 0.5415 | |
| 338 | F | A | 2.7354 | |
| 339 | F | A | 2.7918 | |
| 340 | G | A | 0.9992 | |
| 341 | A | A | 0.0071 | |
| 342 | S | A | -0.6094 | |
| 343 | P | A | -0.9878 | |
| 344 | G | A | -1.1014 | |
| 345 | R | A | -1.6075 | |
| 346 | L | A | -0.8693 | |
| 347 | H | A | -1.0385 | |
| 348 | I | A | -0.2055 | |
| 349 | S | A | -0.7844 | |
| 350 | D | A | -1.6221 | |
| 351 | F | A | 0.0000 | |
| 352 | S | A | -0.6656 | |
| 353 | F | A | 0.2362 | |
| 354 | L | A | 0.1737 | |
| 355 | M | A | -0.1433 | |
| 356 | V | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | -0.7722 | |
| 359 | K | A | -1.7686 | |
| 360 | G | A | -1.3847 | |
| 361 | S | A | -0.7707 | |
| 362 | F | A | -0.3833 | |
| 363 | G | A | -0.5633 | |
| 364 | K | A | -0.8519 | |
| 365 | V | A | -0.3070 | |
| 366 | M | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | E | A | -2.0715 | |
| 370 | R | A | -2.5592 | |
| 371 | R | A | -3.1106 | |
| 372 | G | A | -2.1671 | |
| 373 | S | A | -2.1762 | |
| 374 | D | A | -3.1394 | |
| 375 | E | A | -2.4385 | |
| 376 | L | A | -1.5866 | |
| 377 | Y | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | I | A | 0.0000 | |
| 380 | K | A | -0.4659 | |
| 381 | I | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | K | A | -0.1575 | |
| 384 | K | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | V | A | -0.6184 | |
| 387 | I | A | 0.0000 | |
| 388 | V | A | -1.7580 | |
| 389 | Q | A | -2.1500 | |
| 390 | D | A | -2.9650 | |
| 391 | D | A | -3.1336 | |
| 392 | D | A | -2.0430 | |
| 393 | V | A | -1.7508 | |
| 394 | D | A | -2.1595 | |
| 395 | C | A | -1.0535 | |
| 396 | T | A | 0.0000 | |
| 397 | L | A | -1.0498 | |
| 398 | V | A | -0.7987 | |
| 399 | E | A | 0.0000 | |
| 400 | K | A | -0.7633 | |
| 401 | R | A | -1.1267 | |
| 402 | V | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | -0.4733 | |
| 405 | L | A | -0.6087 | |
| 406 | G | A | -1.3424 | |
| 407 | G | A | -1.8798 | |
| 408 | R | A | -2.7065 | |
| 409 | G | A | -1.9284 | |
| 410 | P | A | -1.6602 | |
| 411 | G | A | -1.3115 | |
| 412 | G | A | -1.5826 | |
| 413 | R | A | -1.1688 | |
| 414 | P | A | -1.1786 | |
| 415 | H | A | -0.6075 | |
| 416 | F | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | T | A | 0.0000 | |
| 419 | Q | A | -0.3360 | |
| 420 | L | A | 0.0000 | |
| 421 | H | A | 0.0878 | |
| 422 | S | A | 0.0000 | |
| 423 | T | A | 0.0000 | |
| 424 | F | A | 0.0000 | |
| 425 | Q | A | -0.4158 | |
| 426 | T | A | -0.4240 | |
| 427 | P | A | -0.6600 | |
| 428 | D | A | -0.7245 | |
| 429 | R | A | 0.0000 | |
| 430 | L | A | 0.0000 | |
| 431 | Y | A | 0.0000 | |
