| Chain sequence(s) |
A: MYERIRLRVTHQTTGEEYFRFITLLRDYVSSGSFSNEIPLLRQSTIPVSDAQRFVLVELTNQGGDSITAAIDVTNLYVVAYQAGDQSYFLRDAPRGAETHLFTGTTRSSLPFNGSYPDLERYAGHRDQIPLGIDQLIQSVTALRFPGGSTRTQARSILILIQMISEAARFNPILWRARQYINSGASFLPDVYMLELETSWGQQSTQVQHSTDGVFNNPIRLAIPPGNFVTLTNVRDVIASLAIMLFVCGERPSAAAGGGGSGGGGSGGGGSMAQVQLVESGGGVVQPGRSLRLSCSSSGFIFSDNYMYWVRQAPGKGLEWVATISDGGSYTYYPDSVKGRFTISRDNSKNTLFLQMDSLRPEDTGVYFCARGYYRYEGAMDYWGQGTPVTVSSGGGGSGGGGSGGGGSDIQLTQSPSSLSASVGDRVTITCKSSQSVLYSSNQKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCHQYLSSWTFGQGTKLEIK
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 (00:04:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a62c434b4abfd7b/tmp/folded.pdb (00:04:10)
[INFO] Main: Simulation completed successfully. (00:06:10)
|
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 | 0.5096 | |
| 2 | Y | A | -0.5102 | |
| 3 | E | A | -1.7038 | |
| 4 | R | A | -2.0160 | |
| 5 | I | A | 0.0000 | |
| 6 | R | A | -2.6258 | |
| 7 | L | A | 0.0000 | |
| 8 | R | A | -2.9674 | |
| 9 | V | A | 0.0000 | |
| 10 | T | A | 0.0000 | |
| 11 | H | A | -2.4375 | |
| 12 | Q | A | -2.3784 | |
| 13 | T | A | 0.0000 | |
| 14 | T | A | -1.7835 | |
| 15 | G | A | 0.0000 | |
| 16 | E | A | -2.4946 | |
| 17 | E | A | -2.6278 | |
| 18 | Y | A | 0.0000 | |
| 19 | F | A | -1.2890 | |
| 20 | R | A | -2.1321 | |
| 21 | F | A | 0.0000 | |
| 22 | I | A | 0.0000 | |
| 23 | T | A | -0.7205 | |
| 24 | L | A | -0.2334 | |
| 25 | L | A | 0.0000 | |
| 26 | R | A | -0.9087 | |
| 27 | D | A | -1.5293 | |
| 28 | Y | A | -0.7423 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.6873 | |
| 31 | S | A | -0.3876 | |
| 32 | G | A | -0.4231 | |
| 33 | S | A | 0.5047 | |
| 34 | F | A | 1.3150 | |
| 35 | S | A | 0.1929 | |
| 36 | N | A | -1.0442 | |
| 37 | E | A | -0.7432 | |
| 38 | I | A | 0.0000 | |
| 39 | P | A | 0.1102 | |
| 40 | L | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | R | A | -0.3667 | |
| 43 | Q | A | 0.2892 | |
| 44 | S | A | 0.2392 | |
| 45 | T | A | 0.7247 | |
| 46 | I | A | 1.3245 | |
| 47 | P | A | 0.1834 | |
| 48 | V | A | -0.2739 | |
| 49 | S | A | -0.7298 | |
| 50 | D | A | -1.6461 | |
| 51 | A | A | -0.8324 | |
| 52 | Q | A | -1.5072 | |
| 53 | R | A | -1.1987 | |
| 54 | F | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | E | A | -1.4980 | |
| 59 | L | A | 0.0000 | |
| 60 | T | A | -1.6761 | |
| 61 | N | A | 0.0000 | |
| 62 | Q | A | -2.2929 | |
| 63 | G | A | -1.3615 | |
| 64 | G | A | -1.4452 | |
| 65 | D | A | -0.8354 | |
| 66 | S | A | -0.9708 | |
| 67 | I | A | 0.0000 | |
