| Chain sequence(s) |
A: MGTTARAALVLTYLAVASAASEGGFTATGQRQLRPEHFQEVGYAAPPSPPLSRSLPMDHPDSSQHGPPFEGQSQVQPPPSQEATPLQQEKLLPAQLPAEKEVGPPLPQEAVPLQKELPSLQHPNEQKEGTPAPFGDQSHPEPESWNAAQHCQQDRSQGGWGHRLDGFPPGRPSPDNLNQICLPNRQHVVYGPWNLPQSSYSHLTRQGETLNFLEIGYSRCCHCRSHTNRLECAKLVWEEAMSRFCEAEFSVKTRPHWCCTRQGEARFSCFQEEAPQPHYQLRACPSHQPDISSGLELPFPPGVPTLDNIKNICHLRRFRSVPRNLPATDPLQRELLALIQLEREFQRCCRQGNNHTCTWKAWEDTLDKYCDREYAVKTHHHLCCRHPPSPTRDECFARRAPYPNYDRDILTIDIGRVTPNLMGHLCGNQRVLTKHKHIPGLIHNMTARCCDLPFPEQACCAEEEKLTFINDLCGPRRNIWRDPALCCYLSPGDEQVNCFNINYLRNVALVSGDTENAKGQGEQGSTGGTNISSTSEPKEE
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] (00:00:14)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:14)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:14)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:14)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:18)
[INFO] FoldX: Starting FoldX energy minimization (00:00:18)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:19)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c3a618ffeb3e759/tmp/folded.pdb (00:12:19)
[INFO] Main: Simulation completed successfully. (00:20:46)
|
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 | 0.8038 | |
| 2 | G | A | -0.0006 | |
| 3 | T | A | -0.2856 | |
| 4 | T | A | -0.5547 | |
| 5 | A | A | -0.9215 | |
| 6 | R | A | -1.6414 | |
| 7 | A | A | -0.2859 | |
| 8 | A | A | 0.7320 | |
| 9 | L | A | 2.7331 | |
| 10 | V | A | 3.5207 | |
| 11 | L | A | 3.2033 | |
| 12 | T | A | 2.2923 | |
| 13 | Y | A | 2.6160 | |
| 14 | L | A | 2.7469 | |
| 15 | A | A | 2.0274 | |
| 16 | V | A | 2.1155 | |
| 17 | A | A | 0.9942 | |
| 18 | S | A | 0.2646 | |
| 19 | A | A | -0.0460 | |
| 20 | A | A | -0.4511 | |
| 21 | S | A | -1.1625 | |
| 22 | E | A | -2.2463 | |
| 23 | G | A | -1.1966 | |
| 24 | G | A | -0.1440 | |
| 25 | F | A | 1.5751 | |
| 26 | T | A | 0.6421 | |
| 27 | A | A | 0.1838 | |
| 28 | T | A | -0.6199 | |
| 29 | G | A | -1.8593 | |
| 30 | Q | A | -2.4757 | |
| 31 | R | A | -3.0235 | |
| 32 | Q | A | -2.3745 | |
| 33 | L | A | -1.0171 | |
| 34 | R | A | -2.5102 | |
| 35 | P | A | -2.0268 | |
| 36 | E | A | -2.7369 | |
| 37 | H | A | -3.0063 | |
| 38 | F | A | -2.2632 | |
| 39 | Q | A | -3.0278 | |
| 40 | E | A | -2.9882 | |
| 41 | V | A | 0.0000 | |
| 42 | G | A | -1.3169 | |
| 43 | Y | A | -0.5550 | |
| 44 | A | A | -0.1454 | |
| 45 | A | A | -0.3659 | |
| 46 | P | A | -0.3018 | |
| 47 | P | A | -0.5833 | |
| 48 | S | A | -0.3495 | |
| 49 | P | A | -0.2223 | |
| 50 | P | A | -0.0290 | |
| 51 | L | A | 0.6805 | |
| 52 | S | A | -0.3206 | |
| 53 | R | A | -1.2584 | |
| 54 | S | A | -0.1235 | |
| 55 | L | A | 0.8560 | |
| 56 | P | A | 0.1757 | |
| 57 | M | A | 0.1408 | |
| 58 | D | A | -1.7039 | |
| 59 | H | A | -2.1961 | |
| 60 | P | A | -1.9459 | |
