| Chain sequence(s) |
A: MAYTSLLSFSVCLLVLFHGCCAQIDLVTNHHQDPPWGQPQQPQPRHQSQCQLQNLNALQPKHRFRSEAGETEFWDQNEDQFQCAGVAFLRHKIQRKGLLLPSFTSAPMLFYVEQGEGIHGAVFPGCPETYQSQSQQNIQDRPQRDQHQKLRRLKEGDVVALPAGVAHWIFNNGRSQLVLVALVDVGNDANQLDENFRKFFLAGSPQGGVVRGGQSRDRNQRQSRTQRGEREEEESQESGGNNVLSGFRDNLLAQAFGIDTRLARKLQNERDNRGAIVRMEHGFEWPEEGQRRQGREEEGEEEREPKWQRRQESQEEGSEEEEREERGRGRRRSGNGLEETFCSMRLKHRTPASSADVFNPRGGRITTVNSFNLPILQYLQLSAERGVLYNNAIYAPHWNMNAHSIVYITRGNGRIQIVSENGEAIFDEQVERGQVITVPQNHAVVKKAGRRGFEWIAFKTNANAKISQIAGRVSIMRGLPVDVLANSFGISREEAMRLKHNRQEVSVFSPRQGSQQ
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 (00:08:18)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8d18b9d14934886/tmp/folded.pdb (00:08:18)
[INFO] Main: Simulation completed successfully. (00:11:32)
|
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 | 1.3938 | |
| 2 | A | A | 1.3826 | |
| 3 | Y | A | 2.1749 | |
| 4 | T | A | 1.6674 | |
| 5 | S | A | 1.7527 | |
| 6 | L | A | 3.1164 | |
| 7 | L | A | 3.0094 | |
| 8 | S | A | 2.6437 | |
| 9 | F | A | 3.7449 | |
| 10 | S | A | 3.3651 | |
| 11 | V | A | 4.4594 | |
| 12 | C | A | 3.8154 | |
| 13 | L | A | 3.8975 | |
| 14 | L | A | 4.4209 | |
| 15 | V | A | 4.4431 | |
| 16 | L | A | 4.0685 | |
| 17 | F | A | 3.8642 | |
| 18 | H | A | 1.6180 | |
| 19 | G | A | 1.5578 | |
| 20 | C | A | 1.6213 | |
| 21 | C | A | 1.2859 | |
| 22 | A | A | 0.5481 | |
| 23 | Q | A | 0.2250 | |
| 24 | I | A | 1.7947 | |
| 25 | D | A | -0.1690 | |
| 26 | L | A | 1.1657 | |
| 27 | V | A | 1.7585 | |
| 28 | T | A | 0.2195 | |
| 29 | N | A | -1.7522 | |
| 30 | H | A | -2.3046 | |
| 31 | H | A | -2.8031 | |
| 32 | Q | A | -3.1712 | |
| 33 | D | A | -2.8817 | |
| 34 | P | A | -1.6560 | |
| 35 | P | A | -0.6589 | |
| 36 | W | A | 0.2526 | |
| 37 | G | A | -0.9962 | |
| 38 | Q | A | -1.7665 | |
| 39 | P | A | -1.7850 | |
| 40 | Q | A | -2.5038 | |
| 41 | Q | A | -2.5548 | |
| 42 | P | A | -2.4625 | |
| 43 | Q | A | -2.7643 | |
| 44 | P | A | -2.5871 | |
| 45 | R | A | -3.2604 | |
| 46 | H | A | -2.8322 | |
| 47 | Q | A | -2.5565 | |
| 48 | S | A | -1.7639 | |
| 49 | Q | A | -2.0364 | |
| 50 | C | A | -1.6284 | |
| 51 | Q | A | -2.2218 | |
| 52 | L | A | 0.0000 | |
| 53 | Q | A | -2.5078 | |
| 54 | N | A | -2.7239 | |
| 55 | L | A | 0.0000 | |
| 56 | N | A | -2.3097 | |
| 57 | A | A | -1.6542 | |
| 58 | L | A | -1.3077 | |
| 59 | Q | A | -2.0937 | |
| 60 | P | A | -2.0110 | |
| 61 | K | A | -2.6870 | |
| 62 | H | A | -2.2948 | |
| 63 | R | A | -2.7509 | |
| 64 | F | A | -1.7419 | |
| 65 | R | A | -2.6323 | |
| 66 | S | A | 0.0000 | |
| 67 | E | A | -2.3593 | |
| 68 | A | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | E | A | 0.0000 | |
| 71 | T | A | 0.0000 | |
| 72 | E | A | 0.0000 | |
| 73 | F | A | 0.0000 | |
| 74 | W | A | 0.0000 | |
| 75 | D | A | -1.7820 | |
| 76 | Q | A | 0.0000 | |
| 77 | N | A | -1.7398 | |
| 78 | E | A | -2.3397 | |
| 79 | D | A | -3.1188 | |
| 80 | Q | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | Q | A | -2.1728 | |
| 83 | C | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | -1.2443 | |
