| Chain sequence(s) |
A: SPNSQYLKTRILDIYTPEQRAGIEKSEDWRQFSRRMDTHFPKLMNELDSVYGNNEALLPMLEMLLAQAWQSYSQRNSSLKDIDIARENNPDWILSNKQVGGVCYVDLFAGDLKGLKDKIPYFQELGLTYLHLMPLFKCPEGKSDGGYAVSSYRDVNPALGTIGDLREVIAALHEAGISAVVDFIFNHTSNEHEWAQRCAAGDPLFDNFYYIFPDRRMPDQYDRTLREIFPDQHPGGFSQLEDGRWVWTTFNSFQWDLNYSNPWVFRAMAGEMLFLANLGVDILRMDAVAFIWKQMGTSCENLPQAHALIRAFNAVMRIAAPAVFFKSEAIVHPDQVVQYIGQDECQIGYNPLQMALLWNTLATREVNLLHQALTYRHNLPEHTAWVNYVRSHDDIGWTFADEDAAYLGISGYDHRQFLNRFFVNRFDGSFARGVPFQYNPSTGDCRVSGTAAALVGLAQDDPHAVDRIKLLYSIALSTGGLPLIYLGDEVGTLNDDDWSQDSNKSDDSRWAHRPRYNEALYAQRNDPSTAAGQIYQDLRHMIAVRQSNPRFDGGRLVTFNTNNKHIIGYIRNNALLAFGNFSEYPQTVTAHTLQAMPFKAHDLIGGKTVSLNQDLTLQPYQVMWLEIA
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[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 (00:06:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/405bf03e609c6e4/tmp/folded.pdb (00:06:40)
[INFO] Main: Simulation completed successfully. (00:09:46)
|
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 | S | A | -1.0120 | |
| 2 | P | A | -0.6648 | |
| 3 | N | A | -1.6941 | |
| 4 | S | A | 0.0000 | |
| 5 | Q | A | -1.6443 | |
| 6 | Y | A | -0.3536 | |
| 7 | L | A | 0.0000 | |
| 8 | K | A | 0.0000 | |
| 9 | T | A | -0.8322 | |
| 10 | R | A | -1.5116 | |
| 11 | I | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | D | A | -1.2800 | |
| 14 | I | A | 0.8115 | |
| 15 | Y | A | -0.3878 | |
| 16 | T | A | -1.0320 | |
| 17 | P | A | -1.6673 | |
| 18 | E | A | -2.6630 | |
| 19 | Q | A | -2.2500 | |
| 20 | R | A | -2.1323 | |
| 21 | A | A | -2.0347 | |
| 22 | G | A | -2.1057 | |
| 23 | I | A | -2.0822 | |
| 24 | E | A | -2.7781 | |
| 25 | K | A | -3.0643 | |
| 26 | S | A | -2.5776 | |
| 27 | E | A | -3.0279 | |
| 28 | D | A | -2.4025 | |
| 29 | W | A | 0.0000 | |
| 30 | R | A | -3.1448 | |
| 31 | Q | A | -2.0314 | |
| 32 | F | A | 0.0000 | |
| 33 | S | A | -2.4554 | |
| 34 | R | A | -2.9356 | |
| 35 | R | A | 0.0000 | |
| 36 | M | A | 0.0000 | |
| 37 | D | A | -2.9640 | |
| 38 | T | A | -1.6118 | |
| 39 | H | A | -1.2796 | |
| 40 | F | A | 0.0000 | |
| 41 | P | A | -1.4716 | |
| 42 | K | A | -1.6921 | |
| 43 | L | A | 0.0000 | |
| 44 | M | A | 0.0000 | |
| 45 | N | A | -2.2592 | |
| 46 | E | A | -1.6950 | |
| 47 | L | A | 0.0000 | |
| 48 | D | A | -2.4238 | |
| 49 | S | A | -1.5118 | |
| 50 | V | A | -1.0031 | |
| 51 | Y | A | 0.0000 | |
| 52 | G | A | -2.0190 | |
| 53 | N | A | -2.3532 | |
| 54 | N | A | -2.2418 | |
| 55 | E | A | -2.3309 | |
| 56 | A | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | L | A | -0.1965 | |
| 59 | P | A | -0.0281 | |
| 60 | M | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | E | A | -0.3133 | |
| 63 | M | A | 0.1110 | |
| 64 | L | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | A | A | -0.4513 | |
| 67 | Q | A | -1.1327 | |
| 68 | A | A | 0.0000 | |
| 69 | W | A | 0.0000 | |
| 70 | Q | A | -1.5554 | |
| 71 | S | A | 0.0000 | |
| 72 | Y | A | 0.0000 | |
| 73 | S | A | -1.5625 | |
| 74 | Q | A | -1.9078 | |
| 75 | R | A | 0.0000 | |
| 76 | N | A | -2.0818 | |
| 77 | S | A | -1.5850 | |
| 78 | S | A | -1.2737 | |