| 61 | D | A | -2.4373 | |
| 62 | S | A | -1.7639 | |
| 63 | S | A | -1.6451 | |
| 64 | Q | A | -2.1581 | |
| 65 | H | A | -1.9755 | |
| 66 | G | A | -1.1552 | |
| 67 | P | A | -0.6827 | |
| 68 | P | A | -0.2799 | |
| 69 | F | A | 0.5104 | |
| 70 | E | A | -1.5466 | |
| 71 | G | A | -1.6425 | |
| 72 | Q | A | -1.7683 | |
| 73 | S | A | -1.4354 | |
| 74 | Q | A | -1.1881 | |
| 75 | V | A | 0.2672 | |
| 76 | Q | A | -0.9156 | |
| 77 | P | A | -0.7299 | |
| 78 | P | A | -0.7425 | |
| 79 | P | A | -1.2376 | |
| 80 | S | A | -1.4889 | |
| 81 | Q | A | -2.2919 | |
| 82 | E | A | -2.5101 | |
| 83 | A | A | -1.0945 | |
| 84 | T | A | -0.3880 | |
| 85 | P | A | 0.0436 | |
| 86 | L | A | 0.2952 | |
| 87 | Q | A | -1.6124 | |
| 88 | Q | A | -2.7134 | |
| 89 | E | A | -2.8975 | |
| 90 | K | A | -1.8955 | |
| 91 | L | A | 0.8638 | |
| 92 | L | A | 1.3654 | |
| 93 | P | A | 0.6605 | |
| 94 | A | A | 0.2009 | |
| 95 | Q | A | -0.3405 | |
| 96 | L | A | 0.8313 | |
| 97 | P | A | -0.2798 | |
| 98 | A | A | -1.2102 | |
| 99 | E | A | -2.9378 | |
| 100 | K | A | -3.1880 | |
| 101 | E | A | -2.3043 | |
| 102 | V | A | 0.0615 | |
| 103 | G | A | -0.2539 | |
| 104 | P | A | -0.1435 | |
| 105 | P | A | 0.2084 | |
| 106 | L | A | 1.0202 | |
| 107 | P | A | -0.5822 | |
| 108 | Q | A | -1.7995 | |
| 109 | E | A | -2.1091 | |
| 110 | A | A | -0.3167 | |
| 111 | V | A | 1.4537 | |
| 112 | P | A | 0.9854 | |
| 113 | L | A | 0.4902 | |
| 114 | Q | A | -1.7727 | |
| 115 | K | A | -2.4923 | |
| 116 | E | A | -2.0357 | |
| 117 | L | A | 0.0939 | |
| 118 | P | A | -0.0271 | |
| 119 | S | A | 0.1942 | |
| 120 | L | A | 0.5702 | |
| 121 | Q | A | -1.1900 | |
| 122 | H | A | -1.8931 | |
| 123 | P | A | -1.9784 | |
| 124 | N | A | -2.9158 | |
| 125 | E | A | -3.8046 | |
| 126 | Q | A | -3.7998 | |
| 127 | K | A | -3.7142 | |
| 128 | E | A | -3.4184 | |
| 129 | G | A | -1.9939 | |
| 130 | T | A | -1.0019 | |
| 131 | P | A | -0.4092 | |
| 132 | A | A | 0.2484 | |
| 133 | P | A | 0.3656 | |
| 134 | F | A | 0.9618 | |
| 135 | G | A | -0.7427 | |
| 136 | D | A | -2.3344 | |
| 137 | Q | A | -2.3498 | |
| 138 | S | A | -2.3018 | |
| 139 | H | A | -2.3746 | |
| 140 | P | A | -2.2252 | |
| 141 | E | A | -2.8953 | |
| 142 | P | A | -2.1004 | |
| 143 | E | A | -2.4197 | |
| 144 | S | A | -1.2919 | |
| 145 | W | A | -0.2849 | |
| 146 | N | A | -1.4090 | |
| 147 | A | A | -1.1111 | |
| 148 | A | A | -1.3963 | |
| 149 | Q | A | -2.2947 | |
| 150 | H | A | -2.8623 | |
| 151 | C | A | -2.5321 | |
| 152 | Q | A | -3.5015 | |
| 153 | Q | A | -4.0306 | |
| 154 | D | A | -4.3669 | |
| 155 | R | A | -4.1352 | |
| 156 | S | A | -2.9599 | |
| 157 | Q | A | -2.9250 | |
| 158 | G | A | -2.1214 | |
| 159 | G | A | -1.4679 | |
| 160 | W | A | -0.4310 | |
| 161 | G | A | -1.2860 | |