| 86 | V | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | F | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | R | A | -0.4852 | |
| 91 | H | A | 0.0000 | |
| 92 | K | A | -1.0538 | |
| 93 | I | A | 0.0000 | |
| 94 | Q | A | -2.5991 | |
| 95 | R | A | -3.3970 | |
| 96 | K | A | -3.0040 | |
| 97 | G | A | 0.0000 | |
| 98 | L | A | -0.7048 | |
| 99 | L | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | P | A | 0.4764 | |
| 102 | S | A | 0.0000 | |
| 103 | F | A | 0.5671 | |
| 104 | T | A | 0.0000 | |
| 105 | S | A | -0.4460 | |
| 106 | A | A | 0.0000 | |
| 107 | P | A | 0.0000 | |
| 108 | M | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | F | A | 0.0000 | |
| 111 | Y | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | E | A | 0.0000 | |
| 114 | Q | A | -2.0479 | |
| 115 | G | A | -2.5204 | |
| 116 | E | A | -3.1327 | |
| 117 | G | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | H | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | V | A | 0.6517 | |
| 123 | F | A | 0.0000 | |
| 124 | P | A | -0.2607 | |
| 125 | G | A | -0.5587 | |
| 126 | C | A | 0.0000 | |
| 127 | P | A | -1.1273 | |
| 128 | E | A | -2.5299 | |
| 129 | T | A | -1.8698 | |
| 130 | Y | A | -2.1058 | |
| 131 | Q | A | -3.3809 | |
| 132 | S | A | -3.3801 | |
| 133 | Q | A | -2.8596 | |
| 134 | S | A | -3.0394 | |
| 135 | Q | A | -2.4676 | |
| 136 | Q | A | -2.3921 | |
| 137 | N | A | -2.2666 | |
| 138 | I | A | -0.5472 | |
| 139 | Q | A | -2.1037 | |
| 140 | D | A | -3.2311 | |
| 141 | R | A | -3.8790 | |
| 142 | P | A | -3.1259 | |
| 143 | Q | A | -3.6287 | |
| 144 | R | A | -4.5043 | |
| 145 | D | A | -4.3504 | |
| 146 | Q | A | -3.8852 | |
| 147 | H | A | -2.1565 | |
| 148 | Q | A | -1.4268 | |
| 149 | K | A | -1.3055 | |
| 150 | L | A | 0.0000 | |
| 151 | R | A | -1.4753 | |
| 152 | R | A | -2.2680 | |
| 153 | L | A | 0.0000 | |
| 154 | K | A | -2.9225 | |
| 155 | E | A | -2.8785 | |
| 156 | G | A | -1.8471 | |
| 157 | D | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | A | A | -0.3011 | |
| 164 | G | A | -0.1769 | |
| 165 | V | A | 0.0000 | |
| 166 | A | A | 0.5408 | |
| 167 | H | A | 0.0000 | |
| 168 | W | A | 0.3918 | |
| 169 | I | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | N | A | 0.0000 | |
| 172 | N | A | -2.7682 | |
| 173 | G | A | -2.7559 | |
| 174 | R | A | -3.0760 | |
| 175 | S | A | -2.4385 | |
| 176 | Q | A | -2.2286 | |
| 177 | L | A | 0.0000 | |
| 178 | V | A | -0.9402 | |
| 179 | L | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | D | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | G | A | -1.7225 | |
| 187 | N | A | -1.8060 | |
| 188 | D | A | -2.2855 | |
| 189 | A | A | -1.0865 | |
| 190 | N | A | -1.5791 | |
| 191 | Q | A | -1.4442 | |
| 192 | L | A | -0.2111 | |
| 193 | D | A | -1.5494 | |
| 194 | E | A | -2.5393 | |
| 195 | N | A | -1.8051 | |
| 196 | F | A | 0.0000 | |
| 197 | R | A | -0.6192 | |
| 198 | K | A | 0.0000 | |
| 199 | F | A | 0.7460 | |
| 200 | F | A | 0.0000 | |
| 201 | L | A | 0.7984 | |
| 202 | A | A | 0.1651 | |
| 203 | G | A | 0.0000 | |
