| Chain sequence(s) | MPSGFQQIGSEDGEPPQQRVTGTLVLAVFSAVLGSLQFGYNIGVINAPQKVIEQSYNATWLGRQGPGGPDSIPQGTLTTLWALSVAIFSVGGMISSFLIGIISQWLGRKRAMLANNVLAVLGGALMGLANAAASYEILILGRFLIGAYSGLTSGLVPMYVGEIAPTHLRGALGTLNQLAIVIGILVAQVLGLESMLGTATLWPLLLAITVLPALLQLLLLPFCPESPRYLYIIRNLEGPARKSLKRLTGWADVSDALAELKDEKRKLERERPLSLLQLLGSRTHRQPLIIAVVLQLSQQLSGINAVFYYSTSIFELAGVEQPAYATIGAGVVNTVFTLVSVLLVERAGRRTLHLLGLAGMCGCAILMTVALLLLERVPSMSYVSIVAIFGFVAFFEIGPGPIPWFIVAELFSQGPRPAAMAVAGFSNWTCNFIVGMGFQYVADAMGPYVFLLFAVLLLGFFIFTFLRVPETRGRTFDQISATFRRTPSLLEQEVKPSTELEYLGPDEND 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:35)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1aaebb9cf0fd20/tmp/folded.pdb (00:08:35)
[INFO] Main: Simulation completed successfully. (00:14:18)
|
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 | 0.8168 | |
| 2 | P | A | 0.3004 | |
| 3 | S | A | -0.0158 | |
| 4 | G | A | -0.0674 | |
| 5 | F | A | 0.9881 | |
| 6 | Q | A | -0.4865 | |
| 7 | Q | A | -0.4452 | |
| 8 | I | A | 0.7786 | |
| 9 | G | A | -0.8405 | |
| 10 | S | A | -1.8564 | |
| 11 | E | A | -2.9105 | |
| 12 | D | A | -3.6798 | |
| 13 | G | A | -2.8471 | |
| 14 | E | A | -3.3212 | |
| 15 | P | A | -2.1099 | |
| 16 | P | A | -2.2454 | |
| 17 | Q | A | -2.5103 | |
| 18 | Q | A | -2.1117 | |
| 19 | R | A | -1.9164 | |
| 20 | V | A | 0.7087 | |
| 21 | T | A | 0.1479 | |
| 22 | G | A | 0.1907 | |
| 23 | T | A | 0.6232 | |
| 24 | L | A | 0.0000 | |
| 25 | V | A | 2.4224 | |
| 26 | L | A | 1.8313 | |
| 27 | A | A | 0.0000 | |
| 28 | V | A | 0.0000 | |
| 29 | F | A | 2.0546 | |
| 30 | S | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | V | A | 0.8265 | |
| 33 | L | A | 0.0000 | |
| 34 | G | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | L | A | 0.9597 | |
| 37 | Q | A | 0.0000 | |
| 38 | F | A | 0.5963 | |
| 39 | G | A | 0.0000 | |
| 40 | Y | A | 0.0000 | |
| 41 | N | A | 0.0000 | |
| 42 | I | A | 0.8320 | |
| 43 | G | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | I | A | 0.0000 | |
| 46 | N | A | -1.4230 | |
| 47 | A | A | -1.0993 | |
| 48 | P | A | 0.0000 | |
| 49 | Q | A | -1.6650 | |
| 50 | K | A | -2.2590 | |
| 51 | V | A | -1.2677 | |
| 52 | I | A | 0.0000 | |
| 53 | E | A | -1.2871 | |
| 54 | Q | A | -1.6802 | |
| 55 | S | A | -0.9652 | |
| 56 | Y | A | 0.0000 | |
| 57 | N | A | -0.9387 | |
| 58 | A | A | -0.7379 | |
| 59 | T | A | -0.6569 | |
| 60 | W | A | -0.7785 | |
| 61 | L | A | -0.9586 | |
| 62 | G | A | -1.1169 | |
| 63 | R | A | -1.7008 | |
| 64 | Q | A | -1.8583 | |
| 65 | G | A | -1.3349 | |
| 66 | P | A | -1.0045 | |
| 67 | G | A | -1.1729 | |
| 68 | G | A | -1.5229 | |
| 69 | P | A | -1.4435 | |
| 70 | D | A | -2.0552 | |
| 71 | S | A | -1.2669 | |
| 72 | I | A | 0.0000 | |
| 73 | P | A | -1.1218 | |
| 74 | Q | A | -1.4718 | |
| 75 | G | A | -1.0414 | |
| 76 | T | A | -0.5778 | |
| 77 | L | A | -0.4874 | |
| 78 | T | A | -0.3314 | |
| 79 | T | A | -0.0253 | |
| 80 | L | A | 0.2647 | |
| 81 | W | A | 0.4741 | |
| 82 | A | A | 0.7665 | |
| 83 | L | A | 1.2432 | |
| 84 | S | A | 0.0000 | |
| 85 | V | A | 0.9866 | |
