| Chain sequence(s) |
A: IMEKFNASIAYDRHLWEVDVQGSKAYSRGLEKAGLLTKAEMDQILHGLDKVKLNSNDEDIHTANERRLKELIGATAGKLHTGRSRNDQVVTDLRLWMRQTCSTLSGLLWELIRTMVDRAEAERDVLFPGYTHLQRAQPIRWSHWILSHAVALTRDSERLLEVRKRINVLPLGSGAIAGNPLGVDRELLRAELNFGAITLNSMDATSERDFVAEFLFWRSLCMTHLSRMAEDLILYCTKEFSFVQLSDAYSTGSSLMPQKKNPDSLELIRSKAGRVFGRCAGLLMTLKGLPSTYNKDLQEDKEAVFEVSDTMSAVLQVATGVISTLQIHQENMGQALSPDMLATDLAYYLVRKGMPFRQAHEASGKAVFMAETKGVALNQLSLQELQTISPLFSGDVICVWDYRHSVEQYGALGGTARSSVDWQIRQVRALLQAQ
B: IMEKFNASIAYDRHLWEVDVQGSKAYSRGLEKAGLLTKAEMDQILHGLDKVKLNSNDEDIHTANERRLKELIGATAGKLHTGRSRNDQVVTDLRLWMRQTCSTLSGLLWELIRTMVDRAEAERDVLFPGYTHLQRAQPIRWSHWILSHAVALTRDSERLLEVRKRINVLPLGSGAIAGNPLGVDRELLRAELNFGAITLNSMDATSERDFVAEFLFWRSLCMTHLSRMAEDLILYCTKEFSFVQLSDAYSTGSSLMPQKKNPDSLELIRSKAGRVFGRCAGLLMTLKGLPSTYNKDLQEDKEAVFEVSDTMSAVLQVATGVISTLQIHQENMGQALSPDMLATDLAYYLVRKGMPFRQAHEASGKAVFMAETKGVALNQLSLQELQTISPLFSGDVICVWDYRHSVEQYGALGGTARSSVDWQIRQVRALLQAQ input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:02)
[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 all 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 (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:33)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2c12a4ebc29cb9b/tmp/folded.pdb (00:19:33)
[INFO] Main: Simulation completed successfully. (00:23:40)
|
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 |
|---|---|---|---|---|
| 20 | I | A | 1.7467 | |
| 21 | M | A | 1.0658 | |
| 22 | E | A | -1.4315 | |
| 23 | K | A | -1.0329 | |
| 24 | F | A | 0.8167 | |
| 25 | N | A | -1.2454 | |
| 26 | A | A | -1.0625 | |
| 27 | S | A | 0.0000 | |
| 28 | I | A | -0.5051 | |
| 29 | A | A | -0.3469 | |
| 30 | Y | A | -0.3121 | |
| 31 | D | A | 0.0000 | |
| 32 | R | A | -2.1218 | |
| 33 | H | A | -1.8910 | |
| 34 | L | A | 0.0000 | |
| 35 | W | A | -1.2907 | |
| 36 | E | A | -2.3793 | |
| 37 | V | A | 0.0000 | |
| 38 | D | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | Q | A | -1.7245 | |
| 41 | G | A | 0.0000 | |
| 42 | S | A | 0.0000 | |
| 43 | K | A | -1.4297 | |
| 44 | A | A | 0.0000 | |
| 45 | Y | A | 0.0000 | |
| 46 | S | A | 0.0000 | |
| 47 | R | A | -2.1120 | |
| 48 | G | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | E | A | -2.0553 | |
| 51 | K | A | -2.5614 | |
| 52 | A | A | -1.3485 | |
| 53 | G | A | -1.2548 | |
| 54 | L | A | -0.7133 | |
| 55 | L | A | 0.0000 | |
| 56 | T | A | -1.6995 | |
| 57 | K | A | -2.6866 | |
| 58 | A | A | -1.5378 | |
| 59 | E | A | -1.5955 | |
| 60 | M | A | 0.0000 | |
| 61 | D | A | -2.5394 | |
| 62 | Q | A | -1.8557 | |
| 63 | I | A | 0.0000 | |
| 64 | L | A | -2.1403 | |
| 65 | H | A | -2.6014 | |
| 66 | G | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | D | A | -3.2964 | |
| 69 | K | A | -2.7827 | |
| 70 | V | A | 0.0000 | |
| 80 | K | A | -1.2637 | |
| 81 | L | A | -0.1160 | |
| 82 | N | A | -1.4325 | |
| 83 | S | A | -1.2569 | |
| 84 | N | A | -1.8900 | |
| 85 | D | A | -1.4906 | |
| 86 | E | A | -2.1970 | |
| 87 | D | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | H | A | 0.0000 | |
| 90 | T | A | -1.0227 | |
| 91 | A | A | -1.1099 | |
| 92 | N | A | 0.0000 | |
| 93 | E | A | -1.9196 | |
| 94 | R | A | -2.0613 | |
| 95 | R | A | -2.3280 | |
| 96 | L | A | 0.0000 | |
| 97 | K | A | -2.9995 | |
