| Chain sequence(s) | MALSDLVLLRWLRDSRHSRKLILFIVFLALLLDNMLLTVVVPIIPSYLYSIKHEKNSTEIQTTRPELVVSTSESIFSYYNNSTVLITGNATGTLPGGQSHKATSTQHTVANTTVPSDCPSEDRDLLNENVQVGLLFASKATVQLLTNPFIGLLTNRIGYPIPMFAGFCIMFISTVMFAFSSSYAFLLIARSLQGIGSSCSSVAGMGMLASVYTDDEERGKPMGIALGGLAMGVLVGPPFGSVLYEFVGKTAPFLVLAALVLLDGAIQLFVLQPSRVQPESQKGTPLTTLLKDPYILIAAGSICFANMGIAMLEPALPIWMMETMCSRKWQLGVAFLPASISYLIGTNIFGILAHKMGRWLCALLGMVIVGISILCIPFAKNIYGLIAPNFGVGFAIGMVDSSMMPIMGYLVDLRHVSVYGSVYAIADVAFCMGYAIGPSAGGAIAKAIGFPWLMTIIGIIDIAFAPLCFFLRSPPAKEEKMAILMDHNCPIKRKMYTQNNVQSYPIGDDEESESD 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/644440e3deafa0/tmp/folded.pdb (00:10:07)
[INFO] Main: Simulation completed successfully. (00:16:19)
|
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 | 1.1530 | |
| 2 | A | A | 1.1253 | |
| 3 | L | A | 2.1794 | |
| 4 | S | A | 1.0593 | |
| 5 | D | A | 0.1589 | |
| 6 | L | A | 1.6089 | |
| 7 | V | A | 1.9742 | |
| 8 | L | A | 1.0853 | |
| 9 | L | A | 0.0876 | |
| 10 | R | A | -1.6271 | |
| 11 | W | A | -0.3838 | |
| 12 | L | A | 0.0000 | |
| 13 | R | A | -3.2234 | |
| 14 | D | A | -3.4524 | |
| 15 | S | A | -2.8952 | |
| 16 | R | A | -3.6960 | |
| 17 | H | A | -2.8118 | |
| 18 | S | A | -2.3732 | |
| 19 | R | A | -1.7916 | |
| 20 | K | A | -2.0498 | |
| 21 | L | A | 0.0000 | |
| 22 | I | A | -0.5366 | |
| 23 | L | A | 0.0000 | |
| 24 | F | A | 0.6966 | |
| 25 | I | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | F | A | 1.0989 | |
| 28 | L | A | 0.8172 | |
| 29 | A | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | L | A | 0.6328 | |
| 32 | L | A | 0.0000 | |
| 33 | D | A | 0.0000 | |
| 34 | N | A | 0.0000 | |
| 35 | M | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | T | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | V | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | P | A | 0.0090 | |
| 43 | I | A | 0.0000 | |
| 44 | I | A | 0.0000 | |
| 45 | P | A | 0.0261 | |
| 46 | S | A | -0.2003 | |
| 47 | Y | A | -0.0694 | |
| 48 | L | A | 0.0000 | |
| 49 | Y | A | -0.3243 | |
| 50 | S | A | -1.0183 | |
| 51 | I | A | -1.3769 | |
| 52 | K | A | -2.2432 | |
| 53 | H | A | -2.8407 | |
| 54 | E | A | -3.6391 | |
| 55 | K | A | -3.6899 | |
| 56 | N | A | -2.9777 | |
| 57 | S | A | -2.3630 | |
| 58 | T | A | -2.3317 | |
| 59 | E | A | -2.7659 | |
| 60 | I | A | -0.7530 | |
| 61 | Q | A | -1.7288 | |
| 62 | T | A | -1.3687 | |
| 63 | T | A | -1.3344 | |
| 64 | R | A | -2.4037 | |
| 65 | P | A | -1.8451 | |
| 66 | E | A | -0.9886 | |
| 67 | L | A | 1.5477 | |
| 68 | V | A | 2.9060 | |
| 69 | V | A | 2.5890 | |
| 70 | S | A | 0.9914 | |
| 71 | T | A | -0.1128 | |
| 72 | S | A | -0.3255 | |
| 73 | E | A | -0.8237 | |
| 74 | S | A | 1.2643 | |
| 75 | I | A | 3.0670 | |
| 76 | F | A | 2.9391 | |
| 77 | S | A | 1.9002 | |
| 78 | Y | A | 1.9418 | |
| 79 | Y | A | 1.2021 | |
| 80 | N | A | -0.7609 | |
| 81 | N | A | -1.0534 | |
| 82 | S | A | -0.0159 | |
| 83 | T | A | 1.5185 | |
| 84 | V | A | 3.3520 | |
| 85 | L | A | 3.2016 | |
| 86 | I | A | 2.8012 | |
| 87 | T | A | 0.9410 | |