| 162 | H | A | -1.2685 | |
| 163 | R | A | -1.3760 | |
| 164 | L | A | 0.0000 | |
| 165 | D | A | -1.9971 | |
| 166 | G | A | -1.2241 | |
| 167 | F | A | 0.0000 | |
| 168 | P | A | 0.0000 | |
| 169 | P | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | R | A | -0.9495 | |
| 172 | P | A | 0.0000 | |
| 173 | S | A | -1.4247 | |
| 174 | P | A | -1.5059 | |
| 175 | D | A | -2.3721 | |
| 176 | N | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | N | A | -1.9179 | |
| 179 | Q | A | -1.3350 | |
| 180 | I | A | 0.0000 | |
| 181 | C | A | -0.6753 | |
| 182 | L | A | -0.3533 | |
| 183 | P | A | -1.0574 | |
| 184 | N | A | -1.5731 | |
| 185 | R | A | -1.1402 | |
| 186 | Q | A | -1.2309 | |
| 187 | H | A | -0.4218 | |
| 188 | V | A | 0.6261 | |
| 189 | V | A | 0.2697 | |
| 190 | Y | A | 0.0000 | |
| 191 | G | A | -0.3336 | |
| 192 | P | A | -0.2980 | |
| 193 | W | A | 0.3225 | |
| 194 | N | A | -0.0747 | |
| 195 | L | A | 0.0000 | |
| 196 | P | A | -0.5166 | |
| 197 | Q | A | -1.2931 | |
| 198 | S | A | -0.7825 | |
| 199 | S | A | -0.3977 | |
| 200 | Y | A | -0.2023 | |
| 201 | S | A | -0.3007 | |
| 202 | H | A | -0.7270 | |
| 203 | L | A | 0.0000 | |
| 204 | T | A | -0.8157 | |
| 205 | R | A | 0.0000 | |
| 206 | Q | A | 0.0000 | |
| 207 | G | A | 0.0000 | |
| 208 | E | A | -1.9770 | |
| 209 | T | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | N | A | 0.0000 | |
| 212 | F | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | E | A | -0.5879 | |
| 215 | I | A | -0.5599 | |
| 216 | G | A | 0.0000 | |
| 217 | Y | A | 0.0000 | |
| 218 | S | A | -0.7601 | |
| 219 | R | A | -0.9886 | |
| 220 | C | A | 0.0000 | |
| 221 | C | A | -0.7820 | |
| 222 | H | A | -0.6202 | |
| 223 | C | A | -0.5252 | |
| 224 | R | A | -1.2359 | |
| 225 | S | A | -1.4243 | |
| 226 | H | A | -2.1631 | |
| 227 | T | A | -1.9063 | |
| 228 | N | A | -2.5410 | |
| 229 | R | A | -2.4543 | |
| 230 | L | A | -1.8459 | |
| 231 | E | A | -2.2601 | |
| 232 | C | A | -1.2374 | |
| 233 | A | A | 0.0000 | |
| 234 | K | A | -0.9836 | |
| 235 | L | A | 0.3201 | |
| 236 | V | A | 0.0000 | |
| 237 | W | A | 0.0000 | |
| 238 | E | A | -1.0537 | |
| 239 | E | A | -1.0313 | |
| 240 | A | A | 0.0000 | |
| 241 | M | A | 0.0000 | |
| 242 | S | A | -1.4694 | |
| 243 | R | A | -1.6329 | |
| 244 | F | A | 0.0000 | |
| 245 | C | A | 0.0000 | |
| 246 | E | A | -1.3881 | |
| 247 | A | A | -0.5744 | |
| 248 | E | A | 0.0000 | |
| 249 | F | A | 0.6435 | |
| 250 | S | A | 0.1986 | |
| 251 | V | A | -0.1051 | |
| 252 | K | A | -1.4330 | |
| 253 | T | A | -1.2752 | |
| 254 | R | A | -1.7265 | |
| 255 | P | A | -0.6097 | |
| 256 | H | A | 0.0000 | |
| 257 | W | A | 0.2388 | |
| 258 | C | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | T | A | -0.6944 | |
| 261 | R | A | -2.0984 | |