| 79 | L | A | 0.0000 | |
| 80 | K | A | -1.1951 | |
| 81 | D | A | -1.6747 | |
| 82 | I | A | -0.3588 | |
| 83 | D | A | 0.0000 | |
| 84 | I | A | -0.2635 | |
| 85 | A | A | -0.8233 | |
| 86 | R | A | -1.4610 | |
| 87 | E | A | -1.8211 | |
| 88 | N | A | -2.2423 | |
| 89 | N | A | -2.4325 | |
| 90 | P | A | -2.1868 | |
| 91 | D | A | -2.1552 | |
| 92 | W | A | -1.2020 | |
| 93 | I | A | 0.0000 | |
| 94 | L | A | -1.1696 | |
| 95 | S | A | -1.1924 | |
| 96 | N | A | 0.0000 | |
| 97 | K | A | -2.0508 | |
| 98 | Q | A | -1.0830 | |
| 99 | V | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | C | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | D | A | -1.3053 | |
| 107 | L | A | -1.1106 | |
| 108 | F | A | 0.0000 | |
| 109 | A | A | -1.5302 | |
| 110 | G | A | -1.5443 | |
| 111 | D | A | -1.9374 | |
| 112 | L | A | 0.0000 | |
| 113 | K | A | -3.0711 | |
| 114 | G | A | -2.3200 | |
| 115 | L | A | 0.0000 | |
| 116 | K | A | -2.7089 | |
| 117 | D | A | -2.7357 | |
| 118 | K | A | -1.9207 | |
| 119 | I | A | 0.0000 | |
| 120 | P | A | -1.4854 | |
| 121 | Y | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | Q | A | -1.7769 | |
| 124 | E | A | -1.7249 | |
| 125 | L | A | 0.0000 | |
| 126 | G | A | -1.1630 | |
| 127 | L | A | 0.0000 | |
| 128 | T | A | -0.7125 | |
| 129 | Y | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | H | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | M | A | 0.0000 | |
| 134 | P | A | -0.2343 | |
| 135 | L | A | 0.0000 | |
| 136 | F | A | -1.1060 | |
| 137 | K | A | -1.9223 | |
| 138 | C | A | -1.5569 | |
| 139 | P | A | -1.7500 | |
| 140 | E | A | -2.4677 | |
| 141 | G | A | -2.0973 | |
| 142 | K | A | -1.8359 | |
| 143 | S | A | -1.1606 | |
| 144 | D | A | -0.6250 | |
| 145 | G | A | -0.4194 | |
| 146 | G | A | -0.6269 | |
| 147 | Y | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | S | A | -1.5328 | |
| 151 | S | A | -1.6486 | |
| 152 | Y | A | 0.0000 | |
| 153 | R | A | -1.8599 | |
| 154 | D | A | -2.4467 | |
| 155 | V | A | 0.0000 | |
| 156 | N | A | -1.3365 | |
| 157 | P | A | -0.8710 | |
| 158 | A | A | -0.6454 | |
| 159 | L | A | 0.0000 | |
| 160 | G | A | -0.9327 | |
| 161 | T | A | -0.9286 | |
| 162 | I | A | -0.6500 | |
| 163 | G | A | -0.8791 | |
| 164 | D | A | -1.7049 | |
| 165 | L | A | 0.0000 | |
| 166 | R | A | -2.0323 | |
| 167 | E | A | -2.7888 | |
| 168 | V | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | A | A | -1.5829 | |
| 171 | A | A | -1.7803 | |
| 172 | L | A | 0.0000 | |
| 173 | H | A | -1.5007 | |
| 174 | E | A | -2.0847 | |
| 175 | A | A | -1.4567 | |
| 176 | G | A | -1.3088 | |
| 177 | I | A | 0.0000 | |
| 178 | S | A | -0.4210 | |
| 179 | A | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | D | A | -0.1665 | |
| 183 | F | A | 0.0000 | |
| 184 | I | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | N | A | 0.0000 | |
| 187 | H | A | 0.0000 | |
| 188 | T | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | N | A | -1.4526 | |
| 191 | E | A | -2.2442 | |
| 192 | H | A | 0.0000 | |
| 193 | E | A | -2.7009 | |