| 88 | G | A | -0.3801 | |
| 89 | N | A | -1.3176 | |
| 90 | A | A | -0.8230 | |
| 91 | T | A | -0.6305 | |
| 92 | G | A | -0.3623 | |
| 93 | T | A | 0.4003 | |
| 94 | L | A | 1.2035 | |
| 95 | P | A | 0.1816 | |
| 96 | G | A | -0.7652 | |
| 97 | G | A | -1.3810 | |
| 98 | Q | A | -2.0312 | |
| 99 | S | A | -1.8607 | |
| 100 | H | A | -2.1757 | |
| 101 | K | A | -2.3657 | |
| 102 | A | A | -1.1331 | |
| 103 | T | A | -0.7833 | |
| 104 | S | A | -0.8783 | |
| 105 | T | A | -1.0693 | |
| 106 | Q | A | -1.5602 | |
| 107 | H | A | -1.1087 | |
| 108 | T | A | -0.1995 | |
| 109 | V | A | 1.0179 | |
| 110 | A | A | 0.1188 | |
| 111 | N | A | -0.6820 | |
| 112 | T | A | -0.0067 | |
| 113 | T | A | 0.2589 | |
| 114 | V | A | 1.1242 | |
| 115 | P | A | 0.0396 | |
| 116 | S | A | -0.6949 | |
| 117 | D | A | -1.8579 | |
| 118 | C | A | -1.2581 | |
| 119 | P | A | -1.5341 | |
| 120 | S | A | -2.4170 | |
| 121 | E | A | -2.9902 | |
| 122 | D | A | -3.8411 | |
| 123 | R | A | -3.7051 | |
| 124 | D | A | -2.8960 | |
| 125 | L | A | -1.9349 | |
| 126 | L | A | -1.9113 | |
| 127 | N | A | -2.0016 | |
| 128 | E | A | -0.6483 | |
| 129 | N | A | 0.0000 | |
| 130 | V | A | 0.8671 | |
| 131 | Q | A | 0.3261 | |
| 132 | V | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | L | A | 1.3070 | |
| 135 | L | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | S | A | 0.6543 | |
| 139 | K | A | 0.0000 | |
| 140 | A | A | 0.0000 | |
| 141 | T | A | 1.0371 | |
| 142 | V | A | 1.1444 | |
| 143 | Q | A | 0.0000 | |
| 144 | L | A | 1.5740 | |
| 145 | L | A | 2.2389 | |
| 146 | T | A | 1.6634 | |
| 147 | N | A | 0.0000 | |
| 148 | P | A | 1.4682 | |
| 149 | F | A | 2.4548 | |
| 150 | I | A | 0.0000 | |
| 151 | G | A | 0.0000 | |
| 152 | L | A | 0.9271 | |
| 153 | L | A | 0.5952 | |
| 154 | T | A | 0.0000 | |
| 155 | N | A | -1.8279 | |
| 156 | R | A | -2.4503 | |
| 157 | I | A | -0.7083 | |
| 158 | G | A | 0.0000 | |
| 159 | Y | A | 0.2052 | |
| 160 | P | A | 0.1003 | |
| 161 | I | A | 0.4643 | |
| 162 | P | A | 0.0000 | |
| 163 | M | A | 0.0000 | |
| 164 | F | A | 0.7030 | |
| 165 | A | A | 0.6316 | |
| 166 | G | A | 0.0000 | |
| 167 | F | A | 0.0000 | |
| 168 | C | A | 1.4561 | |
| 169 | I | A | 1.7276 | |
| 170 | M | A | 0.0000 | |
| 171 | F | A | 2.1849 | |
| 172 | I | A | 2.8018 | |
| 173 | S | A | 0.0000 | |
| 174 | T | A | 0.0000 | |
| 175 | V | A | 2.0480 | |
| 176 | M | A | 2.1184 | |
| 177 | F | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | F | A | 2.0902 | |
| 180 | S | A | 0.0000 | |
| 181 | S | A | 0.6503 | |
| 182 | S | A | 0.7060 | |
| 183 | Y | A | 0.8909 | |
| 184 | A | A | 1.2927 | |
| 185 | F | A | 2.3940 | |
| 186 | L | A | 0.0000 | |
| 187 | L | A | 1.6879 | |
| 188 | I | A | 2.2016 | |
| 189 | A | A | 0.0000 | |
| 190 | R | A | 0.0000 | |
| 191 | S | A | 1.1436 | |
| 192 | L | A | 1.5783 | |
| 193 | Q | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | I | A | 1.1765 | |
| 196 | G | A | 0.0000 | |
| 197 | S | A | 0.0000 | |
| 198 | S | A | 0.0000 | |
| 199 | C | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | S | A | 0.0426 | |