| 262 | Q | A | -2.4842 | |
| 263 | G | A | -2.2182 | |
| 264 | E | A | -2.5830 | |
| 265 | A | A | -1.8364 | |
| 266 | R | A | -1.8631 | |
| 267 | F | A | -1.6595 | |
| 268 | S | A | -1.5113 | |
| 269 | C | A | 0.0000 | |
| 270 | F | A | 0.0000 | |
| 271 | Q | A | -1.6396 | |
| 272 | E | A | -2.2894 | |
| 273 | E | A | -1.6021 | |
| 274 | A | A | 0.0000 | |
| 275 | P | A | -1.3916 | |
| 276 | Q | A | -1.7582 | |
| 277 | P | A | -1.7091 | |
| 278 | H | A | -1.7786 | |
| 279 | Y | A | -1.5166 | |
| 280 | Q | A | -1.2780 | |
| 281 | L | A | -0.1432 | |
| 282 | R | A | -1.2440 | |
| 283 | A | A | -0.3053 | |
| 284 | C | A | -0.4799 | |
| 285 | P | A | -0.9188 | |
| 286 | S | A | -1.5636 | |
| 287 | H | A | -1.9820 | |
| 288 | Q | A | -2.0990 | |
| 289 | P | A | -1.5541 | |
| 290 | D | A | -1.6409 | |
| 291 | I | A | 0.3256 | |
| 292 | S | A | -0.1659 | |
| 293 | S | A | -0.1263 | |
| 294 | G | A | -0.3791 | |
| 295 | L | A | -0.2343 | |
| 296 | E | A | -1.3062 | |
| 297 | L | A | 0.0000 | |
| 298 | P | A | -0.4189 | |
| 299 | F | A | -0.3631 | |
| 300 | P | A | 0.0000 | |
| 301 | P | A | 0.0000 | |
| 302 | G | A | 0.0000 | |
| 303 | V | A | -0.3575 | |
| 304 | P | A | 0.0000 | |
| 305 | T | A | 0.1173 | |
| 306 | L | A | 0.3617 | |
| 307 | D | A | -1.2128 | |
| 308 | N | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | K | A | -1.5885 | |
| 311 | N | A | 0.0000 | |
| 312 | I | A | 0.0000 | |
| 313 | C | A | 0.0000 | |
| 314 | H | A | -1.0616 | |
| 315 | L | A | 0.0000 | |
| 316 | R | A | -1.7124 | |
| 317 | R | A | -2.4501 | |
| 318 | F | A | -1.5815 | |
| 319 | R | A | -1.2254 | |
| 320 | S | A | -1.0186 | |
| 321 | V | A | -0.4197 | |
| 322 | P | A | -1.2907 | |
| 323 | R | A | -2.1977 | |
| 324 | N | A | -2.0893 | |
| 325 | L | A | -1.0828 | |
| 326 | P | A | -0.6091 | |
| 327 | A | A | -0.7747 | |
| 328 | T | A | -0.9762 | |
| 329 | D | A | -1.9435 | |
| 330 | P | A | -1.1918 | |
| 331 | L | A | -0.3862 | |
| 332 | Q | A | -0.7941 | |
| 333 | R | A | -0.5978 | |
| 334 | E | A | -0.0635 | |
| 335 | L | A | 0.0000 | |
| 336 | L | A | 1.1154 | |
| 337 | A | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | I | A | -0.1551 | |
| 340 | Q | A | -0.7532 | |
| 341 | L | A | 0.0000 | |
| 342 | E | A | -1.7265 | |
| 343 | R | A | -2.8277 | |
| 344 | E | A | -2.5017 | |
| 345 | F | A | 0.0000 | |
| 346 | Q | A | -3.2441 | |
| 347 | R | A | -3.3482 | |
| 348 | C | A | 0.0000 | |
| 349 | C | A | -2.8293 | |
| 350 | R | A | -3.3636 | |
| 351 | Q | A | -2.8042 | |
| 352 | G | A | -2.0664 | |
| 353 | N | A | -1.7581 | |
| 354 | N | A | -1.8557 | |
| 355 | H | A | -0.8776 | |
| 356 | T | A | -0.6063 | |
| 357 | C | A | -1.0023 | |
| 358 | T | A | 0.0000 | |
| 359 | W | A | -0.7944 | |
| 360 | K | A | -2.2559 | |
| 361 | A | A | -2.0418 | |
