| Chain sequence(s) | MGSNKSKPKDASQRRRSLEPAENVHGAGGAFPASQTPSKPASADGHRGPNAAFVPPAAAEPKLFGGFNSSDTVTSPQRAGPLAGGVTTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLSTGQTGYIPSNYVAPSDSIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDFDNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRLTTVCPTSKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTRVAIKTLKPGTMSPEAFLQEAQVMKKLRHEKLVQLYAVVSEEPIYIVTEYMNKGSLLDFLKGETGKYLRLPQLVDMSAQIASGMAYVERMNYVHRDLRAANILVGENLVCKVADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILLTELTTKGRVPYPGMVNREVLDQVERGYRMPCPPECPESLHDLMCQCWRKEPEERPTFEYLQAFLEDYFTSTEPQYQPGENL 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 globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:49)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/778d8c596ce1b7/tmp/folded.pdb (00:21:49)
[INFO] Main: Simulation completed successfully. (00:28:54)
|
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 | 0.7805 | |
| 2 | G | A | -0.3501 | |
| 3 | S | A | -1.2256 | |
| 4 | N | A | -2.3559 | |
| 5 | K | A | -2.8511 | |
| 6 | S | A | -2.4000 | |
| 7 | K | A | -2.6613 | |
| 8 | P | A | -2.3365 | |
| 9 | K | A | -3.0766 | |
| 10 | D | A | -2.6972 | |
| 11 | A | A | -1.7837 | |
| 12 | S | A | -1.7417 | |
| 13 | Q | A | -2.6554 | |
| 14 | R | A | -3.7552 | |
| 15 | R | A | -3.9818 | |
| 16 | R | A | -2.9002 | |
| 17 | S | A | -1.1208 | |
| 18 | L | A | 0.1361 | |
| 19 | E | A | -1.2263 | |
| 20 | P | A | -1.1785 | |
| 21 | A | A | -1.6307 | |
| 22 | E | A | -2.0622 | |
| 23 | N | A | -1.5048 | |
| 24 | V | A | 0.1711 | |
| 25 | H | A | -0.5945 | |
| 26 | G | A | -0.6754 | |
| 27 | A | A | -0.7265 | |
| 28 | G | A | -0.7487 | |
| 29 | G | A | -0.2614 | |
| 30 | A | A | 0.6356 | |
| 31 | F | A | 1.7594 | |
| 32 | P | A | 0.7182 | |
| 33 | A | A | -0.0819 | |
| 34 | S | A | -0.8709 | |
| 35 | Q | A | -1.3852 | |
| 36 | T | A | -0.8719 | |
| 37 | P | A | -0.9661 | |
| 38 | S | A | -1.2054 | |
| 39 | K | A | -1.9738 | |
| 40 | P | A | -1.2426 | |
| 41 | A | A | -0.5140 | |
| 42 | S | A | -0.5703 | |
| 43 | A | A | -1.0016 | |
| 44 | D | A | -2.2610 | |
| 45 | G | A | -2.1502 | |
| 46 | H | A | -2.6352 | |
| 47 | R | A | -2.7237 | |
| 48 | G | A | -2.0299 | |
| 49 | P | A | -1.4819 | |
| 50 | N | A | -1.4466 | |
| 51 | A | A | -0.1956 | |
| 52 | A | A | 1.2234 | |
| 53 | F | A | 2.7547 | |
| 54 | V | A | 2.5423 | |
| 55 | P | A | 0.9770 | |
| 56 | P | A | 0.2772 | |
| 57 | A | A | -0.2646 | |
| 58 | A | A | -0.3218 | |
| 59 | A | A | -1.0030 | |
| 60 | E | A | -2.1919 | |
| 61 | P | A | -1.7032 | |
| 62 | K | A | -1.1391 | |
| 63 | L | A | 1.2993 | |
| 64 | F | A | 1.9772 | |
| 65 | G | A | 0.7506 | |
| 66 | G | A | 0.3320 | |