| 194 | W | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | Q | A | -2.4924 | |
| 197 | R | A | -2.1391 | |
| 198 | C | A | -1.6608 | |
| 199 | A | A | -1.3186 | |
| 200 | A | A | -1.0504 | |
| 201 | G | A | -1.3183 | |
| 202 | D | A | -1.1614 | |
| 203 | P | A | -0.7178 | |
| 204 | L | A | 0.4669 | |
| 205 | F | A | 0.0000 | |
| 206 | D | A | -2.2987 | |
| 207 | N | A | -1.9834 | |
| 208 | F | A | 0.0000 | |
| 209 | Y | A | 0.0000 | |
| 210 | Y | A | -0.0882 | |
| 211 | I | A | 0.1375 | |
| 212 | F | A | -0.3710 | |
| 213 | P | A | -1.1583 | |
| 214 | D | A | -1.7535 | |
| 215 | R | A | -2.3427 | |
| 216 | R | A | -2.6518 | |
| 217 | M | A | -1.3588 | |
| 218 | P | A | 0.0000 | |
| 219 | D | A | -3.1344 | |
| 220 | Q | A | -2.5101 | |
| 221 | Y | A | 0.0000 | |
| 222 | D | A | -2.4186 | |
| 223 | R | A | -2.8660 | |
| 224 | T | A | -1.8069 | |
| 225 | L | A | -1.7010 | |
| 226 | R | A | -2.0466 | |
| 227 | E | A | -1.5099 | |
| 228 | I | A | -0.7032 | |
| 229 | F | A | 0.0000 | |
| 230 | P | A | -1.2583 | |
| 231 | D | A | -2.0818 | |
| 232 | Q | A | -1.5560 | |
| 233 | H | A | -1.0049 | |
| 234 | P | A | -1.0434 | |
| 235 | G | A | -1.2889 | |
| 236 | G | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | S | A | -0.8211 | |
| 239 | Q | A | -2.0483 | |
| 240 | L | A | -1.9961 | |
| 241 | E | A | -3.0030 | |
| 242 | D | A | -3.0370 | |
| 243 | G | A | -2.2772 | |
| 244 | R | A | -1.8459 | |
| 245 | W | A | -1.2306 | |
| 246 | V | A | 0.0000 | |
| 247 | W | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | F | A | 0.0700 | |
| 251 | N | A | 0.0000 | |
| 252 | S | A | -0.2782 | |
| 253 | F | A | -0.2637 | |
| 254 | Q | A | 0.0000 | |
| 255 | W | A | 0.0000 | |
| 256 | D | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | N | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | S | A | -0.3819 | |
| 261 | N | A | -0.8497 | |
| 262 | P | A | 0.0000 | |
| 263 | W | A | -0.2367 | |
| 264 | V | A | 0.0000 | |
| 265 | F | A | 0.0000 | |
| 266 | R | A | -0.8570 | |
| 267 | A | A | -0.4236 | |
| 268 | M | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | G | A | -0.4670 | |
| 271 | E | A | -0.3791 | |
| 272 | M | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | F | A | 0.0125 | |
| 275 | L | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | N | A | -0.7141 | |
| 278 | L | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | D | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | R | A | 0.0000 | |
| 285 | M | A | 0.0000 | |
| 286 | D | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | A | A | 0.0000 | |
| 290 | F | A | 0.0971 | |
| 291 | I | A | 0.0000 | |
| 292 | W | A | -0.2715 | |
| 293 | K | A | -0.6302 | |
| 294 | Q | A | -1.0032 | |
| 295 | M | A | -0.7780 | |
| 296 | G | A | -1.1047 | |
| 297 | T | A | -0.8269 | |
| 298 | S | A | -1.0223 | |
| 299 | C | A | 0.0000 | |
| 300 | E | A | -0.5997 | |
| 301 | N | A | -0.5780 | |
| 302 | L | A | -0.3662 | |
| 303 | P | A | -0.3401 | |
| 304 | Q | A | -0.4293 | |
| 305 | A | A | 0.0000 | |
| 306 | H | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | R | A | -1.2179 | |