| 86 | A | A | 1.2482 | |
| 87 | I | A | 1.2524 | |
| 88 | F | A | 0.0000 | |
| 89 | S | A | 0.0000 | |
| 90 | V | A | 1.3631 | |
| 91 | G | A | 0.0000 | |
| 92 | G | A | 0.0000 | |
| 93 | M | A | 1.7708 | |
| 94 | I | A | 2.6812 | |
| 95 | S | A | 0.0000 | |
| 96 | S | A | 0.0000 | |
| 97 | F | A | 2.4138 | |
| 98 | L | A | 2.2177 | |
| 99 | I | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | I | A | 2.7394 | |
| 102 | I | A | 1.7570 | |
| 103 | S | A | 0.0000 | |
| 104 | Q | A | 0.9503 | |
| 105 | W | A | 1.5629 | |
| 106 | L | A | 0.7455 | |
| 107 | G | A | 0.0000 | |
| 108 | R | A | 0.0000 | |
| 109 | K | A | -0.5360 | |
| 110 | R | A | -0.5956 | |
| 111 | A | A | 0.0000 | |
| 112 | M | A | 0.0000 | |
| 113 | L | A | 0.6615 | |
| 114 | A | A | 0.5845 | |
| 115 | N | A | 0.0000 | |
| 116 | N | A | 0.0000 | |
| 117 | V | A | 2.6792 | |
| 118 | L | A | 1.8559 | |
| 119 | A | A | 0.0000 | |
| 120 | V | A | 2.3565 | |
| 121 | L | A | 2.1316 | |
| 122 | G | A | 0.0000 | |
| 123 | G | A | 0.0000 | |
| 124 | A | A | 1.3229 | |
| 125 | L | A | 1.2865 | |
| 126 | M | A | 0.0000 | |
| 127 | G | A | 1.1494 | |
| 128 | L | A | 1.5589 | |
| 129 | A | A | 0.0000 | |
| 130 | N | A | -0.1125 | |
| 131 | A | A | 0.1701 | |
| 132 | A | A | 0.2064 | |
| 133 | A | A | -0.2650 | |
| 134 | S | A | -0.1894 | |
| 135 | Y | A | -0.1498 | |
| 136 | E | A | -0.3539 | |
| 137 | I | A | 0.6969 | |
| 138 | L | A | 0.0000 | |
| 139 | I | A | 1.0541 | |
| 140 | L | A | 1.5512 | |
| 141 | G | A | 0.0000 | |
| 142 | R | A | 0.0000 | |
| 143 | F | A | 1.6383 | |
| 144 | L | A | 1.4526 | |
| 145 | I | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | A | A | 0.8922 | |
| 148 | Y | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | G | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | T | A | 0.0000 | |
| 153 | S | A | 0.0000 | |
| 154 | G | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | P | A | 0.0000 | |
| 158 | M | A | 0.0000 | |
| 159 | Y | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | E | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | A | A | 0.0000 | |
| 165 | P | A | -0.0800 | |
| 166 | T | A | -0.6228 | |
| 167 | H | A | -0.9601 | |
| 168 | L | A | -0.0172 | |
| 169 | R | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | A | A | 0.4222 | |
| 172 | L | A | 0.6836 | |
| 173 | G | A | 0.0000 | |
| 174 | T | A | 0.0000 | |
| 175 | L | A | 0.8941 | |
| 176 | N | A | 0.0000 | |
| 177 | Q | A | 0.4933 | |
| 178 | L | A | 1.2089 | |
| 179 | A | A | 0.0000 | |
| 180 | I | A | 1.0138 | |
| 181 | V | A | 0.0000 | |
| 182 | I | A | 1.6059 | |
| 183 | G | A | 0.0000 | |
| 184 | I | A | 1.5508 | |
| 185 | L | A | 1.5476 | |
| 186 | V | A | 1.5737 | |
| 187 | A | A | 0.0000 | |
| 188 | Q | A | 0.8550 | |
| 189 | V | A | 1.1839 | |
| 190 | L | A | 0.7929 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | E | A | -1.5063 | |
| 194 | S | A | -0.7288 | |
| 195 | M | A | 0.0955 | |
| 196 | L | A | 0.4235 | |
| 197 | G | A | 0.0000 | |
| 198 | T | A | -0.3597 | |