| 432 | F | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | M | A | 0.0000 | |
| 435 | E | A | 0.0000 | |
| 436 | Y | A | 0.0000 | |
| 437 | V | A | 0.0000 | |
| 438 | T | A | -0.9065 | |
| 439 | G | A | 0.0000 | |
| 440 | G | A | 0.0000 | |
| 441 | D | A | -0.4840 | |
| 442 | L | A | 0.0000 | |
| 443 | M | A | -0.3761 | |
| 444 | Y | A | -0.1298 | |
| 445 | H | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | Q | A | -1.3761 | |
| 448 | Q | A | -1.0302 | |
| 449 | L | A | 0.1760 | |
| 450 | G | A | -0.9147 | |
| 451 | K | A | -1.3306 | |
| 452 | F | A | 0.0000 | |
| 453 | K | A | -1.0462 | |
| 454 | E | A | -0.9868 | |
| 455 | P | A | 0.0000 | |
| 456 | H | A | -0.4288 | |
| 457 | A | A | 0.0000 | |
| 458 | A | A | 0.0000 | |
| 459 | F | A | 0.0000 | |
| 460 | Y | A | 0.0000 | |
| 461 | A | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | E | A | 0.0000 | |
| 464 | I | A | 0.0000 | |
| 465 | A | A | 0.0000 | |
| 466 | I | A | 0.0000 | |
| 467 | G | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | F | A | 0.0000 | |
| 470 | F | A | -0.5592 | |
| 471 | L | A | 0.0000 | |
| 472 | H | A | 0.0000 | |
| 473 | N | A | -1.4453 | |
| 474 | Q | A | -1.2176 | |
| 475 | G | A | 0.0000 | |
| 476 | I | A | 0.0000 | |
| 477 | I | A | 0.0000 | |
| 478 | Y | A | 0.0000 | |
| 479 | R | A | 0.0000 | |
| 480 | D | A | -0.6068 | |
| 481 | L | A | 0.0000 | |
| 482 | K | A | -0.9184 | |
| 483 | L | A | 0.0000 | |
| 484 | D | A | -1.7005 | |
| 485 | N | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | M | A | -0.2532 | |
| 488 | L | A | 0.0000 | |
| 489 | D | A | -0.7979 | |
| 490 | A | A | -1.3605 | |
| 491 | E | A | -1.9784 | |
| 492 | G | A | 0.0000 | |
| 493 | H | A | 0.0000 | |
| 494 | I | A | 0.0000 | |
| 495 | K | A | 0.0000 | |
| 496 | I | A | 0.0000 | |
| 497 | T | A | -0.8516 | |
| 498 | D | A | -1.4061 | |
| 499 | F | A | 0.0000 | |
| 500 | G | A | -0.5525 | |
| 501 | M | A | -0.0815 | |
| 502 | C | A | 0.0000 | |
| 503 | K | A | -1.2492 | |
| 504 | E | A | -1.2285 | |
| 505 | N | A | -1.3301 | |
| 506 | V | A | 0.0000 | |
| 507 | F | A | 0.2834 | |
| 508 | P | A | -0.1620 | |
| 509 | G | A | -0.3021 | |
| 510 | S | A | -0.3347 | |
| 511 | T | A | -0.9046 | |
| 512 | T | A | -1.1696 | |
| 513 | R | A | -1.5629 | |
| 514 | T | A | -0.4696 | |
| 515 | F | A | 0.6998 | |
| 516 | C | A | 0.2485 | |
| 517 | G | A | -0.0969 | |
| 518 | T | A | -0.4050 | |
| 519 | P | A | -1.1155 | |
| 520 | D | A | -1.3210 | |
| 521 | Y | A | 0.0000 | |
| 522 | I | A | 0.0000 | |
| 523 | A | A | 0.0000 | |
| 524 | P | A | 0.0000 | |
| 525 | E | A | 0.0000 | |
| 526 | I | A | 0.0000 | |
| 527 | I | A | 0.6663 | |
| 528 | A | A | 0.5073 | |