| 362 | W | A | 0.0000 | |
| 363 | E | A | -2.3446 | |
| 364 | D | A | -3.1050 | |
| 365 | T | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | D | A | -2.9295 | |
| 368 | K | A | -3.1943 | |
| 369 | Y | A | 0.0000 | |
| 370 | C | A | 0.0000 | |
| 371 | D | A | -2.9985 | |
| 372 | R | A | -2.8526 | |
| 373 | E | A | 0.0000 | |
| 374 | Y | A | -1.1962 | |
| 375 | A | A | -0.9360 | |
| 376 | V | A | -1.2671 | |
| 377 | K | A | -1.6585 | |
| 378 | T | A | -1.4842 | |
| 379 | H | A | -1.2205 | |
| 380 | H | A | -1.1097 | |
| 381 | H | A | -0.1469 | |
| 382 | L | A | 0.6208 | |
| 383 | C | A | 0.0000 | |
| 384 | C | A | 0.0000 | |
| 385 | R | A | -1.7210 | |
| 386 | H | A | -1.5196 | |
| 387 | P | A | -1.1994 | |
| 388 | P | A | -1.0765 | |
| 389 | S | A | -0.9744 | |
| 390 | P | A | -0.9676 | |
| 391 | T | A | -1.1315 | |
| 392 | R | A | 0.0000 | |
| 393 | D | A | 0.0000 | |
| 394 | E | A | -2.3530 | |
| 395 | C | A | -1.8216 | |
| 396 | F | A | 0.0000 | |
| 397 | A | A | -1.8661 | |
| 398 | R | A | -3.1153 | |
| 399 | R | A | -2.8756 | |
| 400 | A | A | 0.0000 | |
| 401 | P | A | -1.0804 | |
| 402 | Y | A | -0.3790 | |
| 403 | P | A | -0.7438 | |
| 404 | N | A | -0.7348 | |
| 405 | Y | A | 0.0000 | |
| 406 | D | A | -0.6592 | |
| 407 | R | A | -0.9593 | |
| 408 | D | A | -0.8102 | |
| 409 | I | A | -0.1498 | |
| 410 | L | A | 0.0636 | |
| 411 | T | A | -0.1729 | |
| 412 | I | A | 0.0000 | |
| 413 | D | A | -1.1500 | |
| 414 | I | A | 0.0000 | |
| 415 | G | A | 0.0000 | |
| 416 | R | A | -1.8075 | |
| 417 | V | A | 0.0000 | |
| 418 | T | A | -1.2951 | |
| 419 | P | A | -1.0427 | |
| 420 | N | A | -1.5305 | |
| 421 | L | A | 0.0000 | |
| 422 | M | A | 0.0000 | |
| 423 | G | A | -0.8688 | |
| 424 | H | A | -1.2645 | |
| 425 | L | A | 0.0000 | |
| 426 | C | A | -0.8281 | |
| 427 | G | A | -1.2939 | |
| 428 | N | A | -2.0966 | |
| 429 | Q | A | -1.6632 | |
| 430 | R | A | -1.3179 | |
| 431 | V | A | -0.4636 | |
| 432 | L | A | 0.0000 | |
| 433 | T | A | -1.9784 | |
| 434 | K | A | -3.1520 | |
| 435 | H | A | -2.4229 | |
| 436 | K | A | -2.6111 | |
| 437 | H | A | -1.3480 | |
| 438 | I | A | 0.0000 | |
| 439 | P | A | -1.4392 | |
| 440 | G | A | -1.5006 | |
| 441 | L | A | 0.0000 | |
| 442 | I | A | 0.0000 | |
| 443 | H | A | -2.0155 | |
| 444 | N | A | -2.3614 | |
| 445 | M | A | 0.0000 | |
| 446 | T | A | -1.5017 | |
| 447 | A | A | -1.7803 | |
| 448 | R | A | -2.6047 | |
| 449 | C | A | 0.0000 | |
| 450 | C | A | -1.0891 | |
| 451 | D | A | -1.8200 | |
| 452 | L | A | -0.7599 | |
| 453 | P | A | -0.0705 | |
| 454 | F | A | 0.8304 | |
| 455 | P | A | 0.0153 | |
| 456 | E | A | -0.8858 | |
| 457 | Q | A | -0.6690 | |
| 458 | A | A | 0.0000 | |
| 459 | C | A | -0.6364 | |
| 460 | C | A | -1.3046 | |
| 461 | A | A | 0.0000 | |