| 199 | A | A | -0.4459 | |
| 200 | T | A | 0.2990 | |
| 201 | L | A | 0.6602 | |
| 202 | W | A | 0.0000 | |
| 203 | P | A | 0.0000 | |
| 204 | L | A | 1.3230 | |
| 205 | L | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | A | A | 1.3220 | |
| 208 | I | A | 1.2332 | |
| 209 | T | A | 0.0000 | |
| 210 | V | A | 2.0222 | |
| 211 | L | A | 2.4214 | |
| 212 | P | A | 1.8034 | |
| 213 | A | A | 0.0000 | |
| 214 | L | A | 2.9087 | |
| 215 | L | A | 2.3691 | |
| 216 | Q | A | 0.0000 | |
| 217 | L | A | 2.4791 | |
| 218 | L | A | 2.7361 | |
| 219 | L | A | 2.1869 | |
| 220 | L | A | 0.0000 | |
| 221 | P | A | 1.1960 | |
| 222 | F | A | 2.2926 | |
| 223 | C | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | E | A | 0.0000 | |
| 226 | S | A | 0.0000 | |
| 227 | P | A | 0.0000 | |
| 228 | R | A | -0.6518 | |
| 229 | Y | A | 0.0000 | |
| 230 | L | A | -0.7900 | |
| 231 | Y | A | 0.0000 | |
| 232 | I | A | -1.1217 | |
| 233 | I | A | 0.0814 | |
| 234 | R | A | -1.2353 | |
| 235 | N | A | -1.7355 | |
| 236 | L | A | -1.3535 | |
| 237 | E | A | -2.8664 | |
| 238 | G | A | -1.9807 | |
| 239 | P | A | -1.9878 | |
| 240 | A | A | 0.0000 | |
| 241 | R | A | -3.6024 | |
| 242 | K | A | -3.4348 | |
| 243 | S | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | K | A | -2.9230 | |
| 246 | R | A | -2.5045 | |
| 247 | L | A | 0.0000 | |
| 248 | T | A | -1.2343 | |
| 249 | G | A | -1.5349 | |
| 250 | W | A | -1.4290 | |
| 251 | A | A | -1.3813 | |
| 252 | D | A | -2.4709 | |
| 253 | V | A | 0.0000 | |
| 254 | S | A | -2.0397 | |
| 255 | D | A | -2.6955 | |
| 256 | A | A | -2.1705 | |
| 257 | L | A | 0.0000 | |
| 258 | A | A | -2.3154 | |
| 259 | E | A | -3.3513 | |
| 260 | L | A | 0.0000 | |
| 261 | K | A | -3.3627 | |
| 262 | D | A | -3.9759 | |
| 263 | E | A | 0.0000 | |
| 264 | K | A | -3.2695 | |
| 265 | R | A | -4.4762 | |
| 266 | K | A | -4.0332 | |
| 267 | L | A | -3.4334 | |
| 268 | E | A | -4.3904 | |
| 269 | R | A | -4.0298 | |
| 270 | E | A | -3.0773 | |
| 271 | R | A | -3.0349 | |
| 272 | P | A | -1.6424 | |
| 273 | L | A | -0.5573 | |
| 274 | S | A | 0.1728 | |
| 275 | L | A | 1.0922 | |
| 276 | L | A | 1.2801 | |
| 277 | Q | A | -0.3223 | |
| 278 | L | A | 0.0000 | |
| 279 | L | A | 0.1382 | |
| 280 | G | A | -0.6898 | |
| 281 | S | A | -1.3537 | |
| 282 | R | A | -2.5270 | |
| 283 | T | A | -1.8830 | |
| 284 | H | A | -1.6097 | |
| 285 | R | A | -1.9233 | |
| 286 | Q | A | -1.4558 | |
| 287 | P | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | I | A | 0.2593 | |
| 290 | I | A | 0.0000 | |
| 291 | A | A | 0.0000 | |
| 292 | V | A | 0.9877 | |
| 293 | V | A | 0.8984 | |
| 294 | L | A | 0.0000 | |
| 295 | Q | A | 0.0000 | |
| 296 | L | A | 0.6378 | |
| 297 | S | A | 0.0000 | |
| 298 | Q | A | 0.0000 | |
| 299 | Q | A | 0.2389 | |
| 300 | L | A | 0.6961 | |
| 301 | S | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | N | A | 0.4053 | |
| 305 | A | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | F | A | 1.5397 | |
| 308 | Y | A | 1.7006 | |
| 309 | Y | A | 1.0396 | |