| 68 | T | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | D | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | T | A | 0.0000 | |
| 75 | N | A | -0.3017 | |
| 76 | L | A | 0.0000 | |
| 77 | Y | A | 0.0980 | |
| 78 | V | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | Y | A | 0.0000 | |
| 82 | Q | A | -1.0814 | |
| 83 | A | A | 0.0000 | |
| 84 | G | A | -1.2295 | |
| 85 | D | A | -2.5132 | |
| 86 | Q | A | -1.9414 | |
| 87 | S | A | 0.0000 | |
| 88 | Y | A | -1.0496 | |
| 89 | F | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -2.5941 | |
| 92 | D | A | -2.4438 | |
| 93 | A | A | 0.0000 | |
| 94 | P | A | -1.8774 | |
| 95 | R | A | -2.5544 | |
| 96 | G | A | -1.9084 | |
| 97 | A | A | 0.0000 | |
| 98 | E | A | -2.4597 | |
| 99 | T | A | -1.4960 | |
| 100 | H | A | -1.3861 | |
| 101 | L | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | T | A | -1.1645 | |
| 104 | G | A | -1.1491 | |
| 105 | T | A | -1.6975 | |
| 106 | T | A | -1.7787 | |
| 107 | R | A | -2.6445 | |
| 108 | S | A | -1.5254 | |
| 109 | S | A | -1.4577 | |
| 110 | L | A | 0.0000 | |
| 111 | P | A | -0.6628 | |
| 112 | F | A | 0.0000 | |
| 113 | N | A | -1.4830 | |
| 114 | G | A | 0.0000 | |
| 115 | S | A | -0.3731 | |
| 116 | Y | A | -0.5968 | |
| 117 | P | A | -0.9407 | |
| 118 | D | A | -0.9262 | |
| 119 | L | A | 0.0000 | |
| 120 | E | A | -1.9386 | |
| 121 | R | A | -2.2549 | |
| 122 | Y | A | -1.5737 | |
| 123 | A | A | 0.0000 | |
| 124 | G | A | -1.9867 | |
| 125 | H | A | -2.1443 | |
| 126 | R | A | -1.4795 | |
| 127 | D | A | -1.1740 | |
| 128 | Q | A | -1.6882 | |
| 129 | I | A | 0.0000 | |
| 130 | P | A | -0.3626 | |
| 131 | L | A | 0.0000 | |
| 132 | G | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | D | A | -1.8868 | |
| 135 | Q | A | -1.3577 | |
| 136 | L | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | Q | A | -1.6528 | |
| 139 | S | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | T | A | -0.5953 | |
| 142 | A | A | -0.3392 | |
| 143 | L | A | 0.0000 | |
| 144 | R | A | -0.1776 | |
| 145 | F | A | 1.1084 | |
| 146 | P | A | 0.1500 | |
| 147 | G | A | -0.2168 | |
| 148 | G | A | -0.5260 | |
| 149 | S | A | -1.0276 | |
| 150 | T | A | -1.1739 | |
| 151 | R | A | -2.3581 | |
| 152 | T | A | -1.5089 | |
| 153 | Q | A | -0.9943 | |
| 154 | A | A | 0.0000 | |
| 155 | R | A | -1.7418 | |
| 156 | S | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | I | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | Q | A | 0.0000 | |
| 163 | M | A | 0.0000 | |
| 164 | I | A | 0.0000 | |
| 165 | S | A | 0.0000 | |