| 311 | A | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | M | A | 0.0000 | |
| 317 | R | A | -0.4700 | |
| 318 | I | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | P | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | F | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | K | A | 0.0000 | |
| 327 | S | A | 0.0000 | |
| 328 | E | A | -0.0598 | |
| 329 | A | A | 0.0000 | |
| 330 | I | A | 0.5268 | |
| 331 | V | A | 0.0000 | |
| 332 | H | A | -0.7891 | |
| 333 | P | A | 0.0000 | |
| 334 | D | A | -1.7412 | |
| 335 | Q | A | -1.2852 | |
| 336 | V | A | 0.0000 | |
| 337 | V | A | -0.5946 | |
| 338 | Q | A | -1.3638 | |
| 339 | Y | A | 0.0000 | |
| 340 | I | A | 0.0000 | |
| 341 | G | A | -1.3478 | |
| 342 | Q | A | -1.9031 | |
| 343 | D | A | -1.5231 | |
| 344 | E | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | Q | A | 0.0000 | |
| 347 | I | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | Y | A | 0.0000 | |
| 350 | N | A | 0.0000 | |
| 351 | P | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | Q | A | 0.0000 | |
| 354 | M | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | W | A | 0.0000 | |
| 359 | N | A | 0.0000 | |
| 360 | T | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | T | A | -0.4267 | |
| 364 | R | A | -0.9282 | |
| 365 | E | A | -1.5252 | |
| 366 | V | A | 0.0000 | |
| 367 | N | A | -0.9559 | |
| 368 | L | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | H | A | -0.6405 | |
| 371 | Q | A | 0.1508 | |
| 372 | A | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | T | A | 0.6860 | |
| 375 | Y | A | 1.0452 | |
| 376 | R | A | -0.1110 | |
| 377 | H | A | 0.0000 | |
| 378 | N | A | -1.4819 | |
| 379 | L | A | -1.2927 | |
| 380 | P | A | -1.6462 | |
| 381 | E | A | -2.6826 | |
| 382 | H | A | -2.0563 | |
| 383 | T | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | W | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | N | A | 0.0000 | |
| 388 | Y | A | 0.0000 | |
| 389 | V | A | 0.0000 | |
| 390 | R | A | 0.0000 | |
| 391 | S | A | -0.1896 | |
| 392 | H | A | 0.0000 | |
| 393 | D | A | -0.4694 | |
| 394 | D | A | -0.4314 | |
| 395 | I | A | 0.0000 | |
| 396 | G | A | -0.3614 | |
| 397 | W | A | 0.0000 | |
| 398 | T | A | -0.1660 | |
| 399 | F | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | D | A | -1.6325 | |
| 402 | E | A | -1.8748 | |
| 403 | D | A | -0.6794 | |
| 404 | A | A | 0.0000 | |
| 405 | A | A | -0.1205 | |
| 406 | Y | A | 0.9680 | |
| 407 | L | A | 0.8141 | |
| 408 | G | A | 0.2523 | |
| 409 | I | A | -0.0826 | |
| 410 | S | A | -0.6321 | |
| 411 | G | A | 0.0000 | |
| 412 | Y | A | -0.2302 | |
| 413 | D | A | -1.3666 | |
| 414 | H | A | -0.8471 | |
| 415 | R | A | -1.1296 | |
| 416 | Q | A | -1.4184 | |
| 417 | F | A | -0.8827 | |
| 418 | L | A | 0.0000 | |
| 419 | N | A | 0.0000 | |
| 420 | R | A | -2.5074 | |
| 421 | F | A | 0.0000 | |
| 422 | F | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | N | A | -2.3650 | |
| 425 | R | A | -2.9595 | |
| 426 | F | A | -1.7697 | |
