| Chain sequence(s) |
A: HHHHHHSLFLIESEPSTGASVSKNLTEIILIFSNDINKVSQLALTDLITDSDIQGIDYNIEGNKVIINNFSLEPTCNYRLSYEVIDIYDNHLQGYIEFLVGGGGSGGGGSANLNGTLMQYFEWYMPNDGQHWKRLQNDSAYLAEHGITAVWIPPAYKTSQADVGYGAYDLYDLGEFHQKGTVRTKYGTKGELQSAIKSLHSRDINVYGDVVINHKGGADATEDVTAVEVDPADRNRVISGEHRIKAWTHFHFPGRGSTYSDFKWHWYHFDGTDWDESRKLNRIYKFQGKAWDWEVSNENGNYDYLMYADIDYDHPDVAAEIKRWGTWYANELQLDGFRLDAVKHIKFSFLRDWVNHVREKTGKEMFTVAEYWQNDLGALENYLNKTNFHSVFDVPLHYQFHAASTQGGGYDMRKLLNSTVVSKHPLKAVTFVDNHDTQPGQSLESTVQTWFKPLAYAFILTRESGYPQVFYGDMYGTKGDSQREIPALKHKIEPILKARKQYAYGAQHDYFDHHDIVGWTREGDSSVANSGLAALITDGPGGAKRMYVGRQNAGETWHDITGNRSEPVVINSEGWGEFHVNGGSVSIYVQR
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/74a3ff9cd024b41/tmp/folded.pdb (00:05:07)
[INFO] Main: Simulation completed successfully. (00:10:17)
|
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 | H | A | -2.0508 | |
| 2 | H | A | -2.6978 | |
| 3 | H | A | -2.8589 | |
| 4 | H | A | -2.7938 | |
| 5 | H | A | -2.7823 | |
| 6 | H | A | -2.3798 | |
| 7 | S | A | -1.0417 | |
| 8 | L | A | 0.0000 | |
| 9 | F | A | 0.5382 | |
| 10 | L | A | 0.3194 | |
| 11 | I | A | -0.5727 | |
| 12 | E | A | -1.7885 | |
| 13 | S | A | 0.0000 | |
| 14 | E | A | -2.1168 | |
| 15 | P | A | -1.4180 | |
| 16 | S | A | -1.3093 | |
| 17 | T | A | -0.8989 | |
| 18 | G | A | -0.5752 | |
| 19 | A | A | -0.6363 | |
| 20 | S | A | -0.3609 | |
| 21 | V | A | -0.5578 | |
| 22 | S | A | -1.3197 | |
| 23 | K | A | -2.3766 | |
| 24 | N | A | -2.4128 | |
| 25 | L | A | -1.5932 | |
| 26 | T | A | -1.6452 | |
| 27 | E | A | -2.0179 | |
| 28 | I | A | 0.0000 | |
| 29 | I | A | -0.8952 | |
| 30 | L | A | 0.0000 | |
| 31 | I | A | -0.9311 | |
| 32 | F | A | 0.0000 | |
| 33 | S | A | -0.4018 | |
| 34 | N | A | 0.0000 | |
| 35 | D | A | -1.9891 | |
| 36 | I | A | 0.0000 | |
| 37 | N | A | -2.2335 | |
| 38 | K | A | -2.7656 | |
| 39 | V | A | 0.0000 | |
| 40 | S | A | -1.0885 | |
| 41 | Q | A | -1.4250 | |
| 42 | L | A | -0.5498 | |
| 43 | A | A | -0.7882 | |
| 44 | L | A | 0.0000 | |
| 45 | T | A | -1.4334 | |
| 46 | D | A | -0.9385 | |
| 47 | L | A | 0.1391 | |
| 48 | I | A | 1.4657 | |
| 49 | T | A | -0.1717 | |
| 50 | D | A | -1.6605 | |
| 51 | S | A | -1.5646 | |
| 52 | D | A | -2.4063 | |
| 53 | I | A | -1.2662 | |
| 54 | Q | A | -1.7338 | |
| 55 | G | A | -1.4742 | |
| 56 | I | A | -1.5157 | |
| 57 | D | A | -2.3155 | |
| 58 | Y | A | -1.0883 | |
| 59 | N | A | -1.8431 | |
| 60 | I | A | -1.9271 | |
| 61 | E | A | -2.9180 | |
| 62 | G | A | -2.1475 | |
| 63 | N | A | -2.0494 | |
| 64 | K | A | -1.8987 | |
| 65 | V | A | 0.0000 | |
| 66 | I | A | -1.0915 | |
| 67 | I | A | 0.0000 | |
| 68 | N | A | -2.2750 | |
| 69 | N | A | -2.2742 | |
| 70 | F | A | 0.0000 | |
| 71 | S | A | -1.8273 | |
| 72 | L | A | 0.0000 | |
| 73 | E | A | -2.6564 | |
| 74 | P | A | -1.7147 | |
| 75 | T | A | -0.5881 | |
| 76 | C | A | 0.0000 | |
| 77 | N | A | 0.1883 | |
| 78 | Y | A | 0.0000 | |
| 79 | R | A | -0.9284 | |