| 462 | E | A | -1.2658 | |
| 463 | E | A | -1.7989 | |
| 464 | E | A | -1.7310 | |
| 465 | K | A | 0.0000 | |
| 466 | L | A | -0.7612 | |
| 467 | T | A | -0.9525 | |
| 468 | F | A | -1.0478 | |
| 469 | I | A | 0.0000 | |
| 470 | N | A | -1.9058 | |
| 471 | D | A | -1.8397 | |
| 472 | L | A | 0.0000 | |
| 473 | C | A | -1.1832 | |
| 474 | G | A | -1.8643 | |
| 475 | P | A | -1.6146 | |
| 476 | R | A | -2.1075 | |
| 477 | R | A | -2.2412 | |
| 478 | N | A | -1.5360 | |
| 479 | I | A | 0.3842 | |
| 480 | W | A | -1.0247 | |
| 481 | R | A | -1.9101 | |
| 482 | D | A | -0.9376 | |
| 483 | P | A | -0.4888 | |
| 484 | A | A | 0.3000 | |
| 485 | L | A | 1.5141 | |
| 486 | C | A | 0.0000 | |
| 487 | C | A | 0.0000 | |
| 488 | Y | A | 1.9714 | |
| 489 | L | A | 1.2224 | |
| 490 | S | A | 0.0864 | |
| 491 | P | A | -0.4380 | |
| 492 | G | A | -0.6792 | |
| 493 | D | A | -0.6632 | |
| 494 | E | A | -0.7684 | |
| 495 | Q | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | N | A | -0.5948 | |
| 498 | C | A | 0.0286 | |
| 499 | F | A | 0.0000 | |
| 500 | N | A | -0.8099 | |
| 501 | I | A | -0.3995 | |
| 502 | N | A | -0.8416 | |
| 503 | Y | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | R | A | -1.4118 | |
| 506 | N | A | -1.5698 | |
| 507 | V | A | 0.0000 | |
| 508 | A | A | 0.0000 | |
| 509 | L | A | 0.0000 | |
| 510 | V | A | 0.0000 | |
| 511 | S | A | -1.5061 | |
| 512 | G | A | -2.2347 | |
| 513 | D | A | -2.9458 | |
| 514 | T | A | -2.5984 | |
| 515 | E | A | -3.4374 | |
| 516 | N | A | -3.2362 | |
| 517 | A | A | -2.5935 | |
| 518 | K | A | -3.5493 | |
| 519 | G | A | -2.8964 | |
| 520 | Q | A | -2.9468 | |
| 521 | G | A | -2.8687 | |
| 522 | E | A | -3.4184 | |
| 523 | Q | A | -2.7100 | |
| 524 | G | A | -1.9005 | |
| 525 | S | A | -1.2320 | |
| 526 | T | A | -0.7755 | |
| 527 | G | A | -1.0076 | |
| 528 | G | A | -0.8607 | |
| 529 | T | A | -0.5485 | |
| 530 | N | A | -0.4861 | |
| 531 | I | A | 1.1208 | |
| 532 | S | A | 0.3658 | |
| 533 | S | A | -0.3108 | |
| 534 | T | A | -0.6216 | |
| 535 | S | A | -1.4690 | |
| 536 | E | A | -2.6205 | |
| 537 | P | A | -2.4172 | |
| 538 | K | A | -3.5472 | |
| 539 | E | A | -3.7681 | |
| 540 | E | A | -3.0973 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.4859 | 5.6832 | View | CSV | PDB |
| 4.5 | -0.5526 | 5.5794 | View | CSV | PDB |
| 5.0 | -0.634 | 5.4368 | View | CSV | PDB |
| 5.5 | -0.7146 | 5.2769 | View | CSV | PDB |
| 6.0 | -0.7799 | 5.1188 | View | CSV | PDB |
| 6.5 | -0.8223 | 4.9802 | View | CSV | PDB |
| 7.0 | -0.8437 | 4.8724 | View | CSV | PDB |
| 7.5 | -0.8516 | 4.791 | View | CSV | PDB |
| 8.0 | -0.8518 | 4.7242 | View | CSV | PDB |
| 8.5 | -0.8456 | 4.6659 | View | CSV | PDB |
| 9.0 | -0.8314 | 4.6179 | 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