| Chain sequence(s) |
A: MNKTIAVIGAGLSGIAAVKQLTDGGHEVTCFEKAESFGGSFADKKIYDDLHLTISNYFMAYSDYVPNHQKLKFWSKKEYINYLGEYIQRFDIAKHIHYDHEVRRVEKQGDKWIVTCKSGGKEHSKEFDMVAVCSGHFQKPKLPDLPGLDMFDGEIEHSNDYRDKHKYTGKRVLCVGLGESSADITSEISEVARKCILSLRRYPAVAPRDMADQEDPYFTIDTSWLTSRIVNKLPHKYHGGITKGIFNKYVNSRNDHVRIRGEWLKKSGPSHHQAVTKNERLFRPIADGKVMPNIGGIERFEKNSVVFKDGTREEVDAVVFCTGYQLSFPFLDVSISNMRDLFKQMFIPEMGHSLSFIGFVRPQQGGIPVIAEMQCRYLSKLASGEAQLPTLSEMHDVVKHDTKHWQTEYKITPHVASLVNYCHYMDSMAKLVGCMPQIPSRDKDPLLRVKLLHNPQFAAQYRLDGPNNMTHTAREFLLSFPNISSYPRIEHFERALATQKLRSRLRLDGLREISK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:15)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/47f32490980b17e/tmp/folded.pdb (00:16:15)
[INFO] Main: Simulation completed successfully. (00:24:10)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.0980 | |
| 2 | N | A | -1.2755 | |
| 3 | K | A | -1.4239 | |
| 4 | T | A | -1.8050 | |
| 5 | I | A | 0.0000 | |
| 6 | A | A | 0.0000 | |
| 7 | V | A | 0.0000 | |
| 8 | I | A | 0.0000 | |
| 9 | G | A | -0.5422 | |
| 10 | A | A | 0.0000 | |
| 11 | G | A | -0.0377 | |
| 12 | L | A | 0.2393 | |
| 13 | S | A | 0.0000 | |
| 14 | G | A | 0.0000 | |
| 15 | I | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | A | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -0.7423 | |
| 20 | Q | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | T | A | -1.4654 | |
| 23 | D | A | -1.8009 | |
| 24 | G | A | -1.5116 | |
| 25 | G | A | -1.5458 | |
| 26 | H | A | 0.0000 | |
| 27 | E | A | -2.4903 | |
| 28 | V | A | 0.0000 | |
| 29 | T | A | 0.0000 | |
| 30 | C | A | 0.0000 | |
| 31 | F | A | 0.0000 | |
| 32 | E | A | 0.0000 | |
| 33 | K | A | -3.3497 | |
| 34 | A | A | -2.4431 | |
| 35 | E | A | -2.7311 | |
| 36 | S | A | -1.3948 | |
| 37 | F | A | -0.3316 | |
| 38 | G | A | 0.0000 | |
| 39 | G | A | -0.2535 | |
| 40 | S | A | -0.4221 | |
| 41 | F | A | -0.6425 | |
| 42 | A | A | -1.1237 | |
| 43 | D | A | -1.8067 | |
| 44 | K | A | -2.7870 | |
| 45 | K | A | -2.8622 | |
| 46 | I | A | -1.8119 | |
| 47 | Y | A | -1.9874 | |
| 48 | D | A | -3.1502 | |
| 49 | D | A | -2.8498 | |
| 50 | L | A | -1.7031 | |
| 51 | H | A | -1.6879 | |
| 52 | L | A | 0.0000 | |
| 53 | T | A | -0.4253 | |
| 54 | I | A | 0.0674 | |
| 55 | S | A | 0.0000 | |
| 56 | N | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | F | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | Y | A | 0.0000 | |
| 62 | S | A | 0.0000 | |
| 63 | D | A | -0.3140 | |
| 64 | Y | A | -0.4329 | |
| 65 | V | A | -0.4131 | |
| 66 | P | A | -1.2624 | |
| 67 | N | A | -2.4180 | |
| 68 | H | A | -2.2141 | |
| 69 | Q | A | -2.3556 | |
| 70 | K | A | -2.5421 | |
| 71 | L | A | -1.3627 | |
| 72 | K | A | -1.4085 | |
| 73 | F | A | -0.7509 | |
| 74 | W | A | 0.0000 | |
| 75 | S | A | -1.8255 | |
| 76 | K | A | 0.0000 | |
| 77 | K | A | -2.7932 | |
| 78 | E | A | -1.9852 | |
| 79 | Y | A | 0.0000 | |
| 80 | I | A | -1.2607 | |
| 81 | N | A | -2.3262 | |
| 82 | Y | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | G | A | -1.9390 | |
| 85 | E | A | -3.1619 | |
