| Chain sequence(s) | MGDPSKQDILAIFKRLRSVPTNKVCFDCGAKNPSWASISYGVFLCIDCSGSHRSLGVHLSFIRSTELDSNWSWFQLRCMQVGGNSNASSFFHQHGCATKDTNAKYNSRAAQLYREKIKTLATQATRRHGTDLWLDSCAAPPVSPPPKEEDFFASHASLEVSGAMQASAQPESASSTPWGLETTPEKHEGGPGQGPSVEGLNTPGKAAPEVSSIIKKKPNQAKKGLGAKKGSLGAQKLTNTSFTEIEKQAQAVDKRKEQEDLARGAPKEESIVSSLRLAYKDLEISRKKDERLNLSGQKKVEAERLGMGFGSCRSGISHSVTSDMQTIEQESPTLAKPRRKYQEDPEDSYFSSSSKWSEQSSRYFDDPMELRSSSFSSWDDGADSYWKKDSSRDPEPAMRSTGSSDRPSARRKPEYEPIGSTDEAQKKFGNVKAISSDMYFGIQAQTDFETRARLERLSTSSSISSADLFDEQRKQTAGNYNLSNVLPNAPDMAQFKQGVRSVAGKLSVFANGVMTSIQDRYGS 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 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 (00:14:35)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/978b13bd048395/tmp/folded.pdb (00:14:35)
[INFO] Main: Simulation completed successfully. (00:22:03)
|
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 | 0.3708 | |
| 2 | G | A | -0.8617 | |
| 3 | D | A | -2.1822 | |
| 4 | P | A | 0.0000 | |
| 5 | S | A | -1.9662 | |
| 6 | K | A | -2.5014 | |
| 7 | Q | A | -1.9015 | |
| 8 | D | A | -1.6042 | |
| 9 | I | A | 0.0000 | |
| 10 | L | A | -1.3062 | |
| 11 | A | A | -1.0721 | |
| 12 | I | A | 0.0000 | |
| 13 | F | A | 0.0000 | |
| 14 | K | A | -2.1260 | |
| 15 | R | A | -1.9203 | |
| 16 | L | A | 0.0000 | |
| 17 | R | A | -1.5557 | |
| 18 | S | A | -1.0913 | |
| 19 | V | A | -0.4593 | |
| 20 | P | A | -0.5207 | |
| 21 | T | A | -0.4028 | |
| 22 | N | A | 0.0000 | |
| 23 | K | A | -1.7040 | |
| 24 | V | A | -0.8178 | |
| 25 | C | A | 0.0000 | |
| 26 | F | A | 0.2908 | |
| 27 | D | A | -0.5470 | |
| 28 | C | A | -0.0874 | |
| 29 | G | A | -0.3336 | |
| 30 | A | A | -0.8502 | |
| 31 | K | A | -2.2736 | |
| 32 | N | A | -2.3212 | |
| 33 | P | A | 0.0000 | |
| 34 | S | A | -0.4523 | |
| 35 | W | A | 0.1159 | |
| 36 | A | A | 0.0000 | |
| 37 | S | A | 0.0000 | |
| 38 | I | A | 0.0000 | |
| 39 | S | A | -0.6225 | |
| 40 | Y | A | 0.0000 | |
| 41 | G | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | F | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | C | A | 0.1618 | |
| 46 | I | A | 1.1868 | |
| 47 | D | A | -0.7851 | |
| 48 | C | A | -0.3164 | |
| 49 | S | A | 0.0000 | |
| 50 | G | A | -0.7447 | |
| 51 | S | A | -1.1034 | |
| 52 | H | A | 0.0000 | |
| 53 | R | A | -0.7866 | |
| 54 | S | A | -0.7070 | |
| 55 | L | A | -0.4408 | |
| 56 | G | A | 0.2639 | |
| 57 | V | A | 1.3789 | |
| 58 | H | A | 0.0987 | |
| 59 | L | A | -0.0597 | |
| 60 | S | A | 0.0000 | |
| 61 | F | A | 1.0221 | |
| 62 | I | A | 0.4871 | |
| 63 | R | A | -0.3618 | |
| 64 | S | A | 0.0000 | |
| 65 | T | A | 0.0000 | |
| 66 | E | A | -1.1372 | |
| 67 | L | A | 0.2762 | |