| 202 | V | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | G | A | 0.0000 | |
| 207 | M | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | A | A | 0.0000 | |
| 210 | S | A | -0.0766 | |
| 211 | V | A | -0.2737 | |
| 212 | Y | A | 0.0000 | |
| 213 | T | A | -1.3921 | |
| 214 | D | A | -2.8491 | |
| 215 | D | A | -2.6187 | |
| 216 | E | A | -3.4536 | |
| 217 | E | A | -3.0806 | |
| 218 | R | A | 0.0000 | |
| 219 | G | A | 0.0000 | |
| 220 | K | A | -1.8785 | |
| 221 | P | A | 0.0000 | |
| 222 | M | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | I | A | 0.4960 | |
| 225 | A | A | 0.0000 | |
| 226 | L | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | G | A | 0.0000 | |
| 229 | L | A | 0.6596 | |
| 230 | A | A | 0.0000 | |
| 231 | M | A | 0.9381 | |
| 232 | G | A | 0.0000 | |
| 233 | V | A | 0.8575 | |
| 234 | L | A | 1.1888 | |
| 235 | V | A | 1.0524 | |
| 236 | G | A | 0.0000 | |
| 237 | P | A | 0.0000 | |
| 238 | P | A | 0.9395 | |
| 239 | F | A | 0.7831 | |
| 240 | G | A | 0.0000 | |
| 241 | S | A | 0.2224 | |
| 242 | V | A | 1.3189 | |
| 243 | L | A | 1.2947 | |
| 244 | Y | A | 0.2534 | |
| 245 | E | A | -0.2948 | |
| 246 | F | A | 2.0628 | |
| 247 | V | A | 2.1168 | |
| 248 | G | A | 0.1977 | |
| 249 | K | A | -1.0152 | |
| 250 | T | A | 0.3406 | |
| 251 | A | A | 0.6577 | |
| 252 | P | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | L | A | 1.5770 | |
| 255 | V | A | 1.8189 | |
| 256 | L | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | A | A | 1.7340 | |
| 259 | L | A | 1.7933 | |
| 260 | V | A | 0.0000 | |
| 261 | L | A | 2.4350 | |
| 262 | L | A | 2.2575 | |
| 263 | D | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | A | A | 1.4943 | |
| 266 | I | A | 1.3117 | |
| 267 | Q | A | 0.0000 | |
| 268 | L | A | 1.2131 | |
| 269 | F | A | 0.4483 | |
| 270 | V | A | 0.0000 | |
| 271 | L | A | -0.3889 | |
| 272 | Q | A | -0.9716 | |
| 273 | P | A | -0.3772 | |
| 274 | S | A | -1.0029 | |
| 275 | R | A | -1.5892 | |
| 276 | V | A | -0.2842 | |
| 277 | Q | A | -1.7490 | |
| 278 | P | A | -2.0692 | |
| 279 | E | A | -3.4705 | |
| 280 | S | A | -2.5306 | |
| 281 | Q | A | -2.8751 | |
| 282 | K | A | -2.9542 | |
| 283 | G | A | -1.5017 | |
| 284 | T | A | -0.5144 | |
| 285 | P | A | -0.1526 | |
| 286 | L | A | 0.2478 | |
| 287 | T | A | -0.2461 | |
| 288 | T | A | -0.4529 | |
| 289 | L | A | 0.0000 | |
| 290 | L | A | 0.0748 | |
| 291 | K | A | -1.2318 | |
| 292 | D | A | 0.0000 | |
| 293 | P | A | 0.1608 | |
| 294 | Y | A | 0.4687 | |
| 295 | I | A | 0.0000 | |
| 296 | L | A | 0.7494 | |
| 297 | I | A | 1.2535 | |
| 298 | A | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | G | A | 0.6270 | |
| 301 | S | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | C | A | 0.6757 | |
| 304 | F | A | 0.8915 | |
| 305 | A | A | 0.0000 | |
| 306 | N | A | 0.0000 | |
| 307 | M | A | 0.0000 | |
| 308 | G | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | M | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | E | A | 0.0000 | |
