| Chain sequence(s) |
A: MLKFQCGQKTLRPRFKIIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRCAQPSRTIQTICLPSMYNDPQFGTSCEITGFGKENSTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKEENGLALSYQVICRDEKTQMIYQQHQSWLRPVLRSNRVEYCWCNSGRAQCHSVSEGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVRSCGGGGSEVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSSGGGSGPRPGGGSRGD
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8718f58e4c9406d/tmp/folded.pdb (00:08:37)
[INFO] Main: Simulation completed successfully. (00:12:18)
|
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 | 0.9706 | |
| 2 | L | A | -0.0769 | |
| 3 | K | A | -1.3425 | |
| 4 | F | A | -1.1185 | |
| 5 | Q | A | -1.3867 | |
| 6 | C | A | -0.8091 | |
| 7 | G | A | 0.0000 | |
| 8 | Q | A | -2.0721 | |
| 9 | K | A | -1.5195 | |
| 10 | T | A | -0.9373 | |
| 11 | L | A | -0.7680 | |
| 12 | R | A | -1.8971 | |
| 13 | P | A | -1.4130 | |
| 14 | R | A | -1.6263 | |
| 15 | F | A | 0.3598 | |
| 16 | K | A | 0.3883 | |
| 17 | I | A | 2.4020 | |
| 18 | I | A | 2.0466 | |
| 19 | G | A | 0.4368 | |
| 20 | G | A | 0.3426 | |
| 21 | E | A | 1.1848 | |
| 22 | F | A | 1.4173 | |
| 23 | T | A | 0.0000 | |
| 24 | T | A | -0.0071 | |
| 25 | I | A | 0.0000 | |
| 26 | E | A | -0.7410 | |
| 27 | N | A | -0.8244 | |
| 28 | Q | A | 0.0000 | |
| 29 | P | A | 0.0000 | |
| 30 | W | A | 0.0000 | |
| 31 | F | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | A | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | R | A | -0.5841 | |
| 37 | R | A | -1.6198 | |
| 38 | H | A | -2.0341 | |
| 39 | R | A | -2.6096 | |
| 40 | G | A | -1.8261 | |
| 41 | G | A | -1.5054 | |
| 42 | S | A | -1.0338 | |
| 43 | V | A | -0.4628 | |
| 44 | T | A | -0.1768 | |
| 45 | Y | A | 0.0000 | |
| 46 | V | A | 0.1762 | |
| 47 | C | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | S | A | -0.2529 | |
| 54 | P | A | -0.5342 | |
| 55 | C | A | -0.7062 | |
| 56 | W | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | S | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | T | A | 0.0000 | |
| 62 | H | A | 0.0369 | |
| 63 | C | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | I | A | 0.6101 | |
| 66 | D | A | -0.9103 | |
| 67 | Y | A | -0.3411 | |
| 68 | P | A | -0.7460 | |
| 69 | K | A | -2.1072 | |
| 70 | K | A | -2.8061 | |
| 71 | E | A | -3.0143 | |
| 72 | D | A | 0.0000 | |
| 73 | Y | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | R | A | 0.0000 | |
| 80 | S | A | -1.2548 | |
| 81 | R | A | -2.5101 | |
| 82 | L | A | 0.0000 | |
| 83 | N | A | -2.2543 | |
| 84 | S | A | -2.0981 | |
| 85 | N | A | -2.1792 | |
| 86 | T | A | -1.7658 | |
| 87 | Q | A | -1.8515 | |