| 98 | E | A | -2.7477 | |
| 99 | L | A | -1.3287 | |
| 100 | I | A | -1.1530 | |
| 101 | G | A | -1.8044 | |
| 102 | A | A | -0.8896 | |
| 103 | T | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | G | A | -1.5348 | |
| 106 | K | A | -1.4146 | |
| 107 | L | A | 0.0000 | |
| 108 | H | A | -1.1001 | |
| 109 | T | A | -0.5590 | |
| 110 | G | A | -0.5183 | |
| 111 | R | A | 0.0000 | |
| 112 | S | A | -0.7494 | |
| 113 | R | A | -1.3792 | |
| 114 | N | A | -0.8474 | |
| 115 | D | A | 0.0000 | |
| 116 | Q | A | -0.6817 | |
| 117 | V | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | T | A | 0.0000 | |
| 120 | D | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | R | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | W | A | -0.5756 | |
| 125 | M | A | 0.0000 | |
| 126 | R | A | -1.2568 | |
| 127 | Q | A | -1.1269 | |
| 128 | T | A | -0.8091 | |
| 129 | C | A | 0.0000 | |
| 130 | S | A | -0.5471 | |
| 131 | T | A | -0.2733 | |
| 132 | L | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | G | A | -0.0444 | |
| 135 | L | A | -0.2321 | |
| 136 | L | A | 0.0000 | |
| 137 | W | A | -0.1679 | |
| 138 | E | A | -0.9416 | |
| 139 | L | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | R | A | -1.5049 | |
| 142 | T | A | -1.1896 | |
| 143 | M | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | D | A | -2.6012 | |
| 146 | R | A | -1.6925 | |
| 147 | A | A | 0.0000 | |
| 148 | E | A | -2.4106 | |
| 149 | A | A | -1.3278 | |
| 150 | E | A | -1.1763 | |
| 151 | R | A | -1.3924 | |
| 152 | D | A | -1.2403 | |
| 153 | V | A | -0.7780 | |
| 154 | L | A | -0.7877 | |
| 155 | F | A | 0.0000 | |
| 156 | P | A | 0.0000 | |
| 157 | G | A | -0.0517 | |
| 158 | Y | A | 0.0018 | |
| 159 | T | A | -0.1813 | |
| 160 | H | A | -0.6648 | |
| 161 | L | A | -0.0918 | |
| 162 | Q | A | 0.0000 | |
| 163 | R | A | -0.6086 | |
| 164 | A | A | -0.3882 | |
| 165 | Q | A | -0.2458 | |
| 166 | P | A | 0.0000 | |
| 167 | I | A | -0.0546 | |
| 168 | R | A | 0.0000 | |
| 169 | W | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | H | A | -0.5616 | |
| 172 | W | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | S | A | -0.0996 | |
| 176 | H | A | -0.3115 | |
| 177 | A | A | 0.0000 | |
| 178 | V | A | -0.1701 | |
| 179 | A | A | -0.4050 | |
| 180 | L | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | R | A | -2.2862 | |
| 183 | D | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | E | A | -3.0501 | |
| 186 | R | A | -3.0261 | |
| 187 | L | A | 0.0000 | |
| 188 | L | A | -2.4700 | |
| 189 | E | A | -3.1805 | |
| 190 | V | A | 0.0000 | |
| 191 | R | A | -2.6243 | |
| 192 | K | A | -3.0519 | |
| 193 | R | A | -2.8197 | |
| 194 | I | A | 0.0000 | |
| 195 | N | A | -1.7076 | |
| 196 | V | A | -0.5275 | |
| 197 | L | A | 0.0000 | |
| 198 | P | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | G | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | G | A | 0.0000 | |
| 203 | A | A | 0.3628 | |
| 204 | I | A | 1.0200 | |
| 205 | A | A | 0.4691 | |
| 206 | G | A | -0.1482 | |
| 207 | N | A | -0.4328 | |
| 208 | P | A | -0.1794 | |
| 209 | L | A | 0.2249 | |
| 210 | G | A | -0.5767 | |
| 211 | V | A | 0.0000 | |
| 212 | D | A | -2.2367 | |
| 213 | R | A | -1.8249 | |