| 310 | S | A | 0.0000 | |
| 311 | T | A | 0.2500 | |
| 312 | S | A | 0.0112 | |
| 313 | I | A | 0.0000 | |
| 314 | F | A | 0.0000 | |
| 315 | E | A | -1.7071 | |
| 316 | L | A | 0.5210 | |
| 317 | A | A | 0.2065 | |
| 318 | G | A | -0.9031 | |
| 319 | V | A | -1.1028 | |
| 320 | E | A | -2.3326 | |
| 321 | Q | A | -1.8925 | |
| 322 | P | A | -0.8856 | |
| 323 | A | A | -0.0057 | |
| 324 | Y | A | 0.9272 | |
| 325 | A | A | 0.2182 | |
| 326 | T | A | 0.8709 | |
| 327 | I | A | 1.2275 | |
| 328 | G | A | 0.8521 | |
| 329 | A | A | 0.0000 | |
| 330 | G | A | 1.4957 | |
| 331 | V | A | 1.8573 | |
| 332 | V | A | 1.6352 | |
| 333 | N | A | 0.0000 | |
| 334 | T | A | 0.0000 | |
| 335 | V | A | 2.6639 | |
| 336 | F | A | 2.2693 | |
| 337 | T | A | 0.0000 | |
| 338 | L | A | 2.2619 | |
| 339 | V | A | 2.1371 | |
| 340 | S | A | 0.0000 | |
| 341 | V | A | 1.4869 | |
| 342 | L | A | 1.4957 | |
| 343 | L | A | 0.6351 | |
| 344 | V | A | 0.0000 | |
| 345 | E | A | -1.0134 | |
| 346 | R | A | -1.7020 | |
| 347 | A | A | -0.9054 | |
| 348 | G | A | 0.0000 | |
| 349 | R | A | 0.0000 | |
| 350 | R | A | -0.7137 | |
| 351 | T | A | -0.0107 | |
| 352 | L | A | 0.0000 | |
| 353 | H | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | L | A | 0.7998 | |
| 356 | G | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | A | A | 0.7901 | |
| 359 | G | A | 0.2010 | |
| 360 | M | A | 0.0000 | |
| 361 | C | A | 1.2426 | |
| 362 | G | A | 0.3755 | |
| 363 | C | A | 1.0247 | |
| 364 | A | A | 0.0000 | |
| 365 | I | A | 2.2675 | |
| 366 | L | A | 2.0887 | |
| 367 | M | A | 0.0000 | |
| 368 | T | A | 0.0000 | |
| 369 | V | A | 2.6851 | |
| 370 | A | A | 0.0000 | |
| 371 | L | A | 0.9945 | |
| 372 | L | A | 1.0414 | |
| 373 | L | A | 0.2774 | |
| 374 | L | A | -0.0363 | |
| 375 | E | A | -2.2019 | |
| 376 | R | A | -2.1530 | |
| 377 | V | A | -0.6173 | |
| 378 | P | A | -0.2989 | |
| 379 | S | A | 0.2725 | |
| 380 | M | A | 1.1550 | |
| 381 | S | A | 0.0000 | |
| 382 | Y | A | 2.1390 | |
| 383 | V | A | 2.0934 | |
| 384 | S | A | 0.0000 | |
| 385 | I | A | 1.7378 | |
| 386 | V | A | 2.3810 | |
| 387 | A | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | F | A | 1.2668 | |
| 390 | G | A | 0.8688 | |
| 391 | F | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | A | A | 0.0000 | |
| 394 | F | A | 0.7690 | |
| 395 | F | A | 0.0000 | |
| 396 | E | A | 0.0000 | |
| 397 | I | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | P | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | P | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | P | A | 0.0000 | |
| 404 | W | A | 0.0000 | |
| 405 | F | A | 0.0000 | |
| 406 | I | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | A | A | 0.0000 | |
| 409 | E | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | F | A | 0.0000 | |
| 412 | S | A | -0.4623 | |
| 413 | Q | A | 0.0000 | |
| 414 | G | A | -0.7357 | |
| 415 | P | A | 0.0000 | |
| 416 | R | A | 0.0000 | |
| 417 | P | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | A | A | 0.0000 | |