| 204 | S | A | -1.6152 | |
| 205 | P | A | 0.0000 | |
| 206 | Q | A | -1.1180 | |
| 207 | G | A | -0.9545 | |
| 208 | G | A | -0.9952 | |
| 209 | V | A | 0.0000 | |
| 210 | V | A | -0.1323 | |
| 211 | R | A | -0.9922 | |
| 212 | G | A | 0.0000 | |
| 213 | G | A | -1.4394 | |
| 214 | Q | A | -1.6171 | |
| 215 | S | A | -2.2185 | |
| 216 | R | A | -3.9069 | |
| 217 | D | A | -5.0036 | |
| 218 | R | A | -4.8057 | |
| 219 | N | A | -4.3375 | |
| 220 | Q | A | -4.6945 | |
| 221 | R | A | -5.3266 | |
| 222 | Q | A | -3.7455 | |
| 223 | S | A | -2.6563 | |
| 224 | R | A | -3.4652 | |
| 225 | T | A | -2.8312 | |
| 226 | Q | A | -3.7015 | |
| 227 | R | A | -4.2581 | |
| 228 | G | A | -4.4696 | |
| 229 | E | A | -5.4046 | |
| 230 | R | A | -5.8015 | |
| 231 | E | A | -5.6799 | |
| 232 | E | A | -5.5141 | |
| 233 | E | A | -5.5805 | |
| 234 | E | A | -5.2665 | |
| 235 | S | A | -3.9566 | |
| 236 | Q | A | -3.6635 | |
| 237 | E | A | -3.7367 | |
| 238 | S | A | -2.6848 | |
| 239 | G | A | -2.3121 | |
| 240 | G | A | -2.2283 | |
| 241 | N | A | -0.9599 | |
| 242 | N | A | 0.0000 | |
| 243 | V | A | 0.8382 | |
| 244 | L | A | -0.1198 | |
| 245 | S | A | -1.0082 | |
| 246 | G | A | -0.2650 | |
| 247 | F | A | 0.1184 | |
| 248 | R | A | -1.6414 | |
| 249 | D | A | -2.2790 | |
| 250 | N | A | -1.9871 | |
| 251 | L | A | 0.1854 | |
| 252 | L | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | Q | A | -0.7731 | |
| 255 | A | A | 0.3618 | |
| 256 | F | A | 1.2987 | |
| 257 | G | A | 0.0836 | |
| 258 | I | A | -0.2492 | |
| 259 | D | A | -1.6857 | |
| 260 | T | A | -2.3081 | |
| 261 | R | A | -3.0012 | |
| 262 | L | A | -1.4772 | |
| 263 | A | A | 0.0000 | |
| 264 | R | A | -3.9858 | |
| 265 | K | A | -3.3000 | |
| 266 | L | A | -1.3471 | |
| 267 | Q | A | 0.0000 | |
| 268 | N | A | -2.8307 | |
| 269 | E | A | -3.9380 | |
| 270 | R | A | -3.7751 | |
| 271 | D | A | -2.8127 | |
| 272 | N | A | -2.8074 | |
| 273 | R | A | -2.6403 | |
| 274 | G | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | R | A | -2.2502 | |
| 279 | M | A | -1.9525 | |
| 280 | E | A | -2.6449 | |
| 281 | H | A | -2.3910 | |
| 282 | G | A | -1.9399 | |
| 283 | F | A | -1.4546 | |
| 284 | E | A | -2.3206 | |
| 285 | W | A | 0.0000 | |
| 286 | P | A | -2.6400 | |
| 287 | E | A | -3.3213 | |
| 288 | E | A | -4.0108 | |
| 289 | G | A | -3.8194 | |
| 290 | Q | A | -4.2318 | |
| 291 | R | A | -5.1793 | |
| 292 | R | A | -5.4929 | |
| 293 | Q | A | -5.1039 | |
| 294 | G | A | -4.7104 | |
| 295 | R | A | -5.8459 | |
| 296 | E | A | -6.0293 | |
| 297 | E | A | -6.1009 | |
| 298 | E | A | -5.8086 | |
| 299 | G | A | -5.3316 | |
| 300 | E | A | -5.9552 | |
| 301 | E | A | -6.2147 | |
| 302 | E | A | -5.6244 | |
| 303 | R | A | -4.9284 | |
| 304 | E | A | -4.6458 | |
| 305 | P | A | -3.1663 | |
| 306 | K | A | -3.6908 | |
| 307 | W | A | -1.8340 | |
| 308 | Q | A | -3.4055 | |
| 309 | R | A | -4.5068 | |
| 310 | R | A | -4.4767 | |
| 311 | Q | A | -4.1453 | |
| 312 | E | A | -4.4374 | |
| 313 | S | A | -3.7590 | |
| 314 | Q | A | -4.1062 | |