| 88 | G | A | -1.5676 | |
| 89 | E | A | -1.3215 | |
| 90 | M | A | -0.9418 | |
| 91 | K | A | -1.4378 | |
| 92 | F | A | 0.0000 | |
| 93 | E | A | -2.1044 | |
| 94 | V | A | 0.0000 | |
| 95 | E | A | -2.5562 | |
| 96 | N | A | -2.1657 | |
| 97 | L | A | -1.1597 | |
| 98 | I | A | -0.2057 | |
| 99 | L | A | -0.0941 | |
| 100 | H | A | -1.1606 | |
| 101 | K | A | -2.3583 | |
| 102 | D | A | -2.4204 | |
| 103 | Y | A | -1.1382 | |
| 104 | S | A | -1.3220 | |
| 105 | A | A | -0.9468 | |
| 106 | D | A | -1.9410 | |
| 107 | T | A | -0.8917 | |
| 108 | L | A | -0.5312 | |
| 109 | A | A | 0.0000 | |
| 110 | H | A | -0.7635 | |
| 111 | H | A | -1.0502 | |
| 112 | N | A | 0.0000 | |
| 113 | D | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | L | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | K | A | -1.3975 | |
| 119 | I | A | 0.0000 | |
| 120 | R | A | -2.6885 | |
| 121 | S | A | -2.8247 | |
| 122 | K | A | -3.3212 | |
| 123 | E | A | -3.3565 | |
| 124 | G | A | -2.7886 | |
| 125 | R | A | -3.0618 | |
| 126 | C | A | -1.7082 | |
| 127 | A | A | 0.0000 | |
| 128 | Q | A | -1.4441 | |
| 129 | P | A | -1.1440 | |
| 130 | S | A | -1.2930 | |
| 131 | R | A | -1.9772 | |
| 132 | T | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | Q | A | 0.0000 | |
| 135 | T | A | 0.0000 | |
| 136 | I | A | 0.0000 | |
| 137 | C | A | 0.0000 | |
| 138 | L | A | 0.3721 | |
| 139 | P | A | 0.0000 | |
| 140 | S | A | -0.0599 | |
| 141 | M | A | 0.2757 | |
| 142 | Y | A | 0.5188 | |
| 143 | N | A | -0.4874 | |
| 144 | D | A | -0.5542 | |
| 145 | P | A | 0.0000 | |
| 146 | Q | A | -0.8095 | |
| 147 | F | A | 0.4644 | |
| 148 | G | A | -0.1777 | |
| 149 | T | A | -0.3650 | |
| 150 | S | A | -0.1802 | |
| 151 | C | A | 0.0000 | |
| 152 | E | A | 0.2153 | |
| 153 | I | A | 0.0000 | |
| 154 | T | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | G | A | -1.1638 | |
| 158 | K | A | -1.2736 | |
| 159 | E | A | -2.5142 | |
| 160 | N | A | -2.2578 | |
| 161 | S | A | -1.5748 | |
| 162 | T | A | -0.7158 | |
| 163 | D | A | -0.3736 | |
| 164 | Y | A | 1.4881 | |
| 165 | L | A | 1.5266 | |
| 166 | Y | A | -0.0103 | |
| 167 | P | A | -1.0551 | |
| 168 | E | A | -2.3805 | |
| 169 | Q | A | -1.4672 | |
| 170 | L | A | 0.0000 | |
| 171 | K | A | -0.3055 | |
| 172 | M | A | 0.0000 | |
| 173 | T | A | 0.6853 | |
| 174 | V | A | 0.8309 | |
| 175 | V | A | 0.0000 | |
| 176 | K | A | -0.5040 | |
| 177 | L | A | 0.0000 | |
| 178 | I | A | -0.5331 | |
| 179 | S | A | -1.1828 | |
| 180 | H | A | -1.8714 | |
| 181 | R | A | -3.1514 | |
| 182 | E | A | -3.0823 | |
| 183 | C | A | 0.0000 | |
| 184 | Q | A | -2.6045 | |
| 185 | Q | A | -2.3907 | |