| 214 | E | A | -2.4168 | |
| 215 | L | A | -1.9501 | |
| 216 | L | A | 0.0000 | |
| 217 | R | A | -1.8430 | |
| 218 | A | A | -1.5068 | |
| 219 | E | A | -1.8586 | |
| 220 | L | A | 0.0000 | |
| 221 | N | A | -1.7570 | |
| 222 | F | A | 0.0000 | |
| 223 | G | A | -1.2177 | |
| 224 | A | A | -0.5475 | |
| 225 | I | A | 0.1350 | |
| 226 | T | A | 0.3579 | |
| 227 | L | A | 1.0584 | |
| 228 | N | A | -0.3699 | |
| 229 | S | A | -0.1326 | |
| 230 | M | A | -0.1150 | |
| 231 | D | A | -1.8843 | |
| 232 | A | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | S | A | -1.3866 | |
| 235 | E | A | -2.0015 | |
| 236 | R | A | 0.0000 | |
| 237 | D | A | -2.1229 | |
| 238 | F | A | 0.0000 | |
| 239 | V | A | 0.0000 | |
| 240 | A | A | -0.6209 | |
| 241 | E | A | -1.1656 | |
| 242 | F | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | F | A | 1.2548 | |
| 245 | W | A | 0.0000 | |
| 246 | R | A | 0.0000 | |
| 247 | S | A | 0.4576 | |
| 248 | L | A | 0.8934 | |
| 249 | C | A | 0.0000 | |
| 250 | M | A | 0.0000 | |
| 251 | T | A | -0.4957 | |
| 252 | H | A | -0.8405 | |
| 253 | L | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | R | A | -2.0767 | |
| 256 | M | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | E | A | -1.2977 | |
| 259 | D | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | I | A | 0.0000 | |
| 262 | L | A | -0.0004 | |
| 263 | Y | A | 0.0000 | |
| 264 | C | A | 0.0000 | |
| 265 | T | A | 0.0000 | |
| 266 | K | A | -0.7953 | |
| 267 | E | A | -0.4967 | |
| 268 | F | A | 0.0000 | |
| 269 | S | A | -0.6066 | |
| 270 | F | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | Q | A | -1.0756 | |
| 273 | L | A | 0.0000 | |
| 274 | S | A | -1.1578 | |
| 275 | D | A | -1.8720 | |
| 276 | A | A | -0.6762 | |
| 277 | Y | A | -0.1899 | |
| 278 | S | A | -0.9968 | |
| 279 | T | A | -0.9914 | |
| 280 | G | A | -1.1090 | |
| 281 | S | A | -1.0463 | |
| 282 | S | A | -0.6297 | |
| 283 | L | A | -0.3933 | |
| 284 | M | A | 0.0000 | |
| 285 | P | A | -1.0961 | |
| 286 | Q | A | -1.6625 | |
| 287 | K | A | -1.3791 | |
| 288 | K | A | -1.7445 | |
| 289 | N | A | 0.0000 | |
| 290 | P | A | 0.0000 | |
| 291 | D | A | -0.9834 | |
| 292 | S | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | E | A | -1.1021 | |
| 295 | L | A | -0.1791 | |
| 296 | I | A | 0.0000 | |
| 297 | R | A | -1.6398 | |
| 298 | S | A | -1.0930 | |
| 299 | K | A | -1.2835 | |
| 300 | A | A | -0.9918 | |
| 301 | G | A | -1.1967 | |
| 302 | R | A | -2.1697 | |
| 303 | V | A | 0.0000 | |
| 304 | F | A | 0.3242 | |
| 305 | G | A | -0.7671 | |
| 306 | R | A | -0.7380 | |
| 307 | C | A | 0.0000 | |
| 308 | A | A | 0.2093 | |
| 309 | G | A | -0.0294 | |
| 310 | L | A | 0.0000 | |
| 311 | L | A | 0.3967 | |
| 312 | M | A | 0.1727 | |
| 313 | T | A | -0.3476 | |
| 314 | L | A | -0.4723 | |
| 315 | K | A | -0.5704 | |
| 316 | G | A | -0.6664 | |
| 317 | L | A | -0.6899 | |
| 318 | P | A | -0.4393 | |
| 319 | S | A | -0.3440 | |
| 320 | T | A | -0.3475 | |
| 321 | Y | A | -0.9171 | |
| 322 | N | A | -1.7621 | |
| 323 | K | A | -2.7954 | |
| 324 | D | A | -2.3566 | |
| 325 | L | A | 0.0000 | |
| 326 | Q | A | -1.8272 | |
| 327 | E | A | -1.5961 | |
| 328 | D | A | 0.0000 | |
| 329 | K | A | 0.0000 | |