| 68 | D | A | -0.8089 | |
| 69 | S | A | -1.5998 | |
| 70 | N | A | -1.8747 | |
| 71 | W | A | 0.0000 | |
| 72 | S | A | -0.7330 | |
| 73 | W | A | 0.0000 | |
| 74 | F | A | -0.1863 | |
| 75 | Q | A | -0.0573 | |
| 76 | L | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | C | A | 0.0000 | |
| 79 | M | A | 0.0000 | |
| 80 | Q | A | 0.0000 | |
| 81 | V | A | -0.2159 | |
| 82 | G | A | 0.0000 | |
| 83 | G | A | -0.3842 | |
| 84 | N | A | 0.0000 | |
| 85 | S | A | -0.7797 | |
| 86 | N | A | -1.3426 | |
| 87 | A | A | 0.0000 | |
| 88 | S | A | -0.9628 | |
| 89 | S | A | -1.2871 | |
| 90 | F | A | -1.0161 | |
| 91 | F | A | 0.0000 | |
| 92 | H | A | -1.8194 | |
| 93 | Q | A | -1.9303 | |
| 94 | H | A | -1.5509 | |
| 95 | G | A | -1.4807 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | -1.1785 | |
| 98 | T | A | -1.7435 | |
| 99 | K | A | -2.7300 | |
| 100 | D | A | -3.0875 | |
| 101 | T | A | -2.0638 | |
| 102 | N | A | -2.3099 | |
| 103 | A | A | -1.9408 | |
| 104 | K | A | -1.9626 | |
| 105 | Y | A | 0.0000 | |
| 106 | N | A | -1.7138 | |
| 107 | S | A | -1.7176 | |
| 108 | R | A | -2.2484 | |
| 109 | A | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | Q | A | -2.0365 | |
| 112 | L | A | -1.0402 | |
| 113 | Y | A | 0.0000 | |
| 114 | R | A | -2.1879 | |
| 115 | E | A | -3.0014 | |
| 116 | K | A | -2.2045 | |
| 117 | I | A | 0.0000 | |
| 118 | K | A | -2.7223 | |
| 119 | T | A | -1.7780 | |
| 120 | L | A | -1.0756 | |
| 121 | A | A | 0.0000 | |
| 122 | T | A | -1.6031 | |
| 123 | Q | A | -2.2541 | |
| 124 | A | A | 0.0000 | |
| 125 | T | A | -1.8996 | |
| 126 | R | A | -3.0943 | |
| 127 | R | A | -3.3643 | |
| 128 | H | A | -2.2566 | |
| 129 | G | A | -1.5535 | |
| 130 | T | A | -1.3306 | |
| 131 | D | A | -1.7189 | |
| 132 | L | A | -0.2999 | |
| 133 | W | A | -0.6242 | |
| 134 | L | A | -0.7183 | |
| 135 | D | A | -1.6832 | |
| 136 | S | A | -0.9203 | |
| 137 | C | A | -0.5537 | |
| 138 | A | A | -0.5463 | |
| 139 | A | A | 0.0631 | |
| 140 | P | A | 0.0986 | |
| 141 | P | A | 0.3207 | |
| 142 | V | A | 1.3913 | |
| 143 | S | A | 0.3039 | |
| 144 | P | A | -0.4324 | |
| 145 | P | A | -1.1875 | |
| 146 | P | A | -2.0538 | |
| 147 | K | A | -3.6967 | |
| 148 | E | A | -3.8548 | |
| 149 | E | A | -3.3500 | |
| 150 | D | A | -2.0165 | |
| 151 | F | A | 0.9711 | |
| 152 | F | A | 1.7076 | |
| 153 | A | A | 0.4208 | |
| 154 | S | A | 0.0630 | |
| 155 | H | A | 0.2146 | |
| 156 | A | A | 0.2644 | |
| 157 | S | A | 0.2616 | |
| 158 | L | A | 0.6660 | |
| 159 | E | A | -0.3825 | |
| 160 | V | A | 0.9717 | |
| 161 | S | A | 0.2014 | |
| 162 | G | A | -0.0526 | |
| 163 | A | A | 0.2390 | |