| 80 | L | A | 0.0000 | |
| 81 | S | A | -0.2496 | |
| 82 | Y | A | 0.0000 | |
| 83 | E | A | -1.3352 | |
| 84 | V | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | D | A | 0.0000 | |
| 87 | I | A | 0.0801 | |
| 88 | Y | A | 0.3886 | |
| 89 | D | A | -1.5788 | |
| 90 | N | A | -1.2983 | |
| 91 | H | A | -1.6964 | |
| 92 | L | A | -1.1364 | |
| 93 | Q | A | -1.2270 | |
| 94 | G | A | 0.0192 | |
| 95 | Y | A | 0.6050 | |
| 96 | I | A | 0.0000 | |
| 97 | E | A | -0.8219 | |
| 98 | F | A | 0.0000 | |
| 99 | L | A | 0.3933 | |
| 100 | V | A | 0.0000 | |
| 101 | G | A | -0.6384 | |
| 102 | G | A | -0.7795 | |
| 103 | G | A | -1.1591 | |
| 104 | G | A | -0.7693 | |
| 105 | S | A | -0.8096 | |
| 106 | G | A | -1.0681 | |
| 107 | G | A | -0.8265 | |
| 108 | G | A | -1.2457 | |
| 109 | G | A | -1.1966 | |
| 110 | S | A | -0.8903 | |
| 111 | A | A | -0.6157 | |
| 112 | N | A | -0.8875 | |
| 113 | L | A | 0.5583 | |
| 114 | N | A | -0.3375 | |
| 115 | G | A | -0.2131 | |
| 116 | T | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | M | A | 0.0000 | |
| 119 | Q | A | 0.0000 | |
| 120 | Y | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | E | A | 0.0000 | |
| 123 | W | A | 0.0000 | |
| 124 | Y | A | -0.6418 | |
| 125 | M | A | 0.0000 | |
| 126 | P | A | -1.4217 | |
| 127 | N | A | -2.3515 | |
| 128 | D | A | -2.6782 | |
| 129 | G | A | 0.0000 | |
| 130 | Q | A | -2.1727 | |
| 131 | H | A | 0.0000 | |
| 132 | W | A | 0.0000 | |
| 133 | K | A | -2.1390 | |
| 134 | R | A | -2.4232 | |
| 135 | L | A | 0.0000 | |
| 136 | Q | A | -1.6558 | |
| 137 | N | A | -2.0385 | |
| 138 | D | A | -1.3417 | |
| 139 | S | A | 0.0000 | |
| 140 | A | A | -0.8496 | |
| 141 | Y | A | 0.0435 | |
| 142 | L | A | 0.0000 | |
| 143 | A | A | -1.2461 | |
| 144 | E | A | -1.9106 | |
| 145 | H | A | -1.3331 | |
| 146 | G | A | 0.0000 | |
| 147 | I | A | 0.0000 | |
| 148 | T | A | -1.2193 | |
| 149 | A | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | W | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | A | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | K | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | S | A | -0.8898 | |
| 160 | Q | A | -1.6066 | |
| 161 | A | A | -0.8708 | |
| 162 | D | A | -0.5580 | |
| 163 | V | A | 0.0576 | |
| 164 | G | A | 0.0000 | |
| 165 | Y | A | 0.3428 | |
| 166 | G | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | Y | A | 0.0000 | |
| 169 | D | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | Y | A | 0.0000 | |
| 172 | D | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | E | A | -0.7864 | |
| 176 | F | A | -0.5355 | |
| 177 | H | A | -1.1201 | |
| 178 | Q | A | -1.1526 | |
| 179 | K | A | -1.1589 | |
| 180 | G | A | -1.1121 | |
| 181 | T | A | -0.9226 | |
| 182 | V | A | -0.1911 | |
| 183 | R | A | -1.1262 | |
| 184 | T | A | 0.0000 | |
| 185 | K | A | -1.4967 | |
| 186 | Y | A | 0.0000 | |
| 187 | G | A | 0.0000 | |