| 330 | E | A | -0.9704 | |
| 331 | A | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | F | A | -0.8348 | |
| 334 | E | A | -1.5110 | |
| 335 | V | A | 0.0000 | |
| 336 | S | A | 0.0000 | |
| 337 | D | A | -1.9391 | |
| 338 | T | A | -1.3145 | |
| 339 | M | A | 0.0000 | |
| 340 | S | A | -0.7545 | |
| 341 | A | A | -0.7008 | |
| 342 | V | A | 0.0000 | |
| 343 | L | A | 0.0000 | |
| 344 | Q | A | -1.0098 | |
| 345 | V | A | -0.0244 | |
| 346 | A | A | 0.0000 | |
| 347 | T | A | -0.5009 | |
| 348 | G | A | -0.1991 | |
| 349 | V | A | 0.0000 | |
| 350 | I | A | 0.0000 | |
| 351 | S | A | -0.6097 | |
| 352 | T | A | -0.5753 | |
| 353 | L | A | 0.0000 | |
| 354 | Q | A | -1.4658 | |
| 355 | I | A | -1.3996 | |
| 356 | H | A | -2.1578 | |
| 357 | Q | A | -2.7352 | |
| 358 | E | A | -3.2408 | |
| 359 | N | A | -2.6349 | |
| 360 | M | A | 0.0000 | |
| 361 | G | A | -1.9969 | |
| 362 | Q | A | -2.2461 | |
| 363 | A | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | S | A | -0.3194 | |
| 366 | P | A | -0.3562 | |
| 367 | D | A | 0.0000 | |
| 368 | M | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | T | A | -0.0309 | |
| 372 | D | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | Y | A | 0.3572 | |
| 376 | Y | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | V | A | -0.4228 | |
| 379 | R | A | -1.9598 | |
| 380 | K | A | -1.6864 | |
| 381 | G | A | -1.0839 | |
| 382 | M | A | -0.5515 | |
| 383 | P | A | -0.6543 | |
| 384 | F | A | -0.0917 | |
| 385 | R | A | -2.3286 | |
| 386 | Q | A | -2.2972 | |
| 387 | A | A | 0.0000 | |
| 388 | H | A | -1.9127 | |
| 389 | E | A | -3.1178 | |
| 390 | A | A | 0.0000 | |
| 391 | S | A | 0.0000 | |
| 392 | G | A | -1.1466 | |
| 393 | K | A | -1.4422 | |
| 394 | A | A | 0.0000 | |
| 395 | V | A | 0.0000 | |
| 396 | F | A | 0.6761 | |
| 397 | M | A | -0.1370 | |
| 398 | A | A | 0.0000 | |
| 399 | E | A | -1.4922 | |
| 400 | T | A | -0.7959 | |
| 401 | K | A | -1.1375 | |
| 402 | G | A | -1.0963 | |
| 403 | V | A | -0.8016 | |
| 404 | A | A | -0.9003 | |
| 405 | L | A | 0.0000 | |
| 406 | N | A | -1.4782 | |
| 407 | Q | A | -1.7386 | |
| 408 | L | A | 0.0000 | |
| 409 | S | A | -0.9761 | |
| 410 | L | A | -0.6861 | |
| 411 | Q | A | -1.6016 | |
| 412 | E | A | -1.0487 | |
| 413 | L | A | 0.0000 | |
| 414 | Q | A | -1.3493 | |
| 415 | T | A | -0.7525 | |
| 416 | I | A | -0.7441 | |
| 417 | S | A | 0.0000 | |
| 418 | P | A | -0.5273 | |
| 419 | L | A | -0.2697 | |
| 420 | F | A | 0.0000 | |
| 421 | S | A | -0.5974 | |
| 422 | G | A | -0.6363 | |
| 423 | D | A | -0.6187 | |
| 424 | V | A | 0.0000 | |
| 425 | I | A | 1.4980 | |
| 426 | C | A | 0.6266 | |
| 427 | V | A | 0.2299 | |
| 428 | W | A | -0.0438 | |
| 429 | D | A | -0.7900 | |
| 430 | Y | A | -0.9013 | |
| 431 | R | A | -1.9385 | |
| 432 | H | A | -1.7185 | |
| 433 | S | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | E | A | -1.9098 | |
| 436 | Q | A | -1.0063 | |
| 437 | Y | A | -0.2265 | |
| 438 | G | A | -0.1667 | |
| 439 | A | A | 0.6148 | |
| 440 | L | A | 1.3448 | |
| 441 | G | A | 0.3320 | |
| 442 | G | A | -0.0304 | |
| 443 | T | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | R | A | -1.9329 | |
| 446 | S | A | -0.7494 | |
| 447 | S | A | 0.0000 | |