| 86 | Y | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | Q | A | -3.3961 | |
| 89 | R | A | -3.2525 | |
| 90 | F | A | -2.1410 | |
| 91 | D | A | -3.1430 | |
| 92 | I | A | 0.0000 | |
| 93 | A | A | -1.7959 | |
| 94 | K | A | -2.3119 | |
| 95 | H | A | -1.5219 | |
| 96 | I | A | 0.0000 | |
| 97 | H | A | -1.5458 | |
| 98 | Y | A | -1.8498 | |
| 99 | D | A | -3.4241 | |
| 100 | H | A | -3.0135 | |
| 101 | E | A | -2.9448 | |
| 102 | V | A | 0.0000 | |
| 103 | R | A | -2.9157 | |
| 104 | R | A | -2.9834 | |
| 105 | V | A | 0.0000 | |
| 106 | E | A | -3.4152 | |
| 107 | K | A | -3.9641 | |
| 108 | Q | A | -3.3130 | |
| 109 | G | A | -2.6918 | |
| 110 | D | A | -3.2620 | |
| 111 | K | A | -3.6313 | |
| 112 | W | A | 0.0000 | |
| 113 | I | A | -2.4076 | |
| 114 | V | A | 0.0000 | |
| 115 | T | A | -2.5096 | |
| 116 | C | A | 0.0000 | |
| 117 | K | A | -3.7955 | |
| 118 | S | A | -2.8633 | |
| 119 | G | A | -2.0380 | |
| 120 | G | A | -2.1031 | |
| 121 | K | A | -3.3591 | |
| 122 | E | A | -3.7640 | |
| 123 | H | A | -2.5622 | |
| 124 | S | A | -2.1169 | |
| 125 | K | A | -1.9576 | |
| 126 | E | A | -3.0271 | |
| 127 | F | A | 0.0000 | |
| 128 | D | A | -2.3577 | |
| 129 | M | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | C | A | 0.0000 | |
| 134 | S | A | -0.2787 | |
| 135 | G | A | -0.0385 | |
| 136 | H | A | -0.1902 | |
| 137 | F | A | 0.8278 | |
| 138 | Q | A | -0.4976 | |
| 139 | K | A | -1.0957 | |
| 140 | P | A | -0.8195 | |
| 141 | K | A | -0.8518 | |
| 142 | L | A | 0.1777 | |
| 143 | P | A | -0.4952 | |
| 144 | D | A | -1.8633 | |
| 145 | L | A | -1.4427 | |
| 146 | P | A | -1.5456 | |
| 147 | G | A | -1.5679 | |
| 148 | L | A | 0.0000 | |
| 149 | D | A | -2.2630 | |
| 150 | M | A | -1.4151 | |
| 151 | F | A | 0.0000 | |
| 152 | D | A | -2.9142 | |
| 153 | G | A | -2.2760 | |
| 154 | E | A | -1.8799 | |
| 155 | I | A | -0.4704 | |
| 156 | E | A | -0.8565 | |
| 157 | H | A | 0.0000 | |
| 158 | S | A | -1.0883 | |
| 159 | N | A | -1.4798 | |
| 160 | D | A | -2.2152 | |
| 161 | Y | A | 0.0000 | |
| 162 | R | A | -2.4349 | |
| 163 | D | A | -2.2150 | |
| 164 | K | A | -2.3410 | |
| 165 | H | A | -2.6119 | |
| 166 | K | A | -2.6676 | |
| 167 | Y | A | 0.0000 | |
| 168 | T | A | -1.8303 | |
| 169 | G | A | -1.7810 | |
| 170 | K | A | -1.8049 | |
| 171 | R | A | -1.8631 | |
| 172 | V | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | C | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | G | A | -0.4123 | |
| 177 | L | A | -0.2882 | |
| 178 | G | A | -0.3160 | |
| 179 | E | A | -0.7373 | |
| 180 | S | A | -0.4216 | |
| 181 | S | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | D | A | -0.8572 | |
| 184 | I | A | 0.0000 | |
| 185 | T | A | 0.0000 | |
| 186 | S | A | 0.0000 | |
| 187 | E | A | -1.2887 | |
| 188 | I | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | E | A | -2.5266 | |
| 191 | V | A | -1.9431 | |
| 192 | A | A | -2.3580 | |
| 193 | R | A | -2.7819 | |
| 194 | K | A | -2.3453 | |
| 195 | C | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | S | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | R | A | -2.0956 | |