| 166 | E | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | A | A | 0.0000 | |
| 169 | R | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | N | A | -0.2062 | |
| 172 | P | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | W | A | -0.1870 | |
| 176 | R | A | -0.6163 | |
| 177 | A | A | 0.0000 | |
| 178 | R | A | -1.1780 | |
| 179 | Q | A | -1.2797 | |
| 180 | Y | A | -0.5690 | |
| 181 | I | A | 0.0000 | |
| 182 | N | A | -2.1209 | |
| 183 | S | A | -1.0687 | |
| 184 | G | A | -1.4463 | |
| 185 | A | A | -0.6349 | |
| 186 | S | A | -0.2629 | |
| 187 | F | A | 0.0000 | |
| 188 | L | A | 0.3496 | |
| 189 | P | A | 0.0000 | |
| 190 | D | A | -0.2536 | |
| 191 | V | A | 0.5981 | |
| 192 | Y | A | 0.0000 | |
| 193 | M | A | 0.0000 | |
| 194 | L | A | 0.1144 | |
| 195 | E | A | -0.3501 | |
| 196 | L | A | 0.0000 | |
| 197 | E | A | 0.0000 | |
| 198 | T | A | -0.2685 | |
| 199 | S | A | 0.0000 | |
| 200 | W | A | 0.0000 | |
| 201 | G | A | -0.3768 | |
| 202 | Q | A | -0.9363 | |
| 203 | Q | A | 0.0000 | |
| 204 | S | A | 0.0000 | |
| 205 | T | A | -0.4680 | |
| 206 | Q | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | Q | A | -0.1101 | |
| 209 | H | A | -1.0716 | |
| 210 | S | A | -0.8724 | |
| 211 | T | A | -0.8006 | |
| 212 | D | A | -1.6031 | |
| 213 | G | A | -0.7709 | |
| 214 | V | A | 0.4153 | |
| 215 | F | A | 0.0000 | |
| 216 | N | A | -1.6439 | |
| 217 | N | A | -2.0744 | |
| 218 | P | A | -1.2310 | |
| 219 | I | A | 0.0000 | |
| 220 | R | A | -1.7569 | |
| 221 | L | A | 0.0000 | |
| 222 | A | A | -0.1553 | |
| 223 | I | A | 0.0000 | |
| 224 | P | A | -0.7143 | |
| 225 | P | A | -0.8360 | |
| 226 | G | A | -0.7258 | |
| 227 | N | A | -0.7272 | |
| 228 | F | A | 0.1765 | |
| 229 | V | A | 0.0000 | |
| 230 | T | A | -0.5571 | |
| 231 | L | A | 0.0000 | |
| 232 | T | A | -0.5499 | |
| 233 | N | A | -0.3126 | |
| 234 | V | A | 0.0000 | |
| 235 | R | A | -0.4107 | |
| 236 | D | A | -0.2897 | |
| 237 | V | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | A | A | -0.1791 | |
| 240 | S | A | -0.1681 | |
| 241 | L | A | 0.0000 | |
| 242 | A | A | -0.2471 | |
| 243 | I | A | 0.0000 | |
| 244 | M | A | 0.0000 | |
| 245 | L | A | 0.5287 | |
| 246 | F | A | 1.2132 | |
| 247 | V | A | 0.6072 | |
| 248 | C | A | 0.0621 | |
| 249 | G | A | -1.4451 | |
| 250 | E | A | -2.8575 | |
| 251 | R | A | -2.9275 | |
| 252 | P | A | -1.7985 | |
| 253 | S | A | -1.1331 | |
| 254 | A | A | -0.3886 | |
| 255 | A | A | -0.1682 | |
| 256 | A | A | -0.2671 | |
| 257 | G | A | -0.7505 | |
| 258 | G | A | -1.0006 | |
| 259 | G | A | -1.0739 | |
| 260 | G | A | -0.9969 | |