| 315 | E | A | -4.1446 | |
| 316 | E | A | -4.1063 | |
| 317 | G | A | -3.7668 | |
| 318 | S | A | -4.1682 | |
| 319 | E | A | -5.3148 | |
| 320 | E | A | -6.0755 | |
| 321 | E | A | -6.1341 | |
| 322 | E | A | -6.3607 | |
| 323 | R | A | -6.7860 | |
| 324 | E | A | -6.6136 | |
| 325 | E | A | -6.5295 | |
| 326 | R | A | -6.0292 | |
| 327 | G | A | -4.6951 | |
| 328 | R | A | -4.8818 | |
| 329 | G | A | -4.1086 | |
| 330 | R | A | -4.8567 | |
| 331 | R | A | -4.2303 | |
| 332 | R | A | -3.8590 | |
| 333 | S | A | -2.6072 | |
| 334 | G | A | -2.1346 | |
| 335 | N | A | -2.1960 | |
| 336 | G | A | -1.0682 | |
| 337 | L | A | 0.1075 | |
| 338 | E | A | -1.5540 | |
| 339 | E | A | -2.1431 | |
| 340 | T | A | -0.8770 | |
| 341 | F | A | 0.2646 | |
| 342 | C | A | 0.0000 | |
| 343 | S | A | -0.9789 | |
| 344 | M | A | -0.7902 | |
| 345 | R | A | -1.8331 | |
| 346 | L | A | 0.0000 | |
| 347 | K | A | -1.4427 | |
| 348 | H | A | -1.3962 | |
| 349 | R | A | -2.1036 | |
| 350 | T | A | 0.0000 | |
| 351 | P | A | -0.8628 | |
| 352 | A | A | -0.3576 | |
| 353 | S | A | -0.3205 | |
| 354 | S | A | -0.6749 | |
| 355 | A | A | -0.4878 | |
| 356 | D | A | -1.2840 | |
| 357 | V | A | 0.3109 | |
| 358 | F | A | 1.1435 | |
| 359 | N | A | 0.1048 | |
| 360 | P | A | -0.7586 | |
| 361 | R | A | -1.9503 | |
| 362 | G | A | 0.0000 | |
| 363 | G | A | 0.0000 | |
| 364 | R | A | -0.1648 | |
| 365 | I | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | T | A | -0.3779 | |
| 368 | V | A | 0.0000 | |
| 369 | N | A | -0.1595 | |
| 370 | S | A | 0.1811 | |
| 371 | F | A | 1.4125 | |
| 372 | N | A | 0.0431 | |
| 373 | L | A | 0.0000 | |
| 374 | P | A | -0.3218 | |
| 375 | I | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | Q | A | -0.6827 | |
| 378 | Y | A | 0.4577 | |
| 379 | L | A | 0.0000 | |
| 380 | Q | A | -1.0433 | |
| 381 | L | A | 0.0000 | |
| 382 | S | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | E | A | 0.0000 | |
| 385 | R | A | -0.3619 | |
| 386 | G | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | Y | A | -1.4887 | |
| 390 | N | A | -2.6062 | |
| 391 | N | A | -2.4320 | |
| 392 | A | A | 0.0000 | |
| 393 | I | A | -0.1869 | |
| 394 | Y | A | 0.0000 | |
| 395 | A | A | 0.0000 | |
| 396 | P | A | 0.2747 | |
| 397 | H | A | 0.0000 | |
| 398 | W | A | -0.1582 | |
| 399 | N | A | 0.0000 | |
| 400 | M | A | -0.4508 | |
| 401 | N | A | -0.8070 | |
| 402 | A | A | 0.0000 | |
| 403 | H | A | -0.5880 | |
| 404 | S | A | 0.0000 | |
| 405 | I | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | I | A | 0.0000 | |
| 409 | T | A | 0.0000 | |
| 410 | R | A | -2.7078 | |
| 411 | G | A | -2.6917 | |
| 412 | N | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | R | A | -3.5876 | |
| 415 | I | A | 0.0000 | |
| 416 | Q | A | -1.5677 | |
| 417 | I | A | 0.0000 | |
| 418 | V | A | -1.3355 | |
| 419 | S | A | -2.5935 | |
| 420 | E | A | -3.1960 | |
| 421 | N | A | -2.8929 | |
| 422 | G | A | -2.4062 | |
| 423 | E | A | -2.9806 | |
| 424 | A | A | -1.7877 | |
| 425 | I | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | D | A | -2.5707 | |