| 201 | R | A | -1.4234 | |
| 202 | Y | A | -1.0072 | |
| 203 | P | A | -0.4867 | |
| 204 | A | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | A | A | -0.3794 | |
| 207 | P | A | 0.0000 | |
| 208 | R | A | -1.1945 | |
| 209 | D | A | -2.2863 | |
| 210 | M | A | -1.6817 | |
| 211 | A | A | -1.7330 | |
| 212 | D | A | -2.8629 | |
| 213 | Q | A | -2.6811 | |
| 214 | E | A | -2.8118 | |
| 215 | D | A | -1.7766 | |
| 216 | P | A | -1.4332 | |
| 217 | Y | A | -0.8691 | |
| 218 | F | A | -0.7026 | |
| 219 | T | A | 0.0000 | |
| 220 | I | A | 0.0000 | |
| 221 | D | A | 0.0000 | |
| 222 | T | A | 0.0000 | |
| 223 | S | A | 0.0000 | |
| 224 | W | A | 0.0000 | |
| 225 | L | A | 0.2407 | |
| 226 | T | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | R | A | 0.0000 | |
| 229 | I | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | N | A | 0.0000 | |
| 232 | K | A | -1.0354 | |
| 233 | L | A | 0.0000 | |
| 234 | P | A | -0.8762 | |
| 235 | H | A | -1.1393 | |
| 236 | K | A | -1.7040 | |
| 237 | Y | A | -0.5019 | |
| 238 | H | A | 0.0000 | |
| 239 | G | A | -1.3078 | |
| 240 | G | A | -1.1800 | |
| 241 | I | A | -0.2865 | |
| 242 | T | A | -0.7993 | |
| 243 | K | A | -2.0520 | |
| 244 | G | A | -1.3873 | |
| 245 | I | A | -0.7504 | |
| 246 | F | A | -1.3476 | |
| 247 | N | A | -1.8462 | |
| 248 | K | A | -2.1429 | |
| 249 | Y | A | 0.0000 | |
| 250 | V | A | -2.0793 | |
| 251 | N | A | -2.6240 | |
| 252 | S | A | -2.7981 | |
| 253 | R | A | -3.2761 | |
| 254 | N | A | -2.9247 | |
| 255 | D | A | -3.2092 | |
| 256 | H | A | -2.4474 | |
| 257 | V | A | -2.0390 | |
| 258 | R | A | -2.5802 | |
| 259 | I | A | -1.4475 | |
| 260 | R | A | 0.0000 | |
| 261 | G | A | 0.0000 | |
| 262 | E | A | -2.6939 | |
| 263 | W | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | K | A | -2.9594 | |
| 266 | K | A | -2.9886 | |
| 267 | S | A | 0.0000 | |
| 268 | G | A | -1.1868 | |
| 269 | P | A | -0.8344 | |
| 270 | S | A | -0.4152 | |
| 271 | H | A | -0.4452 | |
| 272 | H | A | -0.6839 | |
| 273 | Q | A | 0.0000 | |
| 274 | A | A | -0.1636 | |
| 275 | V | A | 0.0639 | |
| 276 | T | A | 0.0000 | |
| 277 | K | A | 0.0000 | |
| 278 | N | A | 0.0000 | |
| 279 | E | A | -1.5011 | |
| 280 | R | A | -1.6809 | |
| 281 | L | A | 0.0000 | |
| 282 | F | A | 0.0000 | |
| 283 | R | A | -2.9498 | |
| 284 | P | A | 0.0000 | |
| 285 | I | A | -1.5141 | |
| 286 | A | A | -2.1726 | |
| 287 | D | A | -2.9416 | |
| 288 | G | A | -2.0077 | |
| 289 | K | A | -2.7081 | |
| 290 | V | A | 0.0000 | |
| 291 | M | A | -0.2042 | |
| 292 | P | A | 0.1473 | |
| 293 | N | A | 0.0000 | |
| 294 | I | A | -0.6655 | |
| 295 | G | A | -1.9402 | |
| 296 | G | A | 0.0000 | |
| 297 | I | A | -2.1084 | |
| 298 | E | A | -3.2196 | |
| 299 | R | A | -2.3145 | |
| 300 | F | A | 0.0000 | |
| 301 | E | A | -2.1677 | |
| 302 | K | A | -2.6695 | |
| 303 | N | A | -2.3067 | |
| 304 | S | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | V | A | -2.3477 | |
| 307 | F | A | 0.0000 | |
| 308 | K | A | -3.8000 | |
| 309 | D | A | -3.2334 | |
| 310 | G | A | -2.5552 | |