| 67 | F | A | 0.9056 | |
| 68 | N | A | -0.8640 | |
| 69 | S | A | -1.0071 | |
| 70 | S | A | -1.2408 | |
| 71 | D | A | -2.0449 | |
| 72 | T | A | -0.6673 | |
| 73 | V | A | 0.7177 | |
| 74 | T | A | -0.3582 | |
| 75 | S | A | -0.6179 | |
| 76 | P | A | -1.1350 | |
| 77 | Q | A | -2.1999 | |
| 78 | R | A | -2.7165 | |
| 79 | A | A | -1.3514 | |
| 80 | G | A | -0.9692 | |
| 81 | P | A | -0.4452 | |
| 82 | L | A | 0.4614 | |
| 83 | A | A | 0.1726 | |
| 84 | G | A | -0.0750 | |
| 85 | G | A | 0.3548 | |
| 86 | V | A | 1.7253 | |
| 87 | T | A | 0.6851 | |
| 88 | T | A | -0.1342 | |
| 89 | F | A | 0.0000 | |
| 90 | V | A | -1.4576 | |
| 91 | A | A | 0.0000 | |
| 92 | L | A | -1.3750 | |
| 93 | Y | A | -1.8358 | |
| 94 | D | A | -2.4826 | |
| 95 | Y | A | 0.0000 | |
| 96 | E | A | -2.3039 | |
| 97 | S | A | -1.4192 | |
| 98 | R | A | -1.4599 | |
| 99 | T | A | -1.5616 | |
| 100 | E | A | -1.8874 | |
| 101 | T | A | -0.9639 | |
| 102 | D | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | S | A | -1.4317 | |
| 105 | F | A | 0.0000 | |
| 106 | K | A | -3.2633 | |
| 107 | K | A | -2.8828 | |
| 108 | G | A | -2.1541 | |
| 109 | E | A | -2.0359 | |
| 110 | R | A | -2.1295 | |
| 111 | L | A | 0.0000 | |
| 112 | Q | A | 0.3017 | |
| 113 | I | A | 0.0000 | |
| 114 | V | A | 1.2550 | |
| 115 | N | A | -0.3049 | |
| 116 | N | A | -1.0331 | |
| 117 | T | A | -1.1943 | |
| 118 | E | A | -1.7019 | |
| 119 | G | A | -1.6510 | |
| 120 | D | A | -1.4669 | |
| 121 | W | A | 0.0000 | |
| 122 | W | A | 0.0000 | |
| 123 | L | A | 0.2688 | |
| 124 | A | A | 0.0000 | |
| 125 | H | A | -0.4602 | |
| 126 | S | A | 0.0000 | |
| 127 | L | A | 0.0519 | |
| 128 | S | A | -0.4400 | |
| 129 | T | A | -0.7117 | |
| 130 | G | A | -0.8484 | |
| 131 | Q | A | -1.4030 | |
| 132 | T | A | -0.4547 | |
| 133 | G | A | 0.0000 | |
| 134 | Y | A | 0.0145 | |
| 135 | I | A | 0.0000 | |
| 136 | P | A | 0.0000 | |
| 137 | S | A | 0.0000 | |
| 138 | N | A | -0.3891 | |
| 139 | Y | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | P | A | -0.9146 | |
| 143 | S | A | -1.3679 | |
| 144 | D | A | -1.9145 | |
| 145 | S | A | -1.0337 | |
| 146 | I | A | -0.7586 | |
| 147 | Q | A | -1.0274 | |
| 148 | A | A | -1.0969 | |
| 149 | E | A | -1.4941 | |
| 150 | E | A | -1.8253 | |
| 151 | W | A | 0.0000 | |
| 152 | Y | A | -0.7421 | |
| 153 | F | A | -0.5801 | |
| 154 | G | A | -0.6598 | |
| 155 | K | A | -2.1112 | |
| 156 | I | A | -1.2488 | |
| 157 | T | A | -1.7712 | |
| 158 | R | A | -2.0091 | |
| 159 | R | A | -1.3778 | |
| 160 | E | A | -0.9122 | |
| 161 | S | A | 0.0000 | |
| 162 | E | A | -1.1388 | |
| 163 | R | A | -0.7049 | |
| 164 | L | A | -0.2528 | |