| 164 | M | A | 0.3966 | |
| 165 | Q | A | -0.6935 | |
| 166 | A | A | -0.3950 | |
| 167 | S | A | -0.5704 | |
| 168 | A | A | -0.6645 | |
| 169 | Q | A | -1.7061 | |
| 170 | P | A | -1.7828 | |
| 171 | E | A | -2.2802 | |
| 172 | S | A | -1.1493 | |
| 173 | A | A | -0.5634 | |
| 174 | S | A | -0.3428 | |
| 175 | S | A | -0.3979 | |
| 176 | T | A | -0.1577 | |
| 177 | P | A | 0.2740 | |
| 178 | W | A | 1.1273 | |
| 179 | G | A | 0.5188 | |
| 180 | L | A | 0.6736 | |
| 181 | E | A | -1.2300 | |
| 182 | T | A | -1.0274 | |
| 183 | T | A | -1.0909 | |
| 184 | P | A | -1.5418 | |
| 185 | E | A | -3.0185 | |
| 186 | K | A | -3.5257 | |
| 187 | H | A | -3.2503 | |
| 188 | E | A | -3.0009 | |
| 189 | G | A | -1.8659 | |
| 190 | G | A | -1.4084 | |
| 191 | P | A | -1.1385 | |
| 192 | G | A | -1.4794 | |
| 193 | Q | A | -1.8743 | |
| 194 | G | A | -1.3417 | |
| 195 | P | A | -0.6935 | |
| 196 | S | A | -0.2384 | |
| 197 | V | A | 0.7918 | |
| 198 | E | A | -1.0962 | |
| 199 | G | A | -0.5162 | |
| 200 | L | A | 0.4933 | |
| 201 | N | A | -0.9361 | |
| 202 | T | A | -0.6104 | |
| 203 | P | A | -0.9878 | |
| 204 | G | A | -1.4476 | |
| 205 | K | A | -1.9436 | |
| 206 | A | A | -0.8756 | |
| 207 | A | A | -0.8249 | |
| 208 | P | A | -0.8459 | |
| 209 | E | A | -1.1521 | |
| 210 | V | A | 0.7145 | |
| 211 | S | A | 0.6548 | |
| 212 | S | A | 1.4414 | |
| 213 | I | A | 2.4706 | |
| 214 | I | A | 1.6585 | |
| 215 | K | A | -1.4022 | |
| 216 | K | A | -2.9515 | |
| 217 | K | A | -3.2492 | |
| 218 | P | A | -2.2554 | |
| 219 | N | A | -2.3372 | |
| 220 | Q | A | -2.2016 | |
| 221 | A | A | -2.0408 | |
| 222 | K | A | -2.8652 | |
| 223 | K | A | -2.4278 | |
| 224 | G | A | -1.0378 | |
| 225 | L | A | 0.7236 | |
| 226 | G | A | -0.3628 | |
| 227 | A | A | -1.0701 | |
| 228 | K | A | -2.7439 | |
| 229 | K | A | -2.8069 | |
| 230 | G | A | -1.4681 | |
| 231 | S | A | -0.3846 | |
| 232 | L | A | 1.0006 | |
| 233 | G | A | -0.3277 | |
| 234 | A | A | -0.6940 | |
| 235 | Q | A | -1.5382 | |
| 236 | K | A | -1.7439 | |
| 237 | L | A | 0.1867 | |
| 238 | T | A | -0.3650 | |
| 239 | N | A | -1.1174 | |
| 240 | T | A | -0.3433 | |
| 241 | S | A | -0.0311 | |
| 242 | F | A | 0.0006 | |
| 243 | T | A | -1.3555 | |
| 244 | E | A | -2.3365 | |
| 245 | I | A | -0.5534 | |
| 246 | E | A | -2.6876 | |
| 247 | K | A | -3.2740 | |
| 248 | Q | A | -2.5900 | |
| 249 | A | A | -2.3115 | |
| 250 | Q | A | -3.6071 | |
| 251 | A | A | -2.7166 | |
| 252 | V | A | -2.5324 | |
| 253 | D | A | -4.5194 | |
| 254 | K | A | -5.1890 | |
| 255 | R | A | -5.1626 | |
| 256 | K | A | -5.3111 | |
| 257 | E | A | -5.4068 | |
| 258 | Q | A | -4.7808 | |