| 529 | Y | A | 0.7221 | |
| 530 | Q | A | -0.5262 | |
| 531 | P | A | -0.9677 | |
| 532 | Y | A | 0.0000 | |
| 533 | G | A | -0.5501 | |
| 534 | K | A | -0.5355 | |
| 535 | S | A | 0.0000 | |
| 536 | V | A | 0.0000 | |
| 537 | D | A | 0.0000 | |
| 538 | W | A | 0.0000 | |
| 539 | W | A | 0.0000 | |
| 540 | S | A | 0.0000 | |
| 541 | F | A | 0.0000 | |
| 542 | G | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | L | A | 0.0000 | |
| 545 | L | A | 0.0000 | |
| 546 | Y | A | 0.0000 | |
| 547 | E | A | 0.0000 | |
| 548 | M | A | 0.0000 | |
| 549 | L | A | 0.0000 | |
| 550 | A | A | -0.8074 | |
| 551 | G | A | -1.0818 | |
| 552 | Q | A | -1.8147 | |
| 553 | P | A | -1.1649 | |
| 554 | P | A | -0.8850 | |
| 555 | F | A | 0.0000 | |
| 556 | D | A | -3.4386 | |
| 557 | G | A | -4.1243 | |
| 558 | E | A | -4.2263 | |
| 559 | D | A | -4.9433 | |
| 560 | E | A | -4.9067 | |
| 561 | E | A | -4.6432 | |
| 562 | E | A | -4.9737 | |
| 563 | L | A | 0.0000 | |
| 564 | F | A | -2.9195 | |
| 565 | Q | A | -3.2572 | |
| 566 | A | A | -2.7848 | |
| 567 | I | A | 0.0000 | |
| 568 | M | A | -1.4690 | |
| 569 | E | A | -2.6034 | |
| 570 | Q | A | -2.1855 | |
| 571 | T | A | -0.9815 | |
| 572 | V | A | -0.5895 | |
| 573 | T | A | -0.3991 | |
| 574 | Y | A | -0.3937 | |
| 575 | P | A | -0.8216 | |
| 576 | K | A | -1.9511 | |
| 577 | S | A | -1.1554 | |
| 578 | L | A | -1.0268 | |
| 579 | S | A | -1.2647 | |
| 580 | R | A | -2.1929 | |
| 581 | E | A | -1.4927 | |
| 582 | A | A | 0.0000 | |
| 583 | V | A | -1.0500 | |
| 584 | A | A | -1.1348 | |
| 585 | I | A | 0.0000 | |
| 586 | C | A | 0.0000 | |
| 587 | K | A | -1.6713 | |
| 588 | G | A | -1.1412 | |
| 589 | F | A | 0.0000 | |
| 590 | L | A | 0.0000 | |
| 591 | T | A | -1.4662 | |
| 592 | K | A | -1.7368 | |
| 593 | H | A | -1.9358 | |
| 594 | P | A | -1.5062 | |
| 595 | G | A | -1.7342 | |
| 596 | K | A | -2.3794 | |
| 597 | R | A | 0.0000 | |
| 598 | L | A | -0.9031 | |
| 599 | G | A | -0.9614 | |
| 600 | S | A | -1.2600 | |
| 601 | G | A | -1.5150 | |
| 602 | P | A | -1.2787 | |
| 603 | D | A | -2.0077 | |
| 604 | G | A | 0.0000 | |
| 605 | E | A | -1.2400 | |
| 606 | P | A | -1.2086 | |
| 607 | T | A | -0.9988 | |
| 608 | I | A | 0.0000 | |
| 609 | R | A | -0.7705 | |
| 610 | A | A | -0.6018 | |
| 611 | H | A | -0.5246 | |
| 612 | G | A | -0.8401 | |
| 613 | F | A | 0.0000 | |
| 614 | F | A | 0.0000 | |
| 615 | R | A | -1.0100 | |
| 616 | W | A | -0.3506 | |
| 617 | I | A | -0.4971 | |
| 618 | D | A | -1.1859 | |
| 619 | W | A | -1.5148 | |
| 620 | E | A | -2.5762 | |
| 621 | R | A | -2.1879 | |
| 622 | L | A | 0.0000 | |
| 623 | E | A | -2.4010 | |