| 165 | L | A | 0.0000 | |
| 166 | L | A | -0.2577 | |
| 167 | N | A | -0.7691 | |
| 168 | A | A | -0.8924 | |
| 169 | E | A | -2.0733 | |
| 170 | N | A | -1.2303 | |
| 171 | P | A | -0.9917 | |
| 172 | R | A | -1.0945 | |
| 173 | G | A | 0.0000 | |
| 174 | T | A | 0.0000 | |
| 175 | F | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | R | A | 0.0000 | |
| 179 | E | A | -1.9997 | |
| 180 | S | A | 0.0000 | |
| 181 | E | A | -2.8129 | |
| 182 | T | A | -1.6231 | |
| 183 | T | A | -1.8292 | |
| 184 | K | A | -2.4166 | |
| 185 | G | A | -2.1315 | |
| 186 | A | A | 0.0000 | |
| 187 | Y | A | -1.5974 | |
| 188 | C | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | S | A | 0.0000 | |
| 193 | D | A | 0.0000 | |
| 194 | F | A | 0.8551 | |
| 195 | D | A | -0.7022 | |
| 196 | N | A | -1.5462 | |
| 197 | A | A | -1.2562 | |
| 198 | K | A | -1.7761 | |
| 199 | G | A | -0.6147 | |
| 200 | L | A | 0.3971 | |
| 201 | N | A | 0.0178 | |
| 202 | V | A | 0.0424 | |
| 203 | K | A | -0.3800 | |
| 204 | H | A | 0.0000 | |
| 205 | Y | A | 0.0000 | |
| 206 | K | A | -1.1640 | |
| 207 | I | A | 0.0000 | |
| 208 | R | A | -2.6502 | |
| 209 | K | A | -3.0191 | |
| 210 | L | A | -2.0574 | |
| 211 | D | A | -2.3225 | |
| 212 | S | A | -1.4514 | |
| 213 | G | A | -1.5805 | |
| 214 | G | A | -1.7804 | |
| 215 | F | A | -1.8745 | |
| 216 | Y | A | -1.5690 | |
| 217 | I | A | 0.0000 | |
| 218 | T | A | 0.0000 | |
| 219 | S | A | -1.6831 | |
| 220 | R | A | -2.3827 | |
| 221 | T | A | -1.4809 | |
| 222 | Q | A | -2.2149 | |
| 223 | F | A | -1.4116 | |
| 224 | N | A | -1.9205 | |
| 225 | S | A | -1.3730 | |
| 226 | L | A | 0.0000 | |
| 227 | Q | A | -1.0296 | |
| 228 | Q | A | -1.4929 | |
| 229 | L | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | A | A | -0.7413 | |
| 232 | Y | A | -0.8980 | |
| 233 | Y | A | 0.0000 | |
| 234 | S | A | -1.4897 | |
| 235 | K | A | -2.3396 | |
| 236 | H | A | -2.2057 | |
| 237 | A | A | -1.6691 | |
| 238 | D | A | -1.6989 | |
| 239 | G | A | -1.4035 | |
| 240 | L | A | 0.0000 | |
| 241 | C | A | -0.4995 | |
| 242 | H | A | -0.9855 | |
| 243 | R | A | -2.0932 | |
| 244 | L | A | 0.0000 | |
| 245 | T | A | -0.8046 | |
| 246 | T | A | -0.2299 | |
| 247 | V | A | -0.0275 | |
| 248 | C | A | 0.0000 | |
| 249 | P | A | -0.7452 | |
| 250 | T | A | -0.6896 | |
| 251 | S | A | -1.3180 | |
| 252 | K | A | -1.9443 | |
| 253 | P | A | -0.9964 | |
| 254 | Q | A | -1.2093 | |
| 255 | T | A | 0.0000 | |
| 256 | Q | A | -0.9853 | |
| 257 | G | A | -0.8742 | |
| 258 | L | A | 0.0000 | |
| 259 | A | A | 0.0000 | |
| 260 | K | A | -1.5887 | |
| 261 | D | A | -2.3488 | |
| 262 | A | A | -1.4831 | |
| 263 | W | A | -1.5369 | |
| 264 | E | A | -2.2773 | |