| 259 | E | A | -4.9534 | |
| 260 | D | A | -4.3266 | |
| 261 | L | A | -1.8437 | |
| 262 | A | A | -2.0518 | |
| 263 | R | A | -3.2662 | |
| 264 | G | A | -2.1503 | |
| 265 | A | A | -1.8305 | |
| 266 | P | A | -2.3275 | |
| 267 | K | A | -3.1045 | |
| 268 | E | A | -2.8648 | |
| 269 | E | A | -2.5132 | |
| 270 | S | A | -1.2999 | |
| 271 | I | A | 0.5132 | |
| 272 | V | A | -0.0671 | |
| 273 | S | A | -0.0296 | |
| 274 | S | A | 0.6070 | |
| 275 | L | A | 0.9058 | |
| 276 | R | A | -0.5655 | |
| 277 | L | A | 0.6184 | |
| 278 | A | A | 0.4159 | |
| 279 | Y | A | 0.5219 | |
| 280 | K | A | -1.2141 | |
| 281 | D | A | -1.2954 | |
| 282 | L | A | 0.0661 | |
| 283 | E | A | -1.4944 | |
| 284 | I | A | -0.8087 | |
| 285 | S | A | -2.2367 | |
| 286 | R | A | -3.8610 | |
| 287 | K | A | -3.5874 | |
| 288 | K | A | -3.9705 | |
| 289 | D | A | -4.3739 | |
| 290 | E | A | -4.2448 | |
| 291 | R | A | -3.5708 | |
| 292 | L | A | -1.5531 | |
| 293 | N | A | -2.1390 | |
| 294 | L | A | -0.1959 | |
| 295 | S | A | -0.9640 | |
| 296 | G | A | -1.3816 | |
| 297 | Q | A | -2.5651 | |
| 298 | K | A | -3.3710 | |
| 299 | K | A | -3.4160 | |
| 300 | V | A | -1.3270 | |
| 301 | E | A | -2.5079 | |
| 302 | A | A | 0.0000 | |
| 303 | E | A | -2.7596 | |
| 304 | R | A | -2.2549 | |
| 305 | L | A | -0.0765 | |
| 306 | G | A | -0.5858 | |
| 307 | M | A | 0.3034 | |
| 308 | G | A | 0.7075 | |
| 309 | F | A | 1.5070 | |
| 310 | G | A | 0.3098 | |
| 311 | S | A | -0.1030 | |
| 312 | C | A | -0.5078 | |
| 313 | R | A | -1.7752 | |
| 314 | S | A | -0.7523 | |
| 315 | G | A | 0.0445 | |
| 316 | I | A | 1.3908 | |
| 317 | S | A | 0.0978 | |
| 318 | H | A | -0.3444 | |
| 319 | S | A | 0.2675 | |
| 320 | V | A | 1.1844 | |
| 321 | T | A | 0.2600 | |
| 322 | S | A | -0.5826 | |
| 323 | D | A | -1.4564 | |
| 324 | M | A | -0.0256 | |
| 325 | Q | A | -0.9348 | |
| 326 | T | A | -0.2327 | |
| 327 | I | A | 0.3724 | |
| 328 | E | A | -2.0804 | |
| 329 | Q | A | -2.5247 | |
| 330 | E | A | -2.7929 | |
| 331 | S | A | -1.5923 | |
| 332 | P | A | -0.6248 | |
| 333 | T | A | 0.3222 | |
| 334 | L | A | 1.0536 | |
| 335 | A | A | -0.1153 | |
| 336 | K | A | -1.7939 | |
| 337 | P | A | -2.3296 | |
| 338 | R | A | -3.6438 | |
| 339 | R | A | -3.4208 | |
| 340 | K | A | -2.5020 | |
| 341 | Y | A | -1.0370 | |
| 342 | Q | A | -2.1096 | |
| 343 | E | A | -3.1340 | |
| 344 | D | A | -3.4678 | |
| 345 | P | A | -2.6832 | |
| 346 | E | A | -3.1806 | |
| 347 | D | A | -2.5494 | |
| 348 | S | A | -0.5688 | |
| 349 | Y | A | 1.7720 | |
| 350 | F | A | 2.4184 | |
| 351 | S | A | 0.8273 | |
| 352 | S | A | -0.0938 | |
| 353 | S | A | -0.8406 | |
| 354 | S | A | -1.0491 | |