| 186 | P | A | -1.4939 | |
| 187 | H | A | -1.6589 | |
| 188 | Y | A | -1.6822 | |
| 189 | Y | A | 0.0000 | |
| 190 | G | A | -1.6104 | |
| 191 | S | A | -0.9366 | |
| 192 | E | A | -1.3402 | |
| 193 | V | A | 0.0000 | |
| 194 | T | A | -0.8497 | |
| 195 | T | A | -0.7081 | |
| 196 | K | A | -0.6728 | |
| 197 | M | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | C | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | D | A | -1.1575 | |
| 203 | P | A | -1.3657 | |
| 204 | Q | A | -2.0654 | |
| 205 | W | A | -1.6709 | |
| 206 | K | A | -1.7482 | |
| 207 | T | A | -0.6976 | |
| 208 | D | A | -0.6449 | |
| 209 | S | A | -0.8196 | |
| 210 | C | A | 0.0000 | |
| 211 | Q | A | -1.6347 | |
| 212 | G | A | 0.0000 | |
| 213 | D | A | 0.0000 | |
| 214 | S | A | -0.2701 | |
| 215 | G | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | P | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | C | A | 0.0000 | |
| 221 | S | A | -0.9841 | |
| 222 | L | A | -1.3279 | |
| 223 | Q | A | -1.8223 | |
| 224 | G | A | -1.8283 | |
| 225 | R | A | -2.2651 | |
| 226 | M | A | -1.1216 | |
| 227 | T | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | S | A | 0.0000 | |
| 234 | W | A | 0.0000 | |
| 235 | G | A | -0.6837 | |
| 236 | R | A | -1.1451 | |
| 237 | G | A | -1.0758 | |
| 238 | C | A | -1.2356 | |
| 239 | A | A | -1.1795 | |
| 240 | L | A | -0.2979 | |
| 241 | K | A | -1.8947 | |
| 242 | D | A | -1.3928 | |
| 243 | K | A | -1.0635 | |
| 244 | P | A | 0.0000 | |
| 245 | G | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | Y | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | R | A | -0.4458 | |
| 250 | V | A | 0.0000 | |
| 251 | S | A | 0.0000 | |
| 252 | H | A | -0.4702 | |
| 253 | F | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | P | A | -0.8754 | |
| 256 | W | A | -0.7408 | |
| 257 | I | A | 0.0000 | |
| 258 | R | A | -2.8615 | |
| 259 | S | A | -1.9560 | |
| 260 | H | A | -1.7978 | |
| 261 | T | A | -2.4709 | |
| 262 | K | A | -3.9973 | |
| 263 | E | A | -4.1366 | |
| 264 | E | A | -3.7641 | |
| 265 | N | A | -2.6908 | |
| 266 | G | A | -0.9189 | |
| 267 | L | A | 0.9565 | |
| 268 | A | A | 1.3505 | |
| 269 | L | A | 1.9788 | |
| 270 | S | A | 1.1989 | |
| 271 | Y | A | 1.3888 | |
| 272 | Q | A | 0.0501 | |
| 273 | V | A | -0.1590 | |
| 274 | I | A | -0.6303 | |
| 275 | C | A | 0.0000 | |
| 276 | R | A | -2.5857 | |
| 277 | D | A | 0.0000 | |
| 278 | E | A | -3.0234 | |
| 279 | K | A | -2.3087 | |
| 280 | T | A | -1.4740 | |
| 281 | Q | A | -1.8857 | |
| 282 | M | A | -0.1549 | |
| 283 | I | A | -0.1526 | |
| 284 | Y | A | -0.6105 | |
| 285 | Q | A | -1.0828 | |