| 448 | V | A | 0.0000 | |
| 449 | D | A | -1.3234 | |
| 450 | W | A | -0.7133 | |
| 451 | Q | A | -1.2458 | |
| 452 | I | A | 0.0000 | |
| 453 | R | A | -2.6585 | |
| 454 | Q | A | -2.0540 | |
| 455 | V | A | 0.0000 | |
| 456 | R | A | -2.3781 | |
| 457 | A | A | -1.7139 | |
| 458 | L | A | -1.3382 | |
| 459 | L | A | 0.0000 | |
| 460 | Q | A | -1.7702 | |
| 461 | A | A | -1.0866 | |
| 462 | Q | A | -1.6441 | |
| 20 | I | B | 1.8100 | |
| 21 | M | B | 1.1861 | |
| 22 | E | B | -1.2450 | |
| 23 | K | B | -0.8887 | |
| 24 | F | B | 1.0292 | |
| 25 | N | B | -0.8538 | |
| 26 | A | B | -0.9000 | |
| 27 | S | B | 0.0000 | |
| 28 | I | B | -0.5632 | |
| 29 | A | B | -0.5769 | |
| 30 | Y | B | -0.8470 | |
| 31 | D | B | 0.0000 | |
| 32 | R | B | -2.1815 | |
| 33 | H | B | -1.9524 | |
| 34 | L | B | 0.0000 | |
| 35 | W | B | -1.3238 | |
| 36 | E | B | -2.2509 | |
| 37 | V | B | 0.0000 | |
| 38 | D | B | 0.0000 | |
| 39 | V | B | -1.1167 | |
| 40 | Q | B | -1.3443 | |
| 41 | G | B | 0.0000 | |
| 42 | S | B | 0.0000 | |
| 43 | K | B | -1.6229 | |
| 44 | A | B | 0.0000 | |
| 45 | Y | B | 0.0000 | |
| 46 | S | B | 0.0000 | |
| 47 | R | B | -2.5122 | |
| 48 | G | B | 0.0000 | |
| 49 | L | B | 0.0000 | |
| 50 | E | B | -2.3943 | |
| 51 | K | B | -2.6646 | |
| 52 | A | B | -1.4467 | |
| 53 | G | B | -1.4090 | |
| 54 | L | B | -0.8880 | |
| 55 | L | B | 0.0000 | |
| 56 | T | B | -1.8624 | |
| 57 | K | B | -2.9009 | |
| 58 | A | B | -1.7292 | |
| 59 | E | B | -1.7724 | |
| 60 | M | B | 0.0000 | |
| 61 | D | B | -2.9925 | |
| 62 | Q | B | -1.9485 | |
| 63 | I | B | 0.0000 | |
| 64 | L | B | -2.1458 | |
| 65 | H | B | -2.4194 | |
| 66 | G | B | 0.0000 | |
| 67 | L | B | 0.0000 | |
| 68 | D | B | -3.0035 | |
| 69 | K | B | -2.5158 | |
| 70 | V | B | -1.5516 | |
| 80 | K | B | -1.3356 | |
| 81 | L | B | -0.3120 | |
| 82 | N | B | -1.6267 | |
| 83 | S | B | -1.3542 | |
| 84 | N | B | -1.9518 | |
| 85 | D | B | -1.5578 | |
| 86 | E | B | -2.1268 | |
| 87 | D | B | -1.3073 | |
| 88 | I | B | 0.0000 | |
| 89 | H | B | 0.0000 | |
| 90 | T | B | -1.0118 | |
| 91 | A | B | 0.0000 | |
| 92 | N | B | 0.0000 | |
| 93 | E | B | -1.4588 | |
| 94 | R | B | -1.7302 | |
| 95 | R | B | -1.8270 | |
| 96 | L | B | 0.0000 | |
| 97 | K | B | -2.5111 | |
| 98 | E | B | -2.3706 | |
| 99 | L | B | -0.8855 | |
| 100 | I | B | -0.8154 | |
| 101 | G | B | -1.5506 | |
| 102 | A | B | -0.8077 | |
| 103 | T | B | 0.0000 | |
| 104 | A | B | 0.0000 | |
| 105 | G | B | -1.4704 | |
| 106 | K | B | -1.4694 | |
| 107 | L | B | 0.0000 | |
| 108 | H | B | -1.2020 | |
| 109 | T | B | -0.6315 | |
| 110 | G | B | -0.6528 | |
| 111 | R | B | 0.0000 | |
| 112 | S | B | -1.0981 | |
| 113 | R | B | -2.0994 | |
| 114 | N | B | -1.1818 | |
| 115 | D | B | 0.0000 | |
| 116 | Q | B | -0.9587 | |
| 117 | V | B | 0.0000 | |
| 118 | V | B | 0.0000 | |
| 119 | T | B | 0.0000 | |
| 120 | D | B | 0.0000 | |
| 121 | L | B | 0.0000 | |
| 122 | R | B | 0.0000 | |
| 123 | L | B | 0.0000 | |
| 124 | W | B | -0.4818 | |
| 125 | M | B | 0.0000 | |
| 126 | R | B | -1.1629 | |
| 127 | Q | B | -0.8568 | |
| 128 | T | B | -0.6902 | |
| 129 | C | B | 0.0000 | |
| 130 | S | B | -0.4970 | |
| 131 | T | B | -0.2342 | |
| 132 | L | B | 0.0000 | |