| 355 | K | A | -1.2978 | |
| 356 | W | A | -0.1873 | |
| 357 | S | A | -1.1284 | |
| 358 | E | A | -2.3440 | |
| 359 | Q | A | -2.3053 | |
| 360 | S | A | -1.7446 | |
| 361 | S | A | -1.1493 | |
| 362 | R | A | -0.8344 | |
| 363 | Y | A | 0.7902 | |
| 364 | F | A | 0.8445 | |
| 365 | D | A | -1.5514 | |
| 366 | D | A | -2.2507 | |
| 367 | P | A | -1.2137 | |
| 368 | M | A | -0.2539 | |
| 369 | E | A | -1.0142 | |
| 370 | L | A | -0.0765 | |
| 371 | R | A | -1.6029 | |
| 372 | S | A | -0.8844 | |
| 373 | S | A | -0.2612 | |
| 374 | S | A | 0.3154 | |
| 375 | F | A | 1.6217 | |
| 376 | S | A | 0.8220 | |
| 377 | S | A | 0.1098 | |
| 378 | W | A | -0.3008 | |
| 379 | D | A | -2.3200 | |
| 380 | D | A | -2.7408 | |
| 381 | G | A | -2.0241 | |
| 382 | A | A | -1.4201 | |
| 383 | D | A | -1.6268 | |
| 384 | S | A | -0.4278 | |
| 385 | Y | A | 0.9546 | |
| 386 | W | A | 0.4914 | |
| 387 | K | A | -2.0913 | |
| 388 | K | A | -3.1487 | |
| 389 | D | A | -3.1493 | |
| 390 | S | A | -1.9498 | |
| 391 | S | A | -2.1551 | |
| 392 | R | A | -3.0827 | |
| 393 | D | A | -3.3565 | |
| 394 | P | A | -2.5248 | |
| 395 | E | A | -2.4009 | |
| 396 | P | A | -1.0837 | |
| 397 | A | A | -0.3334 | |
| 398 | M | A | -0.0243 | |
| 399 | R | A | -1.3705 | |
| 400 | S | A | -1.0094 | |
| 401 | T | A | -0.8454 | |
| 402 | G | A | -0.7117 | |
| 403 | S | A | -0.9444 | |
| 404 | S | A | -1.6506 | |
| 405 | D | A | -2.9739 | |
| 406 | R | A | -3.0271 | |
| 407 | P | A | -1.7836 | |
| 408 | S | A | -1.3856 | |
| 409 | A | A | -1.6522 | |
| 410 | R | A | -3.1876 | |
| 411 | R | A | -3.8857 | |
| 412 | K | A | -3.4897 | |
| 413 | P | A | -2.4753 | |
| 414 | E | A | -2.5835 | |
| 415 | Y | A | -0.5409 | |
| 416 | E | A | -1.3495 | |
| 417 | P | A | -0.2136 | |
| 418 | I | A | 1.2807 | |
| 419 | G | A | -0.1207 | |
| 420 | S | A | -0.7845 | |
| 421 | T | A | -1.6201 | |
| 422 | D | A | -3.5860 | |
| 423 | E | A | -3.8694 | |
| 424 | A | A | -2.5281 | |
| 425 | Q | A | -3.7864 | |
| 426 | K | A | -4.3525 | |
| 427 | K | A | -3.4667 | |
| 428 | F | A | -1.9591 | |
| 429 | G | A | -2.5994 | |
| 430 | N | A | -2.0600 | |
| 431 | V | A | -0.7400 | |
| 432 | K | A | -1.3986 | |
| 433 | A | A | -0.2975 | |
| 434 | I | A | 0.8638 | |
| 435 | S | A | 0.5011 | |
| 436 | S | A | 0.6657 | |
| 437 | D | A | 0.4283 | |
| 438 | M | A | 1.5063 | |
| 439 | Y | A | 1.9652 | |
| 440 | F | A | 2.4539 | |
| 441 | G | A | 1.2791 | |
| 442 | I | A | 1.3529 | |
| 443 | Q | A | -0.6078 | |
| 444 | A | A | -0.7810 | |
| 445 | Q | A | -1.4584 | |
| 446 | T | A | -1.2241 | |
| 447 | D | A | -1.3559 | |
| 448 | F | A | -0.2855 | |
| 449 | E | A | -1.3272 | |