| 286 | Q | A | -1.5120 | |
| 287 | H | A | -1.6238 | |
| 288 | Q | A | -1.3829 | |
| 289 | S | A | -0.7268 | |
| 290 | W | A | 0.0000 | |
| 291 | L | A | 0.3642 | |
| 292 | R | A | 0.0000 | |
| 293 | P | A | -0.6929 | |
| 294 | V | A | -0.4099 | |
| 295 | L | A | 0.1980 | |
| 296 | R | A | -1.5778 | |
| 297 | S | A | -1.5880 | |
| 298 | N | A | -2.5576 | |
| 299 | R | A | -2.8756 | |
| 300 | V | A | -1.2283 | |
| 301 | E | A | -0.6213 | |
| 302 | Y | A | -0.1013 | |
| 303 | C | A | 0.0000 | |
| 304 | W | A | -0.9285 | |
| 305 | C | A | 0.0000 | |
| 306 | N | A | -1.6396 | |
| 307 | S | A | -1.2606 | |
| 308 | G | A | -1.6960 | |
| 309 | R | A | -2.4593 | |
| 310 | A | A | -1.9962 | |
| 311 | Q | A | -1.2326 | |
| 312 | C | A | -0.4258 | |
| 313 | H | A | -0.4124 | |
| 314 | S | A | -0.8816 | |
| 315 | V | A | -1.0804 | |
| 316 | S | A | -2.0865 | |
| 317 | E | A | -3.1269 | |
| 318 | G | A | -2.3043 | |
| 319 | N | A | -2.5283 | |
| 320 | S | A | -2.2307 | |
| 321 | D | A | -2.8863 | |
| 322 | C | A | -1.9065 | |
| 323 | Y | A | 0.0000 | |
| 324 | F | A | 0.0182 | |
| 325 | G | A | -0.7033 | |
| 326 | N | A | -0.9057 | |
| 327 | G | A | 0.0000 | |
| 328 | S | A | -0.7318 | |
| 329 | A | A | 0.0000 | |
| 330 | Y | A | 0.0000 | |
| 331 | R | A | -1.1460 | |
| 332 | G | A | 0.0000 | |
| 333 | T | A | -0.8036 | |
| 334 | H | A | -1.1026 | |
| 335 | S | A | -0.1051 | |
| 336 | L | A | -0.4139 | |
| 337 | T | A | 0.0000 | |
| 338 | E | A | -2.6261 | |
| 339 | S | A | -1.5323 | |
| 340 | G | A | -1.2891 | |
| 341 | A | A | -0.6005 | |
| 342 | S | A | -0.3333 | |
| 343 | C | A | 0.0000 | |
| 344 | L | A | 0.3434 | |
| 345 | P | A | -0.8174 | |
| 346 | W | A | 0.0000 | |
| 347 | N | A | -1.4381 | |
| 348 | S | A | 0.0229 | |
| 349 | M | A | 1.6104 | |
| 350 | I | A | 1.4991 | |
| 351 | L | A | 0.0000 | |
| 352 | I | A | 1.9823 | |
| 353 | G | A | 0.6211 | |
| 354 | K | A | 0.3589 | |
| 355 | V | A | 1.2438 | |
| 356 | Y | A | 0.3414 | |
| 357 | T | A | 0.0000 | |
| 358 | A | A | -1.3489 | |
| 359 | Q | A | -1.3461 | |
| 360 | N | A | -0.8707 | |
| 361 | P | A | -0.8563 | |
| 362 | S | A | -0.7414 | |
| 363 | A | A | 0.0000 | |
| 364 | Q | A | -1.3499 | |
| 365 | A | A | -0.4306 | |
| 366 | L | A | -0.3901 | |
| 367 | G | A | -0.5954 | |
| 368 | L | A | 0.0000 | |
| 369 | G | A | -1.7309 | |
| 370 | K | A | -2.2442 | |
| 371 | H | A | -1.3203 | |
| 372 | N | A | -0.7381 | |
| 373 | Y | A | -0.1085 | |
| 374 | C | A | 0.0000 | |
| 375 | R | A | 0.0000 | |
| 376 | N | A | 0.0000 | |
| 377 | P | A | -0.6207 | |
| 378 | D | A | -1.5450 | |
| 379 | G | A | -1.5537 | |
| 380 | D | A | -1.3523 | |
| 381 | A | A | -1.0295 | |