| 133 | S | B | -0.6450 | |
| 134 | G | B | -0.2448 | |
| 135 | L | B | -0.5129 | |
| 136 | L | B | 0.0000 | |
| 137 | W | B | -0.6148 | |
| 138 | E | B | -1.7641 | |
| 139 | L | B | 0.0000 | |
| 140 | I | B | 0.0000 | |
| 141 | R | B | -1.8125 | |
| 142 | T | B | -1.2543 | |
| 143 | M | B | 0.0000 | |
| 144 | V | B | 0.0000 | |
| 145 | D | B | -1.4803 | |
| 146 | R | B | -1.1137 | |
| 147 | A | B | 0.0000 | |
| 148 | E | B | -1.6951 | |
| 149 | A | B | -0.9180 | |
| 150 | E | B | -0.9698 | |
| 151 | R | B | -1.2688 | |
| 152 | D | B | -1.3619 | |
| 153 | V | B | 0.0000 | |
| 154 | L | B | -0.9802 | |
| 155 | F | B | 0.0000 | |
| 156 | P | B | 0.0000 | |
| 157 | G | B | 0.0030 | |
| 158 | Y | B | 0.0627 | |
| 159 | T | B | -0.1226 | |
| 160 | H | B | -0.5481 | |
| 161 | L | B | 0.0100 | |
| 162 | Q | B | 0.0000 | |
| 163 | R | B | -0.5687 | |
| 164 | A | B | -0.3181 | |
| 165 | Q | B | -0.1197 | |
| 166 | P | B | 0.0000 | |
| 167 | I | B | -0.0731 | |
| 168 | R | B | 0.0000 | |
| 169 | W | B | 0.0000 | |
| 170 | S | B | 0.0000 | |
| 171 | H | B | -0.5310 | |
| 172 | W | B | 0.0000 | |
| 173 | I | B | 0.0000 | |
| 174 | L | B | 0.0000 | |
| 175 | S | B | -0.0432 | |
| 176 | H | B | 0.0000 | |
| 177 | A | B | 0.0000 | |
| 178 | V | B | -0.0698 | |
| 179 | A | B | -0.4527 | |
| 180 | L | B | 0.0000 | |
| 181 | T | B | 0.0000 | |
| 182 | R | B | -2.6349 | |
| 183 | D | B | 0.0000 | |
| 184 | S | B | 0.0000 | |
| 185 | E | B | -3.5447 | |
| 186 | R | B | -3.1908 | |
| 187 | L | B | 0.0000 | |
| 188 | L | B | -2.5986 | |
| 189 | E | B | -3.1825 | |
| 190 | V | B | 0.0000 | |
| 191 | R | B | -2.7961 | |
| 192 | K | B | -3.2288 | |
| 193 | R | B | -3.3345 | |
| 194 | I | B | 0.0000 | |
| 195 | N | B | -1.7595 | |
| 196 | V | B | -0.5803 | |
| 197 | L | B | 0.0000 | |
| 198 | P | B | 0.0000 | |
| 199 | L | B | 0.0000 | |
| 200 | G | B | 0.0000 | |
| 201 | S | B | 0.0000 | |
| 202 | G | B | 0.0000 | |
| 203 | A | B | 0.2635 | |
| 204 | I | B | 1.0486 | |
| 205 | A | B | 0.4868 | |
| 206 | G | B | -0.1630 | |
| 207 | N | B | -0.4534 | |
| 208 | P | B | -0.2938 | |
| 209 | L | B | 0.0135 | |
| 210 | G | B | -0.6203 | |
| 211 | V | B | 0.0000 | |
| 212 | D | B | -1.9852 | |
| 213 | R | B | -1.6750 | |
| 214 | E | B | -2.4422 | |
| 215 | L | B | -2.1265 | |
| 216 | L | B | 0.0000 | |
| 217 | R | B | -1.9946 | |
| 218 | A | B | -1.9603 | |
| 219 | E | B | -2.8231 | |
| 220 | L | B | 0.0000 | |
| 221 | N | B | -2.0471 | |
| 222 | F | B | 0.0000 | |
| 223 | G | B | -1.2339 | |
| 224 | A | B | -0.6813 | |
| 225 | I | B | 0.1357 | |
| 226 | T | B | 0.3662 | |
| 227 | L | B | 1.0459 | |
| 228 | N | B | -0.3817 | |
| 229 | S | B | -0.1410 | |
| 230 | M | B | -0.0293 | |
| 231 | D | B | -1.7096 | |
| 232 | A | B | 0.0000 | |
| 233 | T | B | 0.0000 | |
| 234 | S | B | -1.0626 | |
| 235 | E | B | -1.4105 | |
| 236 | R | B | 0.0000 | |
| 237 | D | B | -2.5191 | |
| 238 | F | B | 0.0000 | |
| 239 | V | B | 0.0000 | |
| 240 | A | B | 0.0000 | |
| 241 | E | B | -1.3175 | |
| 242 | F | B | 0.0000 | |
| 243 | L | B | 0.0000 | |
| 244 | F | B | 1.1856 | |
| 245 | W | B | 0.0000 | |
| 246 | R | B | 0.0000 | |
| 247 | S | B | 0.3740 | |
| 248 | L | B | 0.9236 | |
| 249 | C | B | 0.0000 | |