| 428 | E | A | -3.7781 | |
| 429 | Q | A | -3.5890 | |
| 430 | V | A | 0.0000 | |
| 431 | E | A | -3.7700 | |
| 432 | R | A | -3.4436 | |
| 433 | G | A | -2.0125 | |
| 434 | Q | A | -1.7711 | |
| 435 | V | A | 0.0000 | |
| 436 | I | A | 0.0000 | |
| 437 | T | A | 0.0000 | |
| 438 | V | A | 0.0000 | |
| 439 | P | A | 0.0000 | |
| 440 | Q | A | -1.0839 | |
| 441 | N | A | -1.5955 | |
| 442 | H | A | 0.0000 | |
| 443 | A | A | -0.3330 | |
| 444 | V | A | 0.0000 | |
| 445 | V | A | -0.0481 | |
| 446 | K | A | 0.0000 | |
| 447 | K | A | -1.7048 | |
| 448 | A | A | 0.0000 | |
| 449 | G | A | -2.7483 | |
| 450 | R | A | -3.2760 | |
| 451 | R | A | -3.2523 | |
| 452 | G | A | 0.0000 | |
| 453 | F | A | 0.0000 | |
| 454 | E | A | 0.0000 | |
| 455 | W | A | 0.0000 | |
| 456 | I | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | F | A | 0.0000 | |
| 459 | K | A | 0.0000 | |
| 460 | T | A | -0.5224 | |
| 461 | N | A | -0.9710 | |
| 462 | A | A | 0.0000 | |
| 463 | N | A | -0.8849 | |
| 464 | A | A | -1.0047 | |
| 465 | K | A | -1.4157 | |
| 466 | I | A | -0.3377 | |
| 467 | S | A | 0.3359 | |
| 468 | Q | A | 0.0000 | |
| 469 | I | A | 0.6863 | |
| 470 | A | A | -0.0490 | |
| 471 | G | A | 0.0000 | |
| 472 | R | A | -1.5726 | |
| 473 | V | A | 0.8443 | |
| 474 | S | A | 0.0000 | |
| 475 | I | A | 0.9273 | |
| 476 | M | A | 0.6565 | |
| 477 | R | A | -0.0510 | |
| 478 | G | A | 0.0782 | |
| 479 | L | A | 0.5244 | |
| 480 | P | A | 0.0196 | |
| 481 | V | A | -1.0820 | |
| 482 | D | A | -1.0580 | |
| 483 | V | A | 0.1656 | |
| 484 | L | A | 0.0000 | |
| 485 | A | A | -1.1060 | |
| 486 | N | A | -1.1143 | |
| 487 | S | A | -0.0157 | |
| 488 | F | A | 0.7867 | |
| 489 | G | A | -0.2135 | |
| 490 | I | A | -0.7169 | |
| 491 | S | A | -1.9731 | |
| 492 | R | A | -3.0609 | |
| 493 | E | A | -3.3407 | |
| 494 | E | A | -3.1301 | |
| 495 | A | A | 0.0000 | |
| 496 | M | A | -2.3685 | |
| 497 | R | A | -3.2304 | |
| 498 | L | A | -1.5022 | |
| 499 | K | A | -1.5538 | |
| 500 | H | A | -2.5699 | |
| 501 | N | A | -2.5119 | |
| 502 | R | A | -2.0853 | |
| 503 | Q | A | -2.0957 | |
| 504 | E | A | -0.9281 | |
| 505 | V | A | 0.2701 | |
| 506 | S | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | S | A | -1.4078 | |
| 510 | P | A | -1.9420 | |
| 511 | R | A | -2.5188 | |
| 512 | Q | A | -2.4292 | |
| 513 | G | A | -2.1636 | |
| 514 | S | A | -2.1820 | |
| 515 | Q | A | -2.4672 | |
| 516 | Q | A | -1.9237 |
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 | -1.1843 | 6.0826 | View | CSV | PDB |
| 4.5 | -1.2722 | 6.1023 | View | CSV | PDB |
| 5.0 | -1.3875 | 6.1528 | View | CSV | PDB |
| 5.5 | -1.5115 | 6.2508 | View | CSV | PDB |
| 6.0 | -1.6256 | 6.3768 | View | CSV | PDB |
| 6.5 | -1.7142 | 6.4793 | View | CSV | PDB |
| 7.0 | -1.7699 | 6.5341 | View | CSV | PDB |
| 7.5 | -1.7992 | 6.556 | View | CSV | PDB |
| 8.0 | -1.8128 | 6.5635 | View | CSV | PDB |
| 8.5 | -1.8166 | 6.5659 | View | CSV | PDB |
| 9.0 | -1.8123 | 6.5667 | 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