| 188 | T | A | -0.7584 | |
| 189 | K | A | -1.0901 | |
| 190 | G | A | -0.9733 | |
| 191 | E | A | -1.1351 | |
| 192 | L | A | 0.0000 | |
| 193 | Q | A | -1.0684 | |
| 194 | S | A | -0.9231 | |
| 195 | A | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | K | A | -0.8974 | |
| 198 | S | A | -1.1433 | |
| 199 | L | A | 0.0000 | |
| 200 | H | A | -1.6600 | |
| 201 | S | A | -1.3798 | |
| 202 | R | A | -2.4928 | |
| 203 | D | A | -2.8435 | |
| 204 | I | A | 0.0000 | |
| 205 | N | A | -1.4681 | |
| 206 | V | A | 0.0000 | |
| 207 | Y | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | D | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | N | A | 0.0000 | |
| 214 | H | A | 0.0000 | |
| 215 | K | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | G | A | -0.3806 | |
| 218 | A | A | 0.0000 | |
| 219 | D | A | -0.8407 | |
| 220 | A | A | -0.4699 | |
| 221 | T | A | -0.6759 | |
| 222 | E | A | -1.1304 | |
| 223 | D | A | -1.6405 | |
| 224 | V | A | 0.0000 | |
| 225 | T | A | -2.1823 | |
| 226 | A | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | E | A | -0.5964 | |
| 229 | V | A | 0.0000 | |
| 230 | D | A | -1.0350 | |
| 231 | P | A | -1.2954 | |
| 232 | A | A | -1.2380 | |
| 233 | D | A | -2.0062 | |
| 234 | R | A | 0.0000 | |
| 235 | N | A | -1.0675 | |
| 236 | R | A | -1.2612 | |
| 237 | V | A | 0.6488 | |
| 238 | I | A | 1.7923 | |
| 239 | S | A | 0.1561 | |
| 240 | G | A | -1.0369 | |
| 241 | E | A | -2.9686 | |
| 242 | H | A | -3.0084 | |
| 243 | R | A | -3.1663 | |
| 244 | I | A | 0.0000 | |
| 245 | K | A | -1.9370 | |
| 246 | A | A | 0.0000 | |
| 247 | W | A | -0.1889 | |
| 248 | T | A | 0.0000 | |
| 249 | H | A | -0.7592 | |
| 250 | F | A | 0.0000 | |
| 251 | H | A | -1.5780 | |
| 252 | F | A | 0.0000 | |
| 253 | P | A | -1.0299 | |
| 254 | G | A | -1.0372 | |
| 255 | R | A | 0.0000 | |
| 256 | G | A | -0.9148 | |
| 257 | S | A | -1.2921 | |
| 258 | T | A | -0.5141 | |
| 259 | Y | A | -0.2806 | |
| 260 | S | A | -1.3245 | |
| 261 | D | A | -2.3291 | |
| 262 | F | A | 0.0000 | |
| 263 | K | A | -2.4877 | |
| 264 | W | A | 0.0000 | |
| 265 | H | A | -0.4765 | |
| 266 | W | A | 0.0000 | |
| 267 | Y | A | 0.8077 | |
| 268 | H | A | 0.0000 | |
| 269 | F | A | 0.0000 | |
| 270 | D | A | -0.5682 | |
| 271 | G | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | D | A | -0.6131 | |
| 274 | W | A | -1.0952 | |
| 275 | D | A | 0.0000 | |
| 276 | E | A | -1.8033 | |
| 277 | S | A | -1.9550 | |
| 278 | R | A | -2.4858 | |
| 279 | K | A | -2.8109 | |
| 280 | L | A | -1.9471 | |
| 281 | N | A | -2.1880 | |
| 282 | R | A | -2.0963 | |
| 283 | I | A | 0.0000 | |
| 284 | Y | A | 0.0000 | |
| 285 | K | A | -0.6439 | |
| 286 | F | A | 0.0000 | |
| 287 | Q | A | -1.6364 | |
| 288 | G | A | -0.8002 | |
| 289 | K | A | -0.6264 | |
| 290 | A | A | -0.2208 | |
| 291 | W | A | 0.0613 | |
| 292 | D | A | -0.5002 | |
| 293 | W | A | 0.2205 | |
| 294 | E | A | -1.0806 | |