| 250 | M | B | 0.0000 | |
| 251 | T | B | -0.5372 | |
| 252 | H | B | -0.8770 | |
| 253 | L | B | 0.0000 | |
| 254 | S | B | -1.6694 | |
| 255 | R | B | -2.4026 | |
| 256 | M | B | 0.0000 | |
| 257 | A | B | 0.0000 | |
| 258 | E | B | -1.7605 | |
| 259 | D | B | -1.1074 | |
| 260 | L | B | 0.0000 | |
| 261 | I | B | 0.0000 | |
| 262 | L | B | 0.0000 | |
| 263 | Y | B | 0.0000 | |
| 264 | C | B | 0.0000 | |
| 265 | T | B | 0.0000 | |
| 266 | K | B | -0.8375 | |
| 267 | E | B | -0.5319 | |
| 268 | F | B | 0.0000 | |
| 269 | S | B | -0.6360 | |
| 270 | F | B | 0.0000 | |
| 271 | V | B | 0.0000 | |
| 272 | Q | B | -1.0551 | |
| 273 | L | B | 0.0000 | |
| 274 | S | B | -1.1622 | |
| 275 | D | B | -1.8779 | |
| 276 | A | B | -0.6809 | |
| 277 | Y | B | -0.1996 | |
| 278 | S | B | -1.0161 | |
| 279 | T | B | -1.0114 | |
| 280 | G | B | -1.1157 | |
| 281 | S | B | -1.0465 | |
| 282 | S | B | -0.6279 | |
| 283 | L | B | -0.4179 | |
| 284 | M | B | 0.0000 | |
| 285 | P | B | -1.0987 | |
| 286 | Q | B | -1.6668 | |
| 287 | K | B | -1.3962 | |
| 288 | K | B | -1.7770 | |
| 289 | N | B | 0.0000 | |
| 290 | P | B | 0.0000 | |
| 291 | D | B | -1.0567 | |
| 292 | S | B | 0.0000 | |
| 293 | L | B | 0.0000 | |
| 294 | E | B | -1.2555 | |
| 295 | L | B | -0.2489 | |
| 296 | I | B | 0.0000 | |
| 297 | R | B | -1.8611 | |
| 298 | S | B | -1.1756 | |
| 299 | K | B | -1.3343 | |
| 300 | A | B | -1.0534 | |
| 301 | G | B | -1.3354 | |
| 302 | R | B | -2.3605 | |
| 303 | V | B | 0.0000 | |
| 304 | F | B | 0.0901 | |
| 305 | G | B | -1.1462 | |
| 306 | R | B | -1.5712 | |
| 307 | C | B | 0.0000 | |
| 308 | A | B | -0.0353 | |
| 309 | G | B | -0.3076 | |
| 310 | L | B | 0.0000 | |
| 311 | L | B | 0.2677 | |
| 312 | M | B | 0.1395 | |
| 313 | T | B | -0.3421 | |
| 314 | L | B | -0.3021 | |
| 315 | K | B | -0.5388 | |
| 316 | G | B | -0.6458 | |
| 317 | L | B | -0.6555 | |
| 318 | P | B | -0.4368 | |
| 319 | S | B | -0.3483 | |
| 320 | T | B | -0.2415 | |
| 321 | Y | B | -0.7826 | |
| 322 | N | B | -1.7361 | |
| 323 | K | B | -2.7764 | |
| 324 | D | B | -2.3157 | |
| 325 | L | B | 0.0000 | |
| 326 | Q | B | -2.2749 | |
| 327 | E | B | -2.2567 | |
| 328 | D | B | 0.0000 | |
| 329 | K | B | 0.0000 | |
| 330 | E | B | -2.3231 | |
| 331 | A | B | 0.0000 | |
| 332 | V | B | 0.0000 | |
| 333 | F | B | -1.3036 | |
| 334 | E | B | -2.0218 | |
| 335 | V | B | 0.0000 | |
| 336 | S | B | 0.0000 | |
| 337 | D | B | -1.9740 | |
| 338 | T | B | -1.3413 | |
| 339 | M | B | 0.0000 | |
| 340 | S | B | -0.7594 | |
| 341 | A | B | -0.7029 | |
| 342 | V | B | 0.0000 | |
| 343 | L | B | 0.0000 | |
| 344 | Q | B | -1.1044 | |
| 345 | V | B | -0.0283 | |
| 346 | A | B | 0.0000 | |
| 347 | T | B | -0.6797 | |
| 348 | G | B | -0.1985 | |
| 349 | V | B | 0.0000 | |
| 350 | I | B | 0.0000 | |
| 351 | S | B | -0.4771 | |
| 352 | T | B | -0.5603 | |
| 353 | L | B | 0.0000 | |
| 354 | Q | B | -1.4373 | |
| 355 | I | B | -1.3706 | |
| 356 | H | B | -2.1499 | |
| 357 | Q | B | -2.8728 | |
| 358 | E | B | -3.3162 | |
| 359 | N | B | -2.6672 | |
| 360 | M | B | 0.0000 | |
| 361 | G | B | -2.0895 | |
| 362 | Q | B | -2.2804 | |
| 363 | A | B | 0.0000 | |
| 364 | L | B | 0.0000 | |
| 365 | S | B | -0.3110 | |
| 366 | P | B | -0.3562 | |