| 382 | K | A | -1.1931 | |
| 383 | P | A | 0.0000 | |
| 384 | W | A | 0.0000 | |
| 385 | C | A | 0.0000 | |
| 386 | H | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | L | A | -1.0303 | |
| 389 | K | A | -2.3159 | |
| 390 | N | A | -2.9989 | |
| 391 | R | A | -3.3811 | |
| 392 | R | A | -3.0083 | |
| 393 | L | A | -0.8770 | |
| 394 | T | A | -0.5119 | |
| 395 | W | A | 0.3162 | |
| 396 | E | A | -0.6354 | |
| 397 | Y | A | -0.8362 | |
| 398 | C | A | 0.0000 | |
| 399 | D | A | -3.1026 | |
| 400 | V | A | 0.0000 | |
| 401 | R | A | -2.7896 | |
| 402 | S | A | -1.6336 | |
| 403 | C | A | -0.7618 | |
| 404 | G | A | -1.3825 | |
| 405 | G | A | -1.5554 | |
| 406 | G | A | -1.3714 | |
| 407 | G | A | -1.8299 | |
| 408 | S | A | -2.2515 | |
| 409 | E | A | -2.9488 | |
| 410 | V | A | -1.8279 | |
| 411 | Q | A | -1.4723 | |
| 412 | L | A | 0.0000 | |
| 413 | V | A | 1.2258 | |
| 414 | E | A | 0.0000 | |
| 415 | S | A | -0.4276 | |
| 416 | G | A | -0.9398 | |
| 417 | G | A | -0.8066 | |
| 418 | G | A | -0.0868 | |
| 419 | L | A | 0.9076 | |
| 420 | V | A | 0.0000 | |
| 421 | Q | A | -1.5929 | |
| 422 | P | A | -1.7867 | |
| 423 | G | A | -1.5647 | |
| 424 | G | A | -1.0861 | |
| 425 | S | A | -1.4190 | |
| 426 | L | A | -1.0776 | |
| 427 | R | A | -2.1163 | |
| 428 | L | A | 0.0000 | |
| 429 | S | A | -0.2673 | |
| 430 | C | A | 0.0000 | |
| 431 | A | A | -0.1849 | |
| 432 | A | A | 0.0000 | |
| 433 | S | A | -1.3385 | |
| 434 | G | A | -2.4303 | |
| 435 | R | A | -2.3823 | |
| 436 | T | A | -1.1758 | |
| 437 | F | A | 0.0000 | |
| 438 | S | A | -0.6165 | |
| 439 | Y | A | 0.3700 | |
| 440 | N | A | 0.0000 | |
| 441 | P | A | 0.0000 | |
| 442 | M | A | 0.0000 | |
| 443 | G | A | 0.0000 | |
| 444 | W | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | R | A | -1.1954 | |
| 447 | Q | A | -1.8068 | |
| 448 | A | A | -1.7015 | |
| 449 | P | A | -1.1853 | |
| 450 | G | A | -1.7058 | |
| 451 | K | A | -2.4609 | |
| 452 | G | A | -2.0112 | |
| 453 | R | A | -2.2938 | |
| 454 | E | A | -1.3570 | |
| 455 | L | A | 0.0000 | |
| 456 | V | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | A | A | 0.0000 | |
| 459 | I | A | 0.0000 | |
| 460 | S | A | 0.0000 | |
| 461 | R | A | -1.1362 | |
| 462 | T | A | -0.7782 | |
| 463 | G | A | -1.0017 | |
| 464 | G | A | -1.0175 | |
| 465 | S | A | -0.7787 | |
| 466 | T | A | -0.1820 | |
| 467 | Y | A | -0.0292 | |
| 468 | Y | A | -0.6835 | |
| 469 | P | A | -1.3292 | |
| 470 | D | A | -2.5411 | |
| 471 | S | A | -1.6526 | |
| 472 | V | A | 0.0000 | |
| 473 | E | A | -2.7135 | |
| 474 | G | A | -1.8690 | |
| 475 | R | A | -1.6509 | |
| 476 | F | A | 0.0000 | |