| 261 | S | A | -0.8828 | |
| 262 | G | A | -1.0587 | |
| 263 | G | A | -1.1019 | |
| 264 | G | A | -1.1364 | |
| 265 | G | A | -1.1312 | |
| 266 | S | A | -1.0047 | |
| 267 | G | A | -1.1703 | |
| 268 | G | A | -1.1997 | |
| 269 | G | A | -1.0119 | |
| 270 | G | A | -0.7298 | |
| 271 | S | A | -0.3453 | |
| 272 | M | A | 0.2914 | |
| 273 | A | A | -0.2287 | |
| 274 | Q | A | -1.1643 | |
| 275 | V | A | 0.0000 | |
| 276 | Q | A | -0.8348 | |
| 277 | L | A | 0.0000 | |
| 278 | V | A | 0.5503 | |
| 279 | E | A | 0.0000 | |
| 280 | S | A | -0.4512 | |
| 281 | G | A | -0.9702 | |
| 282 | G | A | -0.4095 | |
| 283 | G | A | 0.2850 | |
| 284 | V | A | 1.3224 | |
| 285 | V | A | 0.0000 | |
| 286 | Q | A | -1.9415 | |
| 287 | P | A | -2.1996 | |
| 288 | G | A | -2.2985 | |
| 289 | R | A | -2.9142 | |
| 290 | S | A | -2.1567 | |
| 291 | L | A | -1.2683 | |
| 292 | R | A | -1.7207 | |
| 293 | L | A | 0.0000 | |
| 294 | S | A | -0.3949 | |
| 295 | C | A | 0.0000 | |
| 296 | S | A | -0.2889 | |
| 297 | S | A | 0.0000 | |
| 298 | S | A | -0.6014 | |
| 299 | G | A | -0.4054 | |
| 300 | F | A | 0.0000 | |
| 301 | I | A | 0.0337 | |
| 302 | F | A | 0.0000 | |
| 303 | S | A | -0.8525 | |
| 304 | D | A | -0.4402 | |
| 305 | N | A | 0.0000 | |
| 306 | Y | A | 0.0563 | |
| 307 | M | A | 0.0000 | |
| 308 | Y | A | 0.0000 | |
| 309 | W | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | R | A | 0.0000 | |
| 312 | Q | A | -0.8145 | |
| 313 | A | A | -1.2391 | |
| 314 | P | A | -1.1593 | |
| 315 | G | A | -1.4485 | |
| 316 | K | A | -2.3901 | |
| 317 | G | A | -1.6372 | |
| 318 | L | A | 0.0000 | |
| 319 | E | A | -1.0807 | |
| 320 | W | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | T | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | D | A | -0.5276 | |
| 327 | G | A | -0.8529 | |
| 328 | G | A | -0.4437 | |
| 329 | S | A | -0.0412 | |
| 330 | Y | A | 0.9055 | |
| 331 | T | A | 0.6869 | |
| 332 | Y | A | 0.3661 | |
| 333 | Y | A | -0.6735 | |
| 334 | P | A | -1.5883 | |
| 335 | D | A | -2.8274 | |
| 336 | S | A | -1.9551 | |
| 337 | V | A | 0.0000 | |
| 338 | K | A | -2.5551 | |
| 339 | G | A | -1.7901 | |
| 340 | R | A | -1.5575 | |
| 341 | F | A | 0.0000 | |
| 342 | T | A | -0.7376 | |
| 343 | I | A | 0.0000 | |
| 344 | S | A | -0.2246 | |
| 345 | R | A | -0.9514 | |
| 346 | D | A | -1.4420 | |
| 347 | N | A | -1.6743 | |
| 348 | S | A | -1.5813 | |
| 349 | K | A | -2.3210 | |
| 350 | N | A | -1.4962 | |
| 351 | T | A | -0.9321 | |
| 352 | L | A | 0.0000 | |
| 353 | F | A | -0.3369 | |
| 354 | L | A | 0.0000 | |