| 295 | V | A | 0.0000 | |
| 296 | S | A | 0.0000 | |
| 297 | N | A | -2.3406 | |
| 298 | E | A | -2.6593 | |
| 299 | N | A | -2.0809 | |
| 300 | G | A | -1.9521 | |
| 301 | N | A | 0.0000 | |
| 302 | Y | A | -0.5461 | |
| 303 | D | A | 0.0000 | |
| 304 | Y | A | 0.0000 | |
| 305 | L | A | 0.6698 | |
| 306 | M | A | 0.5482 | |
| 307 | Y | A | 0.4340 | |
| 308 | A | A | 0.0000 | |
| 309 | D | A | 0.0000 | |
| 310 | I | A | 0.0000 | |
| 311 | D | A | -1.0415 | |
| 312 | Y | A | 0.0000 | |
| 313 | D | A | -2.3828 | |
| 314 | H | A | -1.6608 | |
| 315 | P | A | -1.6568 | |
| 316 | D | A | -2.1988 | |
| 317 | V | A | 0.0000 | |
| 318 | A | A | -1.5298 | |
| 319 | A | A | -1.3816 | |
| 320 | E | A | 0.0000 | |
| 321 | I | A | 0.0000 | |
| 322 | K | A | -1.7013 | |
| 323 | R | A | -2.0351 | |
| 324 | W | A | 0.0000 | |
| 325 | G | A | 0.0000 | |
| 326 | T | A | -1.7236 | |
| 327 | W | A | -1.1285 | |
| 328 | Y | A | 0.0000 | |
| 329 | A | A | 0.0000 | |
| 330 | N | A | -1.8123 | |
| 331 | E | A | -1.6774 | |
| 332 | L | A | 0.0000 | |
| 333 | Q | A | -1.4193 | |
| 334 | L | A | 0.0000 | |
| 335 | D | A | -0.9934 | |
| 336 | G | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | R | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | D | A | -0.1777 | |
| 341 | A | A | 0.0000 | |
| 342 | V | A | 0.0000 | |
| 343 | K | A | -0.7233 | |
| 344 | H | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | K | A | -1.0409 | |
| 347 | F | A | 0.0000 | |
| 348 | S | A | -1.1570 | |
| 349 | F | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | R | A | -1.3100 | |
| 352 | D | A | -1.7304 | |
| 353 | W | A | 0.0000 | |
| 354 | V | A | 0.0000 | |
| 355 | N | A | -1.9227 | |
| 356 | H | A | -2.3711 | |
| 357 | V | A | 0.0000 | |
| 358 | R | A | -3.0009 | |
| 359 | E | A | -3.5849 | |
| 360 | K | A | -3.3786 | |
| 361 | T | A | -2.4904 | |
| 362 | G | A | -2.5815 | |
| 363 | K | A | -2.7894 | |
| 364 | E | A | -2.6938 | |
| 365 | M | A | 0.0000 | |
| 366 | F | A | -0.0941 | |
| 367 | T | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | E | A | 0.0000 | |
| 371 | Y | A | 0.0000 | |
| 372 | W | A | 0.0000 | |
| 373 | Q | A | -1.4782 | |
| 374 | N | A | -2.2148 | |
| 375 | D | A | -2.5433 | |
| 376 | L | A | -1.8301 | |
| 377 | G | A | -1.3679 | |
| 378 | A | A | -1.7967 | |
| 379 | L | A | 0.0000 | |
| 380 | E | A | -1.8274 | |
| 381 | N | A | -1.8785 | |
| 382 | Y | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | N | A | -1.9307 | |
| 385 | K | A | -1.7676 | |
| 386 | T | A | 0.0000 | |
| 387 | N | A | -0.7002 | |
| 388 | F | A | 1.0616 | |
| 389 | H | A | 0.0000 | |
| 390 | S | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | D | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | P | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | H | A | 0.0000 | |
| 398 | Y | A | -0.2362 | |
| 399 | Q | A | -0.9443 | |
| 400 | F | A | 0.0000 | |
| 401 | H | A | -0.6920 | |