| 265 | I | A | 0.0000 | |
| 266 | P | A | -1.5877 | |
| 267 | R | A | -2.0708 | |
| 268 | E | A | -2.6052 | |
| 269 | S | A | -1.9814 | |
| 270 | L | A | 0.0000 | |
| 271 | R | A | -2.7521 | |
| 272 | L | A | -1.0317 | |
| 273 | E | A | -1.6236 | |
| 274 | V | A | -0.1319 | |
| 275 | K | A | -1.0880 | |
| 276 | L | A | -0.0957 | |
| 277 | G | A | -0.6981 | |
| 278 | Q | A | -1.5012 | |
| 279 | G | A | -0.8191 | |
| 280 | C | A | -0.2690 | |
| 281 | F | A | -0.6344 | |
| 282 | G | A | -1.0093 | |
| 283 | E | A | -1.2522 | |
| 284 | V | A | -0.0691 | |
| 285 | W | A | -0.3072 | |
| 286 | M | A | -0.5627 | |
| 287 | G | A | 0.0000 | |
| 288 | T | A | -1.9345 | |
| 289 | W | A | 0.0000 | |
| 290 | N | A | -2.2083 | |
| 291 | G | A | -1.7374 | |
| 292 | T | A | -1.4203 | |
| 293 | T | A | -1.5428 | |
| 294 | R | A | -2.1617 | |
| 295 | V | A | 0.0000 | |
| 296 | A | A | 0.0000 | |
| 297 | I | A | 0.0000 | |
| 298 | K | A | -0.3589 | |
| 299 | T | A | -0.7476 | |
| 300 | L | A | 0.0000 | |
| 301 | K | A | -2.1036 | |
| 302 | P | A | -1.8371 | |
| 303 | G | A | -1.5594 | |
| 304 | T | A | 0.0000 | |
| 305 | M | A | 0.0000 | |
| 306 | S | A | -1.3417 | |
| 307 | P | A | -1.7900 | |
| 308 | E | A | -2.2642 | |
| 309 | A | A | -1.3330 | |
| 310 | F | A | 0.0000 | |
| 311 | L | A | -1.3542 | |
| 312 | Q | A | -1.5285 | |
| 313 | E | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | Q | A | -1.1130 | |
| 316 | V | A | -0.4963 | |
| 317 | M | A | 0.0000 | |
| 318 | K | A | -1.6401 | |
| 319 | K | A | -2.0439 | |
| 320 | L | A | 0.0000 | |
| 321 | R | A | -1.2295 | |
| 322 | H | A | -0.9167 | |
| 323 | E | A | -0.8282 | |
| 324 | K | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | Q | A | -0.7270 | |
| 328 | L | A | -0.5785 | |
| 329 | Y | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | S | A | -1.8805 | |
| 334 | E | A | -2.8738 | |
| 335 | E | A | -2.4711 | |
| 336 | P | A | -1.9010 | |
| 337 | I | A | 0.0000 | |
| 338 | Y | A | -0.9004 | |
| 339 | I | A | 0.0000 | |
| 340 | V | A | 0.0000 | |
| 341 | T | A | -0.1291 | |
| 342 | E | A | 0.0000 | |
| 343 | Y | A | -0.4185 | |
| 344 | M | A | 0.0000 | |
| 345 | N | A | -1.6672 | |
| 346 | K | A | -1.6518 | |
| 347 | G | A | -0.9037 | |
| 348 | S | A | -0.7748 | |
| 349 | L | A | 0.0000 | |
| 350 | L | A | -1.0731 | |
| 351 | D | A | -2.4696 | |
| 352 | F | A | -1.8165 | |
| 353 | L | A | 0.0000 | |
| 354 | K | A | -3.2887 | |
| 355 | G | A | -2.4718 | |
| 356 | E | A | -2.7029 | |
| 357 | T | A | -1.5956 | |
| 358 | G | A | 0.0000 | |
| 359 | K | A | -2.3530 | |
| 360 | Y | A | -0.3752 | |
| 361 | L | A | 0.0000 | |
| 362 | R | A | -1.7984 | |
| 363 | L | A | -0.9688 | |