| 477 | T | A | -0.8138 | |
| 478 | I | A | 0.0000 | |
| 479 | S | A | -0.5144 | |
| 480 | R | A | -1.3620 | |
| 481 | D | A | -1.9775 | |
| 482 | N | A | -2.4875 | |
| 483 | A | A | -1.9099 | |
| 484 | K | A | -2.7876 | |
| 485 | R | A | -2.7091 | |
| 486 | M | A | -1.3265 | |
| 487 | V | A | 0.0000 | |
| 488 | Y | A | -0.4966 | |
| 489 | L | A | 0.0000 | |
| 490 | Q | A | -1.2560 | |
| 491 | M | A | 0.0000 | |
| 492 | N | A | -1.6241 | |
| 493 | S | A | -1.4794 | |
| 494 | L | A | 0.0000 | |
| 495 | R | A | -2.8516 | |
| 496 | A | A | -1.9745 | |
| 497 | E | A | -2.3970 | |
| 498 | D | A | 0.0000 | |
| 499 | T | A | -1.0461 | |
| 500 | A | A | 0.0000 | |
| 501 | V | A | -0.7195 | |
| 502 | Y | A | 0.0000 | |
| 503 | Y | A | -0.2633 | |
| 504 | C | A | 0.0000 | |
| 505 | A | A | 0.0000 | |
| 506 | A | A | 0.0000 | |
| 507 | A | A | 0.0000 | |
| 508 | G | A | 0.1966 | |
| 509 | V | A | 0.2907 | |
| 510 | R | A | -2.0011 | |
| 511 | A | A | 0.0000 | |
| 512 | E | A | -3.3868 | |
| 513 | D | A | -3.5903 | |
| 514 | G | A | -2.8175 | |
| 515 | R | A | -3.0942 | |
| 516 | V | A | -1.0076 | |
| 517 | R | A | -0.1452 | |
| 518 | T | A | 0.3964 | |
| 519 | L | A | 1.1910 | |
| 520 | P | A | 0.0725 | |
| 521 | S | A | -0.0334 | |
| 522 | E | A | -0.0352 | |
| 523 | Y | A | 0.0000 | |
| 524 | T | A | 0.2267 | |
| 525 | F | A | 0.0118 | |
| 526 | W | A | 0.2427 | |
| 527 | G | A | -0.0432 | |
| 528 | Q | A | -0.8177 | |
| 529 | G | A | 0.0000 | |
| 530 | T | A | -0.6726 | |
| 531 | Q | A | -1.0627 | |
| 532 | V | A | 0.0000 | |
| 533 | T | A | -0.4207 | |
| 534 | V | A | 0.0000 | |
| 535 | S | A | -0.7521 | |
| 536 | S | A | -0.8771 | |
| 537 | G | A | -1.2037 | |
| 538 | G | A | -1.2599 | |
| 539 | G | A | -1.0752 | |
| 540 | S | A | -1.1054 | |
| 541 | G | A | -1.3460 | |
| 542 | P | A | -1.5508 | |
| 543 | R | A | -2.3828 | |
| 544 | P | A | -1.6427 | |
| 545 | G | A | -1.3437 | |
| 546 | G | A | -1.2428 | |
| 547 | G | A | -1.3920 | |
| 548 | S | A | -1.7356 | |
| 549 | R | A | -2.6552 | |
| 550 | G | A | -2.3972 | |
| 551 | D | A | -2.3926 |
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 | -0.8131 | 3.8201 | View | CSV | PDB |
| 4.5 | -0.8556 | 3.7776 | View | CSV | PDB |
| 5.0 | -0.9061 | 3.723 | View | CSV | PDB |
| 5.5 | -0.9547 | 3.6664 | View | CSV | PDB |
| 6.0 | -0.9913 | 3.619 | View | CSV | PDB |
| 6.5 | -1.0086 | 3.6317 | View | CSV | PDB |
| 7.0 | -1.0072 | 3.8276 | View | CSV | PDB |
| 7.5 | -0.9933 | 4.0513 | View | CSV | PDB |
| 8.0 | -0.9722 | 4.2853 | View | CSV | PDB |
| 8.5 | -0.9457 | 4.5221 | View | CSV | PDB |
| 9.0 | -0.9141 | 4.7577 | 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