| 311 | T | A | -2.2239 | |
| 312 | R | A | -3.0031 | |
| 313 | E | A | -1.8968 | |
| 314 | E | A | -2.3428 | |
| 315 | V | A | 0.0000 | |
| 316 | D | A | -1.9409 | |
| 317 | A | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | V | A | 0.0000 | |
| 320 | F | A | 0.0000 | |
| 321 | C | A | 0.0000 | |
| 322 | T | A | -0.1542 | |
| 323 | G | A | -0.3653 | |
| 324 | Y | A | -0.4295 | |
| 325 | Q | A | -0.9208 | |
| 326 | L | A | -0.5010 | |
| 327 | S | A | -0.3936 | |
| 328 | F | A | 0.0000 | |
| 329 | P | A | -1.0448 | |
| 330 | F | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | D | A | -2.3388 | |
| 333 | V | A | -0.5062 | |
| 334 | S | A | -0.3846 | |
| 335 | I | A | -0.4574 | |
| 336 | S | A | -0.6155 | |
| 337 | N | A | -1.0198 | |
| 338 | M | A | 0.0000 | |
| 339 | R | A | 0.0000 | |
| 340 | D | A | -2.1890 | |
| 341 | L | A | 0.0000 | |
| 342 | F | A | 0.0000 | |
| 343 | K | A | 0.0000 | |
| 344 | Q | A | 0.0000 | |
| 345 | M | A | 0.0000 | |
| 346 | F | A | 0.0000 | |
| 347 | I | A | -0.5377 | |
| 348 | P | A | 0.0000 | |
| 349 | E | A | -1.5503 | |
| 350 | M | A | -0.7682 | |
| 351 | G | A | -0.6336 | |
| 352 | H | A | -0.6637 | |
| 353 | S | A | -0.8883 | |
| 354 | L | A | 0.0000 | |
| 355 | S | A | 0.0000 | |
| 356 | F | A | 0.0000 | |
| 357 | I | A | 0.0000 | |
| 358 | G | A | -0.2069 | |
| 359 | F | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | R | A | -0.8365 | |
| 362 | P | A | 0.0000 | |
| 363 | Q | A | 0.0000 | |
| 364 | Q | A | 0.0000 | |
| 365 | G | A | 0.0000 | |
| 366 | G | A | 0.0000 | |
| 367 | I | A | 0.1772 | |
| 368 | P | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | E | A | 0.0000 | |
| 373 | M | A | 0.0000 | |
| 374 | Q | A | 0.0000 | |
| 375 | C | A | 0.0000 | |
| 376 | R | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | S | A | -0.8816 | |
| 380 | K | A | -1.3148 | |
| 381 | L | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | S | A | -1.0898 | |
| 384 | G | A | -1.5747 | |
| 385 | E | A | -2.2700 | |
| 386 | A | A | -1.7161 | |
| 387 | Q | A | -1.9524 | |
| 388 | L | A | 0.0000 | |
| 389 | P | A | -0.6659 | |
| 390 | T | A | -0.5866 | |
| 391 | L | A | -0.2140 | |
| 392 | S | A | -0.8068 | |
| 393 | E | A | -1.6169 | |
| 394 | M | A | 0.0000 | |
| 395 | H | A | -2.2891 | |
| 396 | D | A | -3.0964 | |
| 397 | V | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | K | A | -3.5684 | |
| 400 | H | A | -2.6161 | |
| 401 | D | A | 0.0000 | |
| 402 | T | A | -2.2853 | |
| 403 | K | A | -2.7120 | |
| 404 | H | A | 0.0000 | |
| 405 | W | A | 0.0000 | |
| 406 | Q | A | -1.9721 | |
| 407 | T | A | -1.3990 | |
| 408 | E | A | 0.0000 | |
| 409 | Y | A | 0.0000 | |
| 410 | K | A | -1.8478 | |
| 411 | I | A | -0.5442 | |
| 412 | T | A | 0.0000 | |
| 413 | P | A | -1.2796 | |
| 414 | H | A | -1.0828 | |
| 415 | V | A | -0.3527 | |
| 416 | A | A | -0.6927 | |
| 417 | S | A | -0.4501 | |
| 418 | L | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | N | A | -0.2485 | |
| 421 | Y | A | 0.0000 | |
| 422 | C | A | 0.0000 | |
| 423 | H | A | 0.0000 | |
| 424 | Y | A | 0.0000 | |