| 364 | P | A | -0.5285 | |
| 365 | Q | A | -0.8876 | |
| 366 | L | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | D | A | -0.4112 | |
| 369 | M | A | 0.0000 | |
| 370 | S | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | Q | A | 0.0000 | |
| 373 | I | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | S | A | -0.4919 | |
| 376 | G | A | 0.0000 | |
| 377 | M | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | Y | A | -0.8945 | |
| 380 | V | A | 0.0000 | |
| 381 | E | A | -0.9980 | |
| 382 | R | A | -1.3648 | |
| 383 | M | A | -0.6390 | |
| 384 | N | A | -1.1940 | |
| 385 | Y | A | -0.2534 | |
| 386 | V | A | -0.0463 | |
| 387 | H | A | 0.0000 | |
| 388 | R | A | -0.7086 | |
| 389 | D | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | R | A | -0.3622 | |
| 392 | A | A | 0.0000 | |
| 393 | A | A | -0.3489 | |
| 394 | N | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | L | A | -0.1765 | |
| 397 | V | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | E | A | -2.2026 | |
| 400 | N | A | -1.0820 | |
| 401 | L | A | -0.5193 | |
| 402 | V | A | -0.3851 | |
| 403 | C | A | 0.0000 | |
| 404 | K | A | 0.0000 | |
| 405 | V | A | 0.0000 | |
| 406 | A | A | 0.0000 | |
| 407 | D | A | -0.6478 | |
| 408 | F | A | 0.0000 | |
| 409 | G | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | A | A | -1.1427 | |
| 412 | R | A | -1.9563 | |
| 413 | L | A | -1.1519 | |
| 414 | I | A | -1.5232 | |
| 415 | E | A | -2.6855 | |
| 416 | D | A | -2.3267 | |
| 417 | N | A | -2.9354 | |
| 418 | E | A | -2.9852 | |
| 419 | Y | A | -1.8673 | |
| 420 | T | A | -2.0093 | |
| 421 | A | A | -1.6613 | |
| 422 | R | A | -2.7855 | |
| 423 | Q | A | -2.9370 | |
| 424 | G | A | -2.1193 | |
| 425 | A | A | -0.9667 | |
| 426 | K | A | -0.8713 | |
| 427 | F | A | -0.7053 | |
| 428 | P | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | K | A | -0.1596 | |
| 431 | W | A | -0.0466 | |
| 432 | T | A | 0.0000 | |
| 433 | A | A | 0.0000 | |
| 434 | P | A | 0.0000 | |
| 435 | E | A | 0.0000 | |
| 436 | A | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | L | A | 0.1005 | |
| 439 | Y | A | 0.4649 | |
| 440 | G | A | -0.5704 | |
| 441 | R | A | -1.4780 | |
| 442 | F | A | -0.7702 | |
| 443 | T | A | -0.4653 | |
| 444 | I | A | -0.0802 | |
| 445 | K | A | -1.1775 | |
| 446 | S | A | 0.0000 | |
| 447 | D | A | 0.0000 | |
| 448 | V | A | 0.0000 | |
| 449 | W | A | 0.0000 | |
| 450 | S | A | 0.0000 | |
| 451 | F | A | 0.0000 | |
| 452 | G | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | T | A | 0.0000 | |
| 457 | E | A | 0.0000 | |
| 458 | L | A | 0.0000 | |
| 459 | T | A | 0.0000 | |
| 460 | T | A | -1.0559 | |
| 461 | K | A | -1.7184 | |