| 624 | R | A | -2.6167 | |
| 625 | L | A | -1.2333 | |
| 626 | E | A | -1.4388 | |
| 627 | I | A | -0.5649 | |
| 628 | A | A | -0.5574 | |
| 629 | P | A | -0.4849 | |
| 630 | P | A | -0.3994 | |
| 631 | F | A | -0.5274 | |
| 632 | R | A | -1.9374 | |
| 633 | P | A | 0.0000 | |
| 634 | R | A | -2.4707 | |
| 635 | P | A | -1.9197 | |
| 636 | C | A | 0.0000 | |
| 637 | G | A | -1.7370 | |
| 638 | R | A | -2.4002 | |
| 639 | S | A | -1.4400 | |
| 640 | G | A | 0.0000 | |
| 641 | E | A | -2.1124 | |
| 642 | N | A | -1.3643 | |
| 643 | F | A | -0.9692 | |
| 644 | D | A | -1.9473 | |
| 645 | K | A | -1.8753 | |
| 646 | F | A | 0.3251 | |
| 647 | F | A | -0.5137 | |
| 648 | T | A | -1.1801 | |
| 649 | R | A | -1.8024 | |
| 650 | A | A | -0.5192 | |
| 651 | A | A | -0.2013 | |
| 652 | P | A | 0.0552 | |
| 653 | A | A | 0.2802 | |
| 654 | L | A | 0.3364 | |
| 655 | T | A | -0.1506 | |
| 656 | P | A | -0.7072 | |
| 657 | P | A | -0.8431 | |
| 658 | D | A | -1.3468 | |
| 659 | R | A | -1.4647 | |
| 660 | L | A | 0.6233 | |
| 661 | V | A | 0.3461 | |
| 662 | L | A | -0.2914 | |
| 663 | A | A | -0.2312 | |
| 664 | S | A | -0.2363 | |
| 665 | I | A | -0.9343 | |
| 666 | D | A | -2.6016 | |
| 667 | Q | A | -2.3540 | |
| 668 | A | A | -2.1285 | |
| 669 | D | A | -2.9108 | |
| 670 | F | A | 0.0000 | |
| 671 | Q | A | -2.1973 | |
| 672 | G | A | -1.0699 | |
| 673 | F | A | 0.0000 | |
| 674 | T | A | -0.1719 | |
| 675 | Y | A | 0.4060 | |
| 676 | V | A | 0.8765 | |
| 677 | N | A | 0.1549 | |
| 678 | P | A | -0.3191 | |
| 679 | D | A | -1.1045 | |
| 680 | F | A | -0.0312 | |
| 681 | V | A | -0.2858 | |
| 682 | H | A | -0.9565 | |
| 683 | P | A | -1.5077 | |
| 684 | D | A | -2.7263 | |
| 685 | A | A | -1.7933 | |
| 686 | R | A | -2.5552 | |
| 687 | S | A | -1.6730 | |
| 688 | P | A | -1.1948 | |
| 689 | T | A | -0.7342 | |
| 690 | S | A | -0.3480 | |
| 691 | P | A | 0.3558 | |
| 692 | V | A | 1.9020 | |
| 693 | P | A | 1.5607 | |
| 694 | V | A | 2.5738 | |
| 695 | P | A | 1.9148 | |
| 696 | V | A | 2.5994 | |
| 697 | M | A | 2.0867 |
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 | -0.4332 | 6.5954 | View | CSV | PDB |
| 4.5 | -0.4959 | 6.5954 | View | CSV | PDB |
| 5.0 | -0.5718 | 6.5954 | View | CSV | PDB |
| 5.5 | -0.6488 | 6.5954 | View | CSV | PDB |
| 6.0 | -0.7148 | 6.5954 | View | CSV | PDB |
| 6.5 | -0.7611 | 6.5954 | View | CSV | PDB |
| 7.0 | -0.7873 | 6.5954 | View | CSV | PDB |
| 7.5 | -0.7991 | 6.5954 | View | CSV | PDB |
| 8.0 | -0.8017 | 6.5954 | View | CSV | PDB |
| 8.5 | -0.7961 | 6.5954 | View | CSV | PDB |
| 9.0 | -0.7802 | 6.5954 | 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