| 450 | T | A | -1.5283 | |
| 451 | R | A | -2.3625 | |
| 452 | A | A | -1.7785 | |
| 453 | R | A | -1.7977 | |
| 454 | L | A | -1.1149 | |
| 455 | E | A | -2.9978 | |
| 456 | R | A | -2.8594 | |
| 457 | L | A | -1.3681 | |
| 458 | S | A | -1.0681 | |
| 459 | T | A | -0.6967 | |
| 460 | S | A | -0.4387 | |
| 461 | S | A | -0.1659 | |
| 462 | S | A | -0.0125 | |
| 463 | I | A | 0.6328 | |
| 464 | S | A | -0.0234 | |
| 465 | S | A | -0.0633 | |
| 466 | A | A | -0.6185 | |
| 467 | D | A | -1.1766 | |
| 468 | L | A | -0.4862 | |
| 469 | F | A | -0.0717 | |
| 470 | D | A | -2.5775 | |
| 471 | E | A | -3.4673 | |
| 472 | Q | A | -3.8384 | |
| 473 | R | A | -4.4411 | |
| 474 | K | A | -3.7823 | |
| 475 | Q | A | -2.7794 | |
| 476 | T | A | -1.6875 | |
| 477 | A | A | -0.8657 | |
| 478 | G | A | -1.0736 | |
| 479 | N | A | -1.0055 | |
| 480 | Y | A | 0.4235 | |
| 481 | N | A | -0.5223 | |
| 482 | L | A | 1.2541 | |
| 483 | S | A | 0.3709 | |
| 484 | N | A | -0.0119 | |
| 485 | V | A | 2.1173 | |
| 486 | L | A | 1.8955 | |
| 487 | P | A | 0.0653 | |
| 488 | N | A | -1.1402 | |
| 489 | A | A | -0.8313 | |
| 490 | P | A | -1.1722 | |
| 491 | D | A | -1.3387 | |
| 492 | M | A | 0.0760 | |
| 493 | A | A | -0.6351 | |
| 494 | Q | A | -1.1831 | |
| 495 | F | A | 0.4387 | |
| 496 | K | A | -1.4802 | |
| 497 | Q | A | -1.8796 | |
| 498 | G | A | -0.6860 | |
| 499 | V | A | 0.5785 | |
| 500 | R | A | -1.2336 | |
| 501 | S | A | -0.0442 | |
| 502 | V | A | 1.1179 | |
| 503 | A | A | 0.2828 | |
| 504 | G | A | -0.3155 | |
| 505 | K | A | -0.6266 | |
| 506 | L | A | 1.3953 | |
| 507 | S | A | 1.1980 | |
| 508 | V | A | 2.3826 | |
| 509 | F | A | 2.8194 | |
| 510 | A | A | 1.4040 | |
| 511 | N | A | 0.1144 | |
| 512 | G | A | 0.8102 | |
| 513 | V | A | 1.8789 | |
| 514 | M | A | 1.2215 | |
| 515 | T | A | -0.1458 | |
| 516 | S | A | -0.0997 | |
| 517 | I | A | 0.4599 | |
| 518 | Q | A | -1.3676 | |
| 519 | D | A | -2.5452 | |
| 520 | R | A | -2.1829 | |
| 521 | Y | A | -0.3871 | |
| 522 | G | A | -1.0466 | |
| 523 | S | A | -0.7651 |
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 | -0.7439 | 5.3732 | View | CSV | PDB |
| 4.5 | -0.8536 | 5.2938 | View | CSV | PDB |
| 5.0 | -0.9847 | 5.2938 | View | CSV | PDB |
| 5.5 | -1.112 | 5.2938 | View | CSV | PDB |
| 6.0 | -1.2107 | 5.2938 | View | CSV | PDB |
| 6.5 | -1.2651 | 5.2938 | View | CSV | PDB |
| 7.0 | -1.2763 | 5.2938 | View | CSV | PDB |
| 7.5 | -1.2585 | 5.2938 | View | CSV | PDB |
| 8.0 | -1.2242 | 5.2938 | View | CSV | PDB |
| 8.5 | -1.177 | 5.2938 | View | CSV | PDB |
| 9.0 | -1.1153 | 5.2938 | 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