| 462 | G | A | 0.0000 | |
| 463 | R | A | -1.3538 | |
| 464 | V | A | 0.7165 | |
| 465 | P | A | 0.0000 | |
| 466 | Y | A | 0.0000 | |
| 467 | P | A | -0.1420 | |
| 468 | G | A | -0.2529 | |
| 469 | M | A | -0.3732 | |
| 470 | V | A | -0.3676 | |
| 471 | N | A | -1.4814 | |
| 472 | R | A | -3.3008 | |
| 473 | E | A | -3.0451 | |
| 474 | V | A | 0.0000 | |
| 475 | L | A | -2.2513 | |
| 476 | D | A | -3.6620 | |
| 477 | Q | A | -2.7767 | |
| 478 | V | A | 0.0000 | |
| 479 | E | A | -3.0122 | |
| 480 | R | A | -3.1299 | |
| 481 | G | A | -2.1608 | |
| 482 | Y | A | -0.9493 | |
| 483 | R | A | -0.6283 | |
| 484 | M | A | 0.0000 | |
| 485 | P | A | -0.1513 | |
| 486 | C | A | -0.8450 | |
| 487 | P | A | -0.7807 | |
| 488 | P | A | -1.1003 | |
| 489 | E | A | -2.0974 | |
| 490 | C | A | 0.0000 | |
| 491 | P | A | -1.6374 | |
| 492 | E | A | -2.5607 | |
| 493 | S | A | -1.5728 | |
| 494 | L | A | 0.0000 | |
| 495 | H | A | -1.6192 | |
| 496 | D | A | -2.2753 | |
| 497 | L | A | 0.0000 | |
| 498 | M | A | 0.0000 | |
| 499 | C | A | -1.1151 | |
| 500 | Q | A | -1.4959 | |
| 501 | C | A | 0.0000 | |
| 502 | W | A | 0.0000 | |
| 503 | R | A | -3.1023 | |
| 504 | K | A | -3.9785 | |
| 505 | E | A | -4.0624 | |
| 506 | P | A | -3.0301 | |
| 507 | E | A | -3.6773 | |
| 508 | E | A | -3.8778 | |
| 509 | R | A | 0.0000 | |
| 510 | P | A | -0.9917 | |
| 511 | T | A | -0.6786 | |
| 512 | F | A | 0.0000 | |
| 513 | E | A | -1.0013 | |
| 514 | Y | A | 0.1660 | |
| 515 | L | A | 0.0000 | |
| 516 | Q | A | -0.8229 | |
| 517 | A | A | -0.7339 | |
| 518 | F | A | -0.1896 | |
| 519 | L | A | 0.0000 | |
| 520 | E | A | -1.4756 | |
| 521 | D | A | -1.5999 | |
| 522 | Y | A | -0.1409 | |
| 523 | F | A | 0.9277 | |
| 524 | T | A | -0.6064 | |
| 525 | S | A | -0.7939 | |
| 526 | T | A | -1.1176 | |
| 527 | E | A | -2.3818 | |
| 528 | P | A | -1.8455 | |
| 529 | Q | A | -2.0128 | |
| 530 | Y | A | -1.1130 | |
| 531 | Q | A | -1.4489 | |
| 532 | P | A | -1.4287 | |
| 533 | G | A | -1.7727 | |
| 534 | E | A | -2.7599 | |
| 535 | N | A | -2.3260 | |
| 536 | L | A | -1.7262 |
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 | -0.6726 | 6.0585 | View | CSV | PDB |
| 4.5 | -0.7443 | 6.0585 | View | CSV | PDB |
| 5.0 | -0.8332 | 6.0585 | View | CSV | PDB |
| 5.5 | -0.9225 | 6.0585 | View | CSV | PDB |
| 6.0 | -0.9943 | 6.0585 | View | CSV | PDB |
| 6.5 | -1.0346 | 6.0585 | View | CSV | PDB |
| 7.0 | -1.0416 | 6.0585 | View | CSV | PDB |
| 7.5 | -1.0257 | 6.0585 | View | CSV | PDB |
| 8.0 | -0.998 | 6.0585 | View | CSV | PDB |
| 8.5 | -0.9628 | 6.0585 | View | CSV | PDB |
| 9.0 | -0.9207 | 6.0585 | 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