| 427 | D | A | -2.3727 | |
| 428 | G | A | -1.4992 | |
| 429 | S | A | 0.0000 | |
| 430 | F | A | 0.0000 | |
| 431 | A | A | 0.0000 | |
| 432 | R | A | -1.0441 | |
| 433 | G | A | -0.7656 | |
| 434 | V | A | -0.1461 | |
| 435 | P | A | -0.0178 | |
| 436 | F | A | 0.0000 | |
| 437 | Q | A | 0.0000 | |
| 438 | Y | A | 0.3301 | |
| 439 | N | A | 0.0000 | |
| 440 | P | A | -0.3821 | |
| 441 | S | A | -0.4875 | |
| 442 | T | A | -0.5614 | |
| 443 | G | A | -0.6683 | |
| 444 | D | A | -1.3933 | |
| 445 | C | A | 0.0000 | |
| 446 | R | A | -0.4261 | |
| 447 | V | A | 0.0000 | |
| 448 | S | A | 0.0000 | |
| 449 | G | A | 0.0000 | |
| 450 | T | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | A | A | 0.0000 | |
| 453 | A | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | G | A | 0.0000 | |
| 457 | L | A | -0.8284 | |
| 458 | A | A | -0.8032 | |
| 459 | Q | A | -1.5430 | |
| 460 | D | A | -2.1991 | |
| 461 | D | A | -1.4489 | |
| 462 | P | A | -1.1547 | |
| 463 | H | A | -1.0220 | |
| 464 | A | A | 0.0000 | |
| 465 | V | A | -0.7468 | |
| 466 | D | A | -1.1052 | |
| 467 | R | A | 0.0000 | |
| 468 | I | A | 0.0000 | |
| 469 | K | A | -0.6913 | |
| 470 | L | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | Y | A | 0.0000 | |
| 473 | S | A | 0.0000 | |
| 474 | I | A | 0.0000 | |
| 475 | A | A | 0.0000 | |
| 476 | L | A | 0.0000 | |
| 477 | S | A | 0.0000 | |
| 478 | T | A | 0.0000 | |
| 479 | G | A | 0.0000 | |
| 480 | G | A | 0.0000 | |
| 481 | L | A | 0.0000 | |
| 482 | P | A | 0.0000 | |
| 483 | L | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | Y | A | 0.0000 | |
| 486 | L | A | 0.0000 | |
| 487 | G | A | -0.2674 | |
| 488 | D | A | 0.0000 | |
| 489 | E | A | 0.0000 | |
| 490 | V | A | 0.0000 | |
| 491 | G | A | 0.0000 | |
| 492 | T | A | 0.0000 | |
| 493 | L | A | -0.3777 | |
| 494 | N | A | -1.1933 | |
| 495 | D | A | -2.1661 | |
| 496 | D | A | -3.1962 | |
| 497 | D | A | -3.2971 | |
| 498 | W | A | -2.4403 | |
| 499 | S | A | -2.2168 | |
| 500 | Q | A | -2.6154 | |
| 501 | D | A | -2.1953 | |
| 502 | S | A | -1.7757 | |
| 503 | N | A | -2.4546 | |
| 504 | K | A | -2.2677 | |
| 505 | S | A | -2.0309 | |
| 506 | D | A | -2.1409 | |
| 507 | D | A | -1.3616 | |
| 508 | S | A | 0.0000 | |
| 509 | R | A | 0.0000 | |
| 510 | W | A | -0.8248 | |
| 511 | A | A | 0.0000 | |
| 512 | H | A | 0.0000 | |
| 513 | R | A | 0.0000 | |
| 514 | P | A | -1.5699 | |
| 515 | R | A | -2.4541 | |
| 516 | Y | A | -1.4425 | |
| 517 | N | A | -1.5903 | |
| 518 | E | A | -2.1560 | |
| 519 | A | A | -0.9387 | |
| 520 | L | A | -0.7313 | |
| 521 | Y | A | 0.0000 | |
| 522 | A | A | -1.0789 | |
| 523 | Q | A | -1.5446 | |
| 524 | R | A | -1.6459 | |
| 525 | N | A | -2.2873 | |
| 526 | D | A | -2.1880 | |
| 527 | P | A | -1.6161 | |
| 528 | S | A | -1.0205 | |
| 529 | T | A | -0.9053 | |
| 530 | A | A | -0.7375 | |
| 531 | A | A | 0.0000 | |
| 532 | G | A | 0.0000 | |
| 533 | Q | A | -1.5927 | |
| 534 | I | A | 0.0000 | |
| 535 | Y | A | 0.0000 | |
| 536 | Q | A | -1.7509 | |
| 537 | D | A | -1.4215 | |
| 538 | L | A | 0.0000 | |