| 355 | Q | A | -1.0207 | |
| 356 | M | A | 0.0000 | |
| 357 | D | A | -2.0758 | |
| 358 | S | A | -1.9317 | |
| 359 | L | A | 0.0000 | |
| 360 | R | A | -2.6344 | |
| 361 | P | A | -2.0322 | |
| 362 | E | A | -2.6247 | |
| 363 | D | A | 0.0000 | |
| 364 | T | A | -0.7229 | |
| 365 | G | A | 0.0000 | |
| 366 | V | A | 0.1007 | |
| 367 | Y | A | 0.0000 | |
| 368 | F | A | 0.0000 | |
| 369 | C | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | R | A | 0.0000 | |
| 372 | G | A | 0.0000 | |
| 373 | Y | A | 0.0000 | |
| 374 | Y | A | 0.0463 | |
| 375 | R | A | -0.3117 | |
| 376 | Y | A | 0.0000 | |
| 377 | E | A | -0.4132 | |
| 378 | G | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | M | A | 0.0000 | |
| 381 | D | A | 0.0000 | |
| 382 | Y | A | -0.1750 | |
| 383 | W | A | -0.4326 | |
| 384 | G | A | 0.0000 | |
| 385 | Q | A | -1.3943 | |
| 386 | G | A | 0.0000 | |
| 387 | T | A | 0.0000 | |
| 388 | P | A | 0.0279 | |
| 389 | V | A | 0.0000 | |
| 390 | T | A | -0.0291 | |
| 391 | V | A | 0.0000 | |
| 392 | S | A | -1.0367 | |
| 393 | S | A | -1.1917 | |
| 394 | G | A | -1.2033 | |
| 395 | G | A | -1.1100 | |
| 396 | G | A | -1.1746 | |
| 397 | G | A | -1.1728 | |
| 398 | S | A | -0.9289 | |
| 399 | G | A | -1.3558 | |
| 400 | G | A | -1.3852 | |
| 401 | G | A | -1.4348 | |
| 402 | G | A | -1.3940 | |
| 403 | S | A | -1.2374 | |
| 404 | G | A | -1.1925 | |
| 405 | G | A | -1.6776 | |
| 406 | G | A | -1.5047 | |
| 407 | G | A | -1.8262 | |
| 408 | S | A | -1.2067 | |
| 409 | D | A | -2.0121 | |
| 410 | I | A | -1.3751 | |
| 411 | Q | A | -1.9425 | |
| 412 | L | A | 0.0000 | |
| 413 | T | A | -1.2434 | |
| 414 | Q | A | 0.0000 | |
| 415 | S | A | -0.6172 | |
| 416 | P | A | -0.5255 | |
| 417 | S | A | -0.7427 | |
| 418 | S | A | -0.7878 | |
| 419 | L | A | -0.6580 | |
| 420 | S | A | -0.9712 | |
| 421 | A | A | 0.0000 | |
| 422 | S | A | -0.7637 | |
| 423 | V | A | 0.0534 | |
| 424 | G | A | -0.8455 | |
| 425 | D | A | -1.7520 | |
| 426 | R | A | -2.3610 | |
| 427 | V | A | 0.0000 | |
| 428 | T | A | -0.6318 | |
| 429 | I | A | 0.0000 | |
| 430 | T | A | -0.7206 | |
| 431 | C | A | 0.0000 | |
| 432 | K | A | -2.2220 | |
| 433 | S | A | 0.0000 | |
| 434 | S | A | -1.7471 | |
| 435 | Q | A | -1.9198 | |
| 436 | S | A | -0.8115 | |
| 437 | V | A | 0.0000 | |
| 438 | L | A | 0.0497 | |
| 439 | Y | A | 0.3825 | |
| 440 | S | A | -0.4033 | |
| 441 | S | A | -0.6118 | |
| 442 | N | A | -1.0480 | |
| 443 | Q | A | -1.4590 | |
| 444 | K | A | -1.0750 | |
| 445 | N | A | -0.4030 | |
| 446 | Y | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | W | A | 0.0000 | |