| 425 | M | A | 0.0000 | |
| 426 | D | A | 0.0000 | |
| 427 | S | A | -0.8638 | |
| 428 | M | A | 0.0000 | |
| 429 | A | A | 0.0000 | |
| 430 | K | A | -0.8804 | |
| 431 | L | A | -0.7485 | |
| 432 | V | A | 0.0000 | |
| 433 | G | A | -0.7368 | |
| 434 | C | A | 0.0000 | |
| 435 | M | A | -0.3060 | |
| 436 | P | A | 0.0000 | |
| 437 | Q | A | -0.8779 | |
| 438 | I | A | -0.1942 | |
| 439 | P | A | 0.0000 | |
| 440 | S | A | -2.0201 | |
| 441 | R | A | -2.6120 | |
| 442 | D | A | -3.2890 | |
| 443 | K | A | -2.9611 | |
| 444 | D | A | -1.6117 | |
| 445 | P | A | -1.1352 | |
| 446 | L | A | 0.4549 | |
| 447 | L | A | 0.0000 | |
| 448 | R | A | -0.5232 | |
| 449 | V | A | 0.2992 | |
| 450 | K | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | H | A | 0.0000 | |
| 454 | N | A | 0.0000 | |
| 455 | P | A | 0.0000 | |
| 456 | Q | A | 0.0000 | |
| 457 | F | A | 0.0000 | |
| 458 | A | A | 0.0000 | |
| 459 | A | A | 0.0000 | |
| 460 | Q | A | 0.0000 | |
| 461 | Y | A | 0.0000 | |
| 462 | R | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | D | A | -1.1983 | |
| 465 | G | A | -1.2151 | |
| 466 | P | A | -1.0932 | |
| 467 | N | A | -1.5844 | |
| 468 | N | A | -1.7138 | |
| 469 | M | A | -0.9778 | |
| 470 | T | A | -1.3758 | |
| 471 | H | A | -1.7964 | |
| 472 | T | A | -1.5256 | |
| 473 | A | A | 0.0000 | |
| 474 | R | A | -1.7580 | |
| 475 | E | A | -2.5151 | |
| 476 | F | A | 0.0000 | |
| 477 | L | A | 0.0000 | |
| 478 | L | A | -0.4115 | |
| 479 | S | A | -0.9362 | |
| 480 | F | A | 0.0000 | |
| 481 | P | A | -0.4220 | |
| 482 | N | A | -0.4878 | |
| 483 | I | A | -0.1411 | |
| 484 | S | A | -0.1373 | |
| 485 | S | A | -0.0979 | |
| 486 | Y | A | 0.4623 | |
| 487 | P | A | -0.5020 | |
| 488 | R | A | -1.1383 | |
| 489 | I | A | 0.0000 | |
| 490 | E | A | -1.6095 | |
| 491 | H | A | -1.9506 | |
| 492 | F | A | -1.2245 | |
| 493 | E | A | 0.0000 | |
| 494 | R | A | -2.2969 | |
| 495 | A | A | -1.8346 | |
| 496 | L | A | -1.7247 | |
| 497 | A | A | -1.3196 | |
| 498 | T | A | -1.8713 | |
| 499 | Q | A | -2.8352 | |
| 500 | K | A | -3.1312 | |
| 501 | L | A | -2.6280 | |
| 502 | R | A | -3.1425 | |
| 503 | S | A | -2.4681 | |
| 504 | R | A | -2.7189 | |
| 505 | L | A | -1.5266 | |
| 506 | R | A | -0.8611 | |
| 507 | L | A | 0.0392 | |
| 508 | D | A | -1.2788 | |
| 509 | G | A | -1.2315 | |
| 510 | L | A | 0.0000 | |
| 511 | R | A | -3.0298 | |
| 512 | E | A | -3.0073 | |
| 513 | I | A | -1.7506 | |
| 514 | S | A | -1.6577 | |
| 515 | K | A | -2.0657 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -1.0849 | 2.3115 | View | CSV | PDB |
| 4.5 | -1.1496 | 2.3208 | View | CSV | PDB |
| 5.0 | -1.2268 | 2.3472 | View | CSV | PDB |
| 5.5 | -1.3011 | 2.4109 | View | CSV | PDB |
| 6.0 | -1.3569 | 2.5264 | View | CSV | PDB |
| 6.5 | -1.3837 | 2.6751 | View | CSV | PDB |
| 7.0 | -1.3825 | 2.8204 | View | CSV | PDB |
| 7.5 | -1.3627 | 2.9472 | View | CSV | PDB |
| 8.0 | -1.3325 | 3.0612 | View | CSV | PDB |
| 8.5 | -1.2936 | 3.169 | View | CSV | PDB |
| 9.0 | -1.2444 | 3.2724 | 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