| 539 | R | A | -1.1778 | |
| 540 | H | A | -0.9438 | |
| 541 | M | A | 0.0000 | |
| 542 | I | A | 0.0000 | |
| 543 | A | A | -0.5710 | |
| 544 | V | A | -0.3051 | |
| 545 | R | A | 0.0000 | |
| 546 | Q | A | -1.2247 | |
| 547 | S | A | -0.8490 | |
| 548 | N | A | -0.8255 | |
| 549 | P | A | -1.2966 | |
| 550 | R | A | -1.4523 | |
| 551 | F | A | 0.0000 | |
| 552 | D | A | -2.0977 | |
| 553 | G | A | -1.5725 | |
| 554 | G | A | -1.8319 | |
| 555 | R | A | -2.4229 | |
| 556 | L | A | 0.0000 | |
| 557 | V | A | 0.8992 | |
| 558 | T | A | 0.7568 | |
| 559 | F | A | -0.1555 | |
| 560 | N | A | -1.6419 | |
| 561 | T | A | 0.0000 | |
| 562 | N | A | -2.2852 | |
| 563 | N | A | -2.0048 | |
| 564 | K | A | -2.6965 | |
| 565 | H | A | -1.5209 | |
| 566 | I | A | 0.0000 | |
| 567 | I | A | 0.0000 | |
| 568 | G | A | 0.0000 | |
| 569 | Y | A | 0.0000 | |
| 570 | I | A | -0.1591 | |
| 571 | R | A | 0.0000 | |
| 572 | N | A | -2.2842 | |
| 573 | N | A | -1.5917 | |
| 574 | A | A | -1.0951 | |
| 575 | L | A | 0.0000 | |
| 576 | L | A | 0.0000 | |
| 577 | A | A | 0.0000 | |
| 578 | F | A | 0.0000 | |
| 579 | G | A | 0.0000 | |
| 580 | N | A | 0.0000 | |
| 581 | F | A | 0.0000 | |
| 582 | S | A | 0.0000 | |
| 583 | E | A | -0.1426 | |
| 584 | Y | A | 0.6800 | |
| 585 | P | A | -0.2782 | |
| 586 | Q | A | -0.5596 | |
| 587 | T | A | -0.9721 | |
| 588 | V | A | 0.0000 | |
| 589 | T | A | -1.9460 | |
| 590 | A | A | -2.3814 | |
| 591 | H | A | -2.1879 | |
| 592 | T | A | -1.7906 | |
| 593 | L | A | 0.0000 | |
| 594 | Q | A | -1.5860 | |
| 595 | A | A | -0.4724 | |
| 596 | M | A | -0.0102 | |
| 597 | P | A | 0.2787 | |
| 598 | F | A | 0.7861 | |
| 599 | K | A | -0.4738 | |
| 600 | A | A | 0.0000 | |
| 601 | H | A | -1.4029 | |
| 602 | D | A | 0.0000 | |
| 603 | L | A | -0.5011 | |
| 604 | I | A | -0.4762 | |
| 605 | G | A | -1.0033 | |
| 606 | G | A | -1.3917 | |
| 607 | K | A | -2.0947 | |
| 608 | T | A | -1.4586 | |
| 609 | V | A | -0.8791 | |
| 610 | S | A | -0.9769 | |
| 611 | L | A | 0.0000 | |
| 612 | N | A | -2.0067 | |
| 613 | Q | A | -2.7620 | |
| 614 | D | A | -2.8153 | |
| 615 | L | A | 0.0000 | |
| 616 | T | A | -1.0921 | |
| 617 | L | A | 0.0000 | |
| 618 | Q | A | -1.2070 | |
| 619 | P | A | -0.6209 | |
| 620 | Y | A | 0.0000 | |
| 621 | Q | A | -0.8943 | |
| 622 | V | A | 0.0000 | |
| 623 | M | A | 0.0000 | |
| 624 | W | A | 0.0000 | |
| 625 | L | A | 0.0000 | |
| 626 | E | A | -0.6247 | |
| 627 | I | A | -0.0634 | |
| 628 | A | A | -0.4253 |
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 | -0.3891 | 3.1376 | View | CSV | PDB |
| 4.5 | -0.452 | 3.1391 | View | CSV | PDB |
| 5.0 | -0.5261 | 3.1436 | View | CSV | PDB |
| 5.5 | -0.6026 | 3.157 | View | CSV | PDB |
| 6.0 | -0.6738 | 3.1916 | View | CSV | PDB |
| 6.5 | -0.734 | 3.2623 | View | CSV | PDB |
| 7.0 | -0.7817 | 3.3688 | View | CSV | PDB |
| 7.5 | -0.8195 | 3.4967 | View | CSV | PDB |
| 8.0 | -0.8498 | 3.6333 | View | CSV | PDB |
| 8.5 | -0.8711 | 3.7727 | View | CSV | PDB |
| 9.0 | -0.8803 | 3.9123 | 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