| 314 | P | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | P | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | W | A | -0.3882 | |
| 320 | M | A | 0.0000 | |
| 321 | M | A | -0.8865 | |
| 322 | E | A | -2.0264 | |
| 323 | T | A | -1.0376 | |
| 324 | M | A | -0.8477 | |
| 325 | C | A | -0.6297 | |
| 326 | S | A | -1.1300 | |
| 327 | R | A | -2.1469 | |
| 328 | K | A | -2.0611 | |
| 329 | W | A | -0.2811 | |
| 330 | Q | A | -0.5884 | |
| 331 | L | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | V | A | 0.7553 | |
| 334 | A | A | 0.0000 | |
| 335 | F | A | 0.0000 | |
| 336 | L | A | 1.2409 | |
| 337 | P | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | I | A | 1.7363 | |
| 341 | S | A | 0.0000 | |
| 342 | Y | A | 0.0000 | |
| 343 | L | A | 1.2303 | |
| 344 | I | A | 1.2401 | |
| 345 | G | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | N | A | 0.1029 | |
| 348 | I | A | 1.1332 | |
| 349 | F | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | I | A | -0.1070 | |
| 352 | L | A | 0.2288 | |
| 353 | A | A | 0.0000 | |
| 354 | H | A | -1.5296 | |
| 355 | K | A | -1.6457 | |
| 356 | M | A | -0.2978 | |
| 357 | G | A | -0.7578 | |
| 358 | R | A | -0.4884 | |
| 359 | W | A | 0.5614 | |
| 360 | L | A | 0.6847 | |
| 361 | C | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | L | A | 1.4116 | |
| 364 | L | A | 1.3539 | |
| 365 | G | A | 0.0000 | |
| 366 | M | A | 0.0000 | |
| 367 | V | A | 2.0893 | |
| 368 | I | A | 2.0641 | |
| 369 | V | A | 0.0000 | |
| 370 | G | A | 0.0000 | |
| 371 | I | A | 2.4479 | |
| 372 | S | A | 0.0000 | |
| 373 | I | A | 0.0000 | |
| 374 | L | A | 1.7546 | |
| 375 | C | A | 1.2624 | |
| 376 | I | A | 0.0000 | |
| 377 | P | A | 0.8151 | |
| 378 | F | A | 1.3620 | |
| 379 | A | A | 0.0000 | |
| 380 | K | A | -1.6684 | |
| 381 | N | A | -1.3103 | |
| 382 | I | A | 0.0000 | |
| 383 | Y | A | 0.8565 | |
| 384 | G | A | 0.2274 | |
| 385 | L | A | 0.0000 | |
| 386 | I | A | 1.5540 | |
| 387 | A | A | 0.9866 | |
| 388 | P | A | 1.1435 | |
| 389 | N | A | 0.0000 | |
| 390 | F | A | 1.4449 | |
| 391 | G | A | 1.1063 | |
| 392 | V | A | 0.0000 | |
| 393 | G | A | 0.0000 | |
| 394 | F | A | 1.3059 | |
| 395 | A | A | 0.0000 | |
| 396 | I | A | 0.0000 | |
| 397 | G | A | 0.0000 | |
| 398 | M | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | D | A | 0.0000 | |
| 401 | S | A | 0.0000 | |
| 402 | S | A | 0.0000 | |
| 403 | M | A | 0.0000 | |
| 404 | M | A | 0.0000 | |
| 405 | P | A | 0.0000 | |
| 406 | I | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | G | A | 0.0000 | |
| 409 | Y | A | -0.3300 | |
| 410 | L | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | D | A | -0.4990 | |
| 413 | L | A | -0.2968 | |
| 414 | R | A | -1.0472 | |
| 415 | H | A | -0.2631 | |
| 416 | V | A | -0.1800 | |
| 417 | S | A | -0.3229 | |
| 418 | V | A | -0.3067 | |
| 419 | Y | A | 0.0000 | |
| 420 | G | A | 0.0000 | |
| 421 | S | A | 0.0000 | |
| 422 | V | A | 0.0000 | |
| 423 | Y | A | 0.0000 | |
| 424 | A | A | 0.0000 | |
| 425 | I | A | 0.0000 | |