| 402 | A | A | -0.7759 | |
| 403 | A | A | 0.0000 | |
| 404 | S | A | 0.0000 | |
| 405 | T | A | -1.0023 | |
| 406 | Q | A | -1.6891 | |
| 407 | G | A | -1.2037 | |
| 408 | G | A | -1.4035 | |
| 409 | G | A | -1.5230 | |
| 410 | Y | A | 0.0000 | |
| 411 | D | A | -2.8035 | |
| 412 | M | A | 0.0000 | |
| 413 | R | A | -3.2892 | |
| 414 | K | A | -3.2769 | |
| 415 | L | A | 0.0000 | |
| 416 | L | A | -1.4432 | |
| 417 | N | A | -2.3164 | |
| 418 | S | A | -1.8044 | |
| 419 | T | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | V | A | 0.0000 | |
| 422 | S | A | -1.2191 | |
| 423 | K | A | -1.9595 | |
| 424 | H | A | -0.8141 | |
| 425 | P | A | -0.2959 | |
| 426 | L | A | 0.8536 | |
| 427 | K | A | 0.3878 | |
| 428 | A | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | T | A | 0.0000 | |
| 431 | F | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | D | A | 0.0000 | |
| 434 | N | A | 0.0000 | |
| 435 | H | A | 0.0000 | |
| 436 | D | A | 0.0000 | |
| 437 | T | A | 0.0000 | |
| 438 | Q | A | 0.0000 | |
| 439 | P | A | 0.0000 | |
| 440 | G | A | -1.6853 | |
| 441 | Q | A | -0.6777 | |
| 442 | S | A | -0.4082 | |
| 443 | L | A | -0.0533 | |
| 444 | E | A | -0.9048 | |
| 445 | S | A | 0.0000 | |
| 446 | T | A | -0.7405 | |
| 447 | V | A | 0.0000 | |
| 448 | Q | A | -0.8818 | |
| 449 | T | A | -0.3251 | |
| 450 | W | A | 0.0148 | |
| 451 | F | A | 0.0000 | |
| 452 | K | A | 0.0000 | |
| 453 | P | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | A | A | 0.0000 | |
| 456 | Y | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | F | A | 0.0000 | |
| 459 | I | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | T | A | 0.0000 | |
| 462 | R | A | 0.0000 | |
| 463 | E | A | -1.7512 | |
| 464 | S | A | -0.9100 | |
| 465 | G | A | -0.0991 | |
| 466 | Y | A | 0.2021 | |
| 467 | P | A | 0.0000 | |
| 468 | Q | A | 0.0000 | |
| 469 | V | A | 0.0000 | |
| 470 | F | A | 0.0000 | |
| 471 | Y | A | 0.0000 | |
| 472 | G | A | 0.0000 | |
| 473 | D | A | 0.0000 | |
| 474 | M | A | 0.0000 | |
| 475 | Y | A | -0.2628 | |
| 476 | G | A | -0.7983 | |
| 477 | T | A | -1.7875 | |
| 478 | K | A | -2.8846 | |
| 479 | G | A | 0.0000 | |
| 480 | D | A | -3.1752 | |
| 481 | S | A | -3.0525 | |
| 482 | Q | A | -3.3168 | |
| 483 | R | A | -3.8677 | |
| 484 | E | A | -4.0096 | |
| 485 | I | A | 0.0000 | |
| 486 | P | A | -1.1247 | |
| 487 | A | A | -0.7432 | |
| 488 | L | A | 0.0000 | |
| 489 | K | A | -1.9431 | |
| 490 | H | A | -2.1886 | |
| 491 | K | A | -2.1782 | |
| 492 | I | A | 0.0000 | |
| 493 | E | A | -2.3213 | |
| 494 | P | A | -1.4556 | |
| 495 | I | A | 0.0000 | |
| 496 | L | A | 0.0000 | |
| 497 | K | A | -1.7597 | |
| 498 | A | A | 0.0000 | |
| 499 | R | A | 0.0000 | |
| 500 | K | A | -1.1711 | |
| 501 | Q | A | -0.9264 | |
| 502 | Y | A | 0.0000 | |
| 503 | A | A | 0.0000 | |
| 504 | Y | A | 0.0000 | |
| 505 | G | A | -0.9950 | |
| 506 | A | A | -0.7490 | |