| 450 | Y | A | 0.0000 | |
| 451 | Q | A | 0.0000 | |
| 452 | Q | A | 0.0000 | |
| 453 | K | A | -1.7558 | |
| 454 | P | A | -1.2202 | |
| 455 | G | A | -1.6921 | |
| 456 | K | A | -2.6801 | |
| 457 | A | A | -1.6920 | |
| 458 | P | A | 0.0000 | |
| 459 | K | A | -1.5534 | |
| 460 | L | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | I | A | 0.0000 | |
| 463 | Y | A | 0.0000 | |
| 464 | W | A | -0.4853 | |
| 465 | A | A | 0.0000 | |
| 466 | S | A | -0.6547 | |
| 467 | T | A | -0.5147 | |
| 468 | R | A | -0.9429 | |
| 469 | E | A | 0.0000 | |
| 470 | S | A | -0.9948 | |
| 471 | G | A | -0.9689 | |
| 472 | V | A | -0.6056 | |
| 473 | P | A | -0.5270 | |
| 474 | S | A | -0.5986 | |
| 475 | R | A | -0.7556 | |
| 476 | F | A | 0.0000 | |
| 477 | S | A | -0.5295 | |
| 478 | G | A | -0.4838 | |
| 479 | S | A | -0.6845 | |
| 480 | G | A | -1.0586 | |
| 481 | S | A | -0.9543 | |
| 482 | G | A | -0.9509 | |
| 483 | T | A | -1.5133 | |
| 484 | D | A | -2.0875 | |
| 485 | F | A | 0.0000 | |
| 486 | T | A | -0.7182 | |
| 487 | F | A | 0.0000 | |
| 488 | T | A | -0.5808 | |
| 489 | I | A | 0.0000 | |
| 490 | S | A | -1.3453 | |
| 491 | S | A | -1.2095 | |
| 492 | L | A | 0.0000 | |
| 493 | Q | A | -0.7898 | |
| 494 | P | A | -0.8538 | |
| 495 | E | A | -1.5944 | |
| 496 | D | A | 0.0000 | |
| 497 | I | A | -0.5000 | |
| 498 | A | A | 0.0000 | |
| 499 | T | A | -0.6830 | |
| 500 | Y | A | 0.0000 | |
| 501 | Y | A | 0.0000 | |
| 502 | C | A | 0.0000 | |
| 503 | H | A | 0.0000 | |
| 504 | Q | A | 0.0000 | |
| 505 | Y | A | 0.0000 | |
| 506 | L | A | 0.4289 | |
| 507 | S | A | -0.1331 | |
| 508 | S | A | -0.5490 | |
| 509 | W | A | -0.1546 | |
| 510 | T | A | -0.6225 | |
| 511 | F | A | 0.0000 | |
| 512 | G | A | 0.0000 | |
| 513 | Q | A | -1.6669 | |
| 514 | G | A | 0.0000 | |
| 515 | T | A | 0.0000 | |
| 516 | K | A | -1.1672 | |
| 517 | L | A | 0.0000 | |
| 518 | E | A | -1.2384 | |
| 519 | I | A | -0.8188 | |
| 520 | K | A | -1.5466 |
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 | -0.5287 | 3.96 | View | CSV | PDB |
| 4.5 | -0.5615 | 3.9536 | View | CSV | PDB |
| 5.0 | -0.5989 | 3.946 | View | CSV | PDB |
| 5.5 | -0.6351 | 3.9379 | View | CSV | PDB |
| 6.0 | -0.665 | 3.9297 | View | CSV | PDB |
| 6.5 | -0.6855 | 3.9214 | View | CSV | PDB |
| 7.0 | -0.697 | 3.9131 | View | CSV | PDB |
| 7.5 | -0.7023 | 3.905 | View | CSV | PDB |
| 8.0 | -0.7035 | 3.897 | View | CSV | PDB |
| 8.5 | -0.7003 | 3.8898 | View | CSV | PDB |
| 9.0 | -0.6916 | 3.8843 | 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