| 420 | M | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | V | A | 0.8186 | |
| 423 | A | A | 0.0000 | |
| 424 | G | A | 0.0000 | |
| 425 | F | A | 1.4021 | |
| 426 | S | A | 0.5684 | |
| 427 | N | A | 0.0000 | |
| 428 | W | A | 0.0000 | |
| 429 | T | A | 1.0536 | |
| 430 | C | A | 0.0000 | |
| 431 | N | A | 0.6257 | |
| 432 | F | A | 1.5116 | |
| 433 | I | A | 2.2759 | |
| 434 | V | A | 0.0000 | |
| 435 | G | A | 0.7105 | |
| 436 | M | A | 1.6432 | |
| 437 | G | A | 1.1782 | |
| 438 | F | A | 0.0000 | |
| 439 | Q | A | 0.0748 | |
| 440 | Y | A | 0.8125 | |
| 441 | V | A | 0.5744 | |
| 442 | A | A | -0.0074 | |
| 443 | D | A | -1.2674 | |
| 444 | A | A | -0.1163 | |
| 445 | M | A | 0.5411 | |
| 446 | G | A | 0.1011 | |
| 447 | P | A | 1.0095 | |
| 448 | Y | A | 2.0100 | |
| 449 | V | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | L | A | 2.3372 | |
| 452 | L | A | 2.0331 | |
| 453 | F | A | 0.0000 | |
| 454 | A | A | 0.0000 | |
| 455 | V | A | 2.9324 | |
| 456 | L | A | 2.2117 | |
| 457 | L | A | 0.0000 | |
| 458 | L | A | 2.5686 | |
| 459 | G | A | 1.8327 | |
| 460 | F | A | 2.0561 | |
| 461 | F | A | 2.6049 | |
| 462 | I | A | 2.6581 | |
| 463 | F | A | 1.7702 | |
| 464 | T | A | 0.0000 | |
| 465 | F | A | 2.3581 | |
| 466 | L | A | 1.9730 | |
| 467 | R | A | -0.3571 | |
| 468 | V | A | 0.0000 | |
| 469 | P | A | -0.4971 | |
| 470 | E | A | -1.3179 | |
| 471 | T | A | 0.0000 | |
| 472 | R | A | -1.9949 | |
| 473 | G | A | -1.5433 | |
| 474 | R | A | -1.5571 | |
| 475 | T | A | -1.2634 | |
| 476 | F | A | 0.0000 | |
| 477 | D | A | -1.5860 | |
| 478 | Q | A | -1.3365 | |
| 479 | I | A | 0.0000 | |
| 480 | S | A | -1.1126 | |
| 481 | A | A | -1.4969 | |
| 482 | T | A | -1.3436 | |
| 483 | F | A | -1.6417 | |
| 484 | R | A | -2.7441 | |
| 485 | R | A | -2.7500 | |
| 486 | T | A | -1.5706 | |
| 487 | P | A | -1.2105 | |
| 488 | S | A | -0.3888 | |
| 489 | L | A | 1.0395 | |
| 490 | L | A | 0.6217 | |
| 491 | E | A | -1.5543 | |
| 492 | Q | A | -1.8512 | |
| 493 | E | A | -1.8386 | |
| 494 | V | A | -0.4895 | |
| 495 | K | A | -1.9770 | |
| 496 | P | A | -1.2190 | |
| 497 | S | A | -1.2062 | |
| 498 | T | A | -1.1097 | |
| 499 | E | A | -1.1025 | |
| 500 | L | A | 0.5852 | |
| 501 | E | A | -0.6657 | |
| 502 | Y | A | 0.8121 | |
| 503 | L | A | 1.2381 | |
| 504 | G | A | -0.2486 | |
| 505 | P | A | -1.3874 | |
| 506 | D | A | -3.1602 | |
| 507 | E | A | -3.8400 | |
| 508 | N | A | -3.5988 | |
| 509 | D | A | -3.0801 |
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 | 0.2532 | 5.2399 | View | CSV | PDB |
| 4.5 | 0.213 | 5.2399 | View | CSV | PDB |
| 5.0 | 0.1608 | 5.2399 | View | CSV | PDB |
| 5.5 | 0.1043 | 5.2399 | View | CSV | PDB |
| 6.0 | 0.0515 | 5.2399 | View | CSV | PDB |
| 6.5 | 0.0097 | 5.2399 | View | CSV | PDB |
| 7.0 | -0.0169 | 5.2399 | View | CSV | PDB |
| 7.5 | -0.0309 | 5.2399 | View | CSV | PDB |
| 8.0 | -0.0373 | 5.2399 | View | CSV | PDB |
| 8.5 | -0.0386 | 5.2399 | View | CSV | PDB |
| 9.0 | -0.0351 | 5.2399 | 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