| 426 | A | A | 0.0000 | |
| 427 | D | A | 0.0000 | |
| 428 | V | A | 0.8571 | |
| 429 | A | A | 0.0000 | |
| 430 | F | A | 0.5982 | |
| 431 | C | A | 0.0000 | |
| 432 | M | A | 1.1787 | |
| 433 | G | A | 0.0000 | |
| 434 | Y | A | 0.0000 | |
| 435 | A | A | 0.9173 | |
| 436 | I | A | 1.2733 | |
| 437 | G | A | 0.0000 | |
| 438 | P | A | 0.0000 | |
| 439 | S | A | 0.8160 | |
| 440 | A | A | 0.5336 | |
| 441 | G | A | 0.0000 | |
| 442 | G | A | 0.0000 | |
| 443 | A | A | 0.0829 | |
| 444 | I | A | 0.6276 | |
| 445 | A | A | 0.0951 | |
| 446 | K | A | -1.0403 | |
| 447 | A | A | 0.2636 | |
| 448 | I | A | 1.4611 | |
| 449 | G | A | 0.5298 | |
| 450 | F | A | 0.0000 | |
| 451 | P | A | 1.0036 | |
| 452 | W | A | 1.7093 | |
| 453 | L | A | 0.0000 | |
| 454 | M | A | 0.0000 | |
| 455 | T | A | 1.5271 | |
| 456 | I | A | 1.7659 | |
| 457 | I | A | 0.0000 | |
| 458 | G | A | 0.0000 | |
| 459 | I | A | 2.9132 | |
| 460 | I | A | 2.2329 | |
| 461 | D | A | 0.0000 | |
| 462 | I | A | 2.2047 | |
| 463 | A | A | 1.3308 | |
| 464 | F | A | 1.2039 | |
| 465 | A | A | 0.0000 | |
| 466 | P | A | 1.2241 | |
| 467 | L | A | 1.7216 | |
| 468 | C | A | 0.0000 | |
| 469 | F | A | 2.2042 | |
| 470 | F | A | 2.2447 | |
| 471 | L | A | 0.0000 | |
| 472 | R | A | -0.8030 | |
| 473 | S | A | -0.4791 | |
| 474 | P | A | -0.3614 | |
| 475 | P | A | -0.9676 | |
| 476 | A | A | -1.2872 | |
| 477 | K | A | -2.5392 | |
| 478 | E | A | -2.7695 | |
| 479 | E | A | -2.3339 | |
| 480 | K | A | -1.0544 | |
| 481 | M | A | -0.3099 | |
| 482 | A | A | -0.0849 | |
| 483 | I | A | 1.0792 | |
| 484 | L | A | 1.1822 | |
| 485 | M | A | 0.6959 | |
| 486 | D | A | -0.6542 | |
| 487 | H | A | -0.5626 | |
| 488 | N | A | -0.8677 | |
| 489 | C | A | -0.1630 | |
| 490 | P | A | -0.3775 | |
| 491 | I | A | -0.0204 | |
| 492 | K | A | -1.9429 | |
| 493 | R | A | -2.5261 | |
| 494 | K | A | -1.9650 | |
| 495 | M | A | -0.1037 | |
| 496 | Y | A | 0.5859 | |
| 497 | T | A | -0.4592 | |
| 498 | Q | A | -1.4230 | |
| 499 | N | A | -1.9538 | |
| 500 | N | A | -1.6243 | |
| 501 | V | A | 0.0798 | |
| 502 | Q | A | -0.4613 | |
| 503 | S | A | 0.1613 | |
| 504 | Y | A | 1.2626 | |
| 505 | P | A | 1.3060 | |
| 506 | I | A | 1.5426 | |
| 507 | G | A | -0.7735 | |
| 508 | D | A | -2.8334 | |
| 509 | D | A | -4.0620 | |
| 510 | E | A | -4.0802 | |
| 511 | E | A | -3.5849 | |
| 512 | S | A | -2.6285 | |
| 513 | E | A | -2.8372 | |
| 514 | S | A | -2.0093 | |
| 515 | D | A | -2.2732 |
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 | 0.2193 | 5.2654 | View | CSV | PDB |
| 4.5 | 0.1775 | 5.2654 | View | CSV | PDB |
| 5.0 | 0.1251 | 5.2654 | View | CSV | PDB |
| 5.5 | 0.0734 | 5.2654 | View | CSV | PDB |
| 6.0 | 0.0342 | 5.2654 | View | CSV | PDB |
| 6.5 | 0.014 | 5.2654 | View | CSV | PDB |
| 7.0 | 0.0116 | 5.2654 | View | CSV | PDB |
| 7.5 | 0.0215 | 5.2654 | View | CSV | PDB |
| 8.0 | 0.0383 | 5.2654 | View | CSV | PDB |
| 8.5 | 0.0599 | 5.2654 | View | CSV | PDB |
| 9.0 | 0.0866 | 5.2654 | 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