| 507 | Q | A | -1.1758 | |
| 508 | H | A | -1.0179 | |
| 509 | D | A | -1.6413 | |
| 510 | Y | A | -1.4606 | |
| 511 | F | A | -2.1619 | |
| 512 | D | A | -2.8772 | |
| 513 | H | A | -2.5654 | |
| 514 | H | A | -2.9410 | |
| 515 | D | A | -2.2097 | |
| 516 | I | A | -1.3509 | |
| 517 | V | A | 0.0000 | |
| 518 | G | A | 0.0000 | |
| 519 | W | A | 0.0000 | |
| 520 | T | A | 0.0000 | |
| 521 | R | A | 0.0000 | |
| 522 | E | A | -1.1050 | |
| 523 | G | A | -1.1411 | |
| 524 | D | A | -1.5353 | |
| 525 | S | A | -0.8780 | |
| 526 | S | A | -0.8229 | |
| 527 | V | A | -0.3614 | |
| 528 | A | A | -0.7172 | |
| 529 | N | A | -1.3884 | |
| 530 | S | A | 0.0000 | |
| 531 | G | A | 0.0000 | |
| 532 | L | A | 0.0000 | |
| 533 | A | A | 0.0000 | |
| 534 | A | A | 0.0000 | |
| 535 | L | A | 0.0000 | |
| 536 | I | A | 0.0000 | |
| 537 | T | A | 0.0000 | |
| 538 | D | A | 0.0000 | |
| 539 | G | A | -1.0820 | |
| 540 | P | A | -0.8147 | |
| 541 | G | A | -0.9507 | |
| 542 | G | A | -0.6797 | |
| 543 | A | A | -1.1686 | |
| 544 | K | A | -1.7767 | |
| 545 | R | A | -2.2022 | |
| 546 | M | A | 0.0000 | |
| 547 | Y | A | -1.0536 | |
| 548 | V | A | 0.0000 | |
| 549 | G | A | 0.0000 | |
| 550 | R | A | -3.1242 | |
| 551 | Q | A | -2.6942 | |
| 552 | N | A | 0.0000 | |
| 553 | A | A | -1.8529 | |
| 554 | G | A | -1.3626 | |
| 555 | E | A | -1.0735 | |
| 556 | T | A | -0.4204 | |
| 557 | W | A | 0.0000 | |
| 558 | H | A | -1.2098 | |
| 559 | D | A | -1.3510 | |
| 560 | I | A | -0.6780 | |
| 561 | T | A | -1.0687 | |
| 562 | G | A | -1.3988 | |
| 563 | N | A | -1.6674 | |
| 564 | R | A | -1.7979 | |
| 565 | S | A | -1.4693 | |
| 566 | E | A | -1.4783 | |
| 567 | P | A | -1.0552 | |
| 568 | V | A | 0.0000 | |
| 569 | V | A | 0.8181 | |
| 570 | I | A | 0.0000 | |
| 571 | N | A | -1.4159 | |
| 572 | S | A | -1.8638 | |
| 573 | E | A | -2.7633 | |
| 574 | G | A | 0.0000 | |
| 575 | W | A | -1.1174 | |
| 576 | G | A | 0.0000 | |
| 577 | E | A | -2.2413 | |
| 578 | F | A | 0.0000 | |
| 579 | H | A | -1.5669 | |
| 580 | V | A | 0.0000 | |
| 581 | N | A | -1.2752 | |
| 582 | G | A | -0.9838 | |
| 583 | G | A | -0.6287 | |
| 584 | S | A | -0.6107 | |
| 585 | V | A | 0.0000 | |
| 586 | S | A | 0.0000 | |
| 587 | I | A | 0.0000 | |
| 588 | Y | A | 0.0000 | |
| 589 | V | A | 0.0000 | |
| 590 | Q | A | -1.3580 | |
| 591 | R | A | -2.3320 |
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 | -0.6846 | 3.3313 | View | CSV | PDB |
| 4.5 | -0.741 | 3.3047 | View | CSV | PDB |
| 5.0 | -0.8084 | 3.2752 | View | CSV | PDB |
| 5.5 | -0.8737 | 3.2468 | View | CSV | PDB |
| 6.0 | -0.9255 | 3.2236 | View | CSV | PDB |
| 6.5 | -0.959 | 3.2101 | View | CSV | PDB |
| 7.0 | -0.9774 | 3.2067 | View | CSV | PDB |
| 7.5 | -0.9872 | 3.2099 | View | CSV | PDB |
| 8.0 | -0.9916 | 3.2172 | View | CSV | PDB |
| 8.5 | -0.9898 | 3.2291 | View | CSV | PDB |
| 9.0 | -0.9794 | 3.2485 | 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