| 367 | D | B | 0.0000 | |
| 368 | M | B | 0.0000 | |
| 369 | L | B | 0.0000 | |
| 370 | A | B | 0.0000 | |
| 371 | T | B | 0.0023 | |
| 372 | D | B | 0.0000 | |
| 373 | L | B | 0.0000 | |
| 374 | A | B | 0.0000 | |
| 375 | Y | B | 0.4331 | |
| 376 | Y | B | 0.0000 | |
| 377 | L | B | 0.0000 | |
| 378 | V | B | -0.2888 | |
| 379 | R | B | -1.8456 | |
| 380 | K | B | -1.4589 | |
| 381 | G | B | -0.9905 | |
| 382 | M | B | -0.4139 | |
| 383 | P | B | -0.5325 | |
| 384 | F | B | 0.0583 | |
| 385 | R | B | -2.0797 | |
| 386 | Q | B | -1.7620 | |
| 387 | A | B | 0.0000 | |
| 388 | H | B | -1.6947 | |
| 389 | E | B | -2.8561 | |
| 390 | A | B | 0.0000 | |
| 391 | S | B | 0.0000 | |
| 392 | G | B | -0.9814 | |
| 393 | K | B | -1.2325 | |
| 394 | A | B | 0.0000 | |
| 395 | V | B | 0.0000 | |
| 396 | F | B | 0.7509 | |
| 397 | M | B | -0.0316 | |
| 398 | A | B | 0.0000 | |
| 399 | E | B | -1.3978 | |
| 400 | T | B | -0.7407 | |
| 401 | K | B | -1.0286 | |
| 402 | G | B | -0.9528 | |
| 403 | V | B | -0.5311 | |
| 404 | A | B | -0.7698 | |
| 405 | L | B | 0.0000 | |
| 406 | N | B | -1.4460 | |
| 407 | Q | B | -1.6529 | |
| 408 | L | B | 0.0000 | |
| 409 | S | B | -0.9609 | |
| 410 | L | B | -0.6538 | |
| 411 | Q | B | -1.5890 | |
| 412 | E | B | -1.0400 | |
| 413 | L | B | 0.0000 | |
| 414 | Q | B | -1.3267 | |
| 415 | T | B | -0.7395 | |
| 416 | I | B | -0.6813 | |
| 417 | S | B | 0.0000 | |
| 418 | P | B | -0.5041 | |
| 419 | L | B | -0.1846 | |
| 420 | F | B | 0.0000 | |
| 421 | S | B | -0.5751 | |
| 422 | G | B | -0.5995 | |
| 423 | D | B | -0.5494 | |
| 424 | V | B | 0.0000 | |
| 425 | I | B | 1.5164 | |
| 426 | C | B | 0.6169 | |
| 427 | V | B | 0.2064 | |
| 428 | W | B | -0.1096 | |
| 429 | D | B | -0.8483 | |
| 430 | Y | B | -1.0699 | |
| 431 | R | B | -2.2818 | |
| 432 | H | B | -1.8542 | |
| 433 | S | B | 0.0000 | |
| 434 | V | B | 0.0000 | |
| 435 | E | B | -1.8814 | |
| 436 | Q | B | -1.0183 | |
| 437 | Y | B | -0.1474 | |
| 438 | G | B | -0.1254 | |
| 439 | A | B | 0.6267 | |
| 440 | L | B | 1.3682 | |
| 441 | G | B | 0.3470 | |
| 442 | G | B | 0.0139 | |
| 443 | T | B | 0.0000 | |
| 444 | A | B | 0.0000 | |
| 445 | R | B | -1.7631 | |
| 446 | S | B | -0.6375 | |
| 447 | S | B | 0.0000 | |
| 448 | V | B | 0.0000 | |
| 449 | D | B | -1.0667 | |
| 450 | W | B | -0.5068 | |
| 451 | Q | B | -0.9615 | |
| 452 | I | B | 0.0000 | |
| 453 | R | B | -2.1770 | |
| 454 | Q | B | -1.3893 | |
| 455 | V | B | 0.0000 | |
| 456 | R | B | -1.5793 | |
| 457 | A | B | -1.0880 | |
| 458 | L | B | -0.6358 | |
| 459 | L | B | 0.0000 | |
| 460 | Q | B | -1.4183 | |
| 461 | A | B | -0.8474 | |
| 462 | Q | B | -1.5677 |
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 | -0.5807 | 3.3788 | View | CSV | PDB |
| 4.5 | -0.6345 | 3.2533 | View | CSV | PDB |
| 5.0 | -0.7 | 3.1212 | View | CSV | PDB |
| 5.5 | -0.765 | 2.987 | View | CSV | PDB |
| 6.0 | -0.8172 | 2.8556 | View | CSV | PDB |
| 6.5 | -0.8494 | 2.8282 | View | CSV | PDB |
| 7.0 | -0.8624 | 2.9873 | View | CSV | PDB |
| 7.5 | -0.8618 | 3.199 | View | CSV | PDB |
| 8.0 | -0.8531 | 3.4325 | View | CSV | PDB |
| 8.5 | -0.8377 | 3.6728 | View | CSV | PDB |
| 9.0 | -0.8149 | 3.9119 | 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