| Chain sequence(s) |
A: ASGAQVSKQNVGSHENSVSASGGSVIKYFNINYYKDSASSGLTKQDFSQDPSKFTQPIADVLTNPALMSPTVEACGFSDRLKQITIGNSTITTQDSLNTVVAYGEWPEYLSDLDATSVDKPTHPETSSDRFYTLESVTWHGSSRGWWWKIPDCLKDMGMFGQNMYHHSMGRSGMLIHVQCNATKFHSGCLLVVVVPEHQLAYIGAGGVNVKYEHTHPGERGHTLQASDVRSNHNPDEDPFYLCNGTLLGNALIFPHQMINLRTNNSATIVVPYINCVPMDNMLRHNNVSLLIIPIVPLRANTGAVNSLPITVTIAPDKSEFSGAMKSQQQGLPTRSPAGSQQFMTTEDEQSPNILPEYSPTKMIHIPGRIDNILHIAMVESLIPLNNIPGQVGTVGMYNVTIASKTADQEMILAIPLQMDNTLFATTLVGEILNYFSNWSGSIRVTCMCVCDSFSTGKFLMAYTPPGGGLPATRKEAMLGVHVVWDLGLQSSCTLVAPWMSSTFYRRTKGSNYTSGGYITLWYQTNFVATTTGGTGTIIATCSACPDLSVRMMRDTPMIKQPENNIQNPVDNFVDEVLKEVLVVPDTKPSGPTHTVKPTVLNAMEIGATPDATPESVIETRYVINNHTNNEALIENFLGRSSLWAELQMSEGFKKWDINFQEQAHIRKKIEMFTYIRFDMEVTIVTNNQGLMQIMYVPPGIEAPVSLNDKKWNGASNPSVFYQPKSGFPRFTIPFTGLGSAYYVFYDGYDENKVGSTTYGISATNDMGTLCFRALEDTAKQDVKVFIKPKHITAWCPRPPRAVDYTHRYSPNYHTNKGSTTELEEKHYINTRTTIKTALEHHHHHH
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:33)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e6713d420909c31/tmp/folded.pdb (00:16:33)
[INFO] Main: Simulation completed successfully. (00:28:37)
|
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 | A | A | -0.1685 | |
| 2 | S | A | -0.5562 | |
| 3 | G | A | -0.7653 | |
| 4 | A | A | -0.2702 | |
| 5 | Q | A | -0.8062 | |
| 6 | V | A | 0.0652 | |
| 7 | S | A | -0.7821 | |
| 8 | K | A | -1.2905 | |
| 9 | Q | A | -0.9867 | |
| 10 | N | A | -1.4547 | |
| 11 | V | A | -0.2826 | |
| 12 | G | A | -1.1060 | |
| 13 | S | A | -1.5570 | |
| 14 | H | A | -2.3748 | |
| 15 | E | A | -2.7303 | |
| 16 | N | A | -2.1177 | |
| 17 | S | A | -0.7105 | |
| 18 | V | A | 0.8424 | |
| 19 | S | A | 0.0456 | |
| 20 | A | A | 0.2888 | |
| 21 | S | A | -0.3847 | |
| 22 | G | A | -0.8276 | |
| 23 | G | A | -0.5601 | |
| 24 | S | A | -0.2807 | |
| 25 | V | A | 0.0572 | |
| 26 | I | A | 0.8948 | |
| 27 | K | A | -0.3483 | |
| 28 | Y | A | 1.2191 | |
| 29 | F | A | 1.7923 | |
| 30 | N | A | 0.4807 | |
| 31 | I | A | 1.3346 | |
| 32 | N | A | 0.0392 | |
| 33 | Y | A | 0.9718 | |
| 34 | Y | A | -0.1135 | |
| 35 | K | A | -1.8450 | |
| 36 | D | A | -1.4080 | |
| 37 | S | A | -0.9945 | |
| 38 | A | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | S | A | -0.5466 | |
| 41 | G | A | 0.0000 | |
| 42 | L | A | -0.8419 | |
| 43 | T | A | -1.0077 | |
| 44 | K | A | -2.1491 | |
| 45 | Q | A | -2.3523 | |
| 46 | D | A | -1.8946 | |
| 47 | F | A | -1.1277 | |
| 48 | S | A | -1.2337 | |
| 49 | Q | A | -1.5717 | |
| 50 | D | A | -2.0431 | |
| 51 | P | A | -1.4343 | |
| 52 | S | A | -1.4267 | |
| 53 | K | A | -2.1010 | |
| 54 | F | A | -0.2783 | |
| 55 | T | A | -0.7870 | |
| 56 | Q | A | -1.6933 | |
| 57 | P | A | -0.8513 | |
| 58 | I | A | -0.3741 | |
| 59 | A | A | -0.8212 | |
| 60 | D | A | -1.8453 | |
| 61 | V | A | -0.6895 | |
| 62 | L | A | 0.0000 | |
| 63 | T | A | -0.5298 | |
| 64 | N | A | -0.8720 | |
| 65 | P | A | -0.4963 | |
| 66 | A | A | -0.4870 | |
| 67 | L | A | 0.0000 | |
| 68 | M | A | -0.0303 | |
| 69 | S | A | 0.0000 | |
| 70 | P | A | -0.3466 | |
| 71 | T | A | -0.2358 | |
| 72 | V | A | 0.0000 | |
| 73 | E | A | -1.5897 | |
| 74 | A | A | -0.5581 | |
| 75 | C | A | -0.3934 | |
| 76 | G | A | -0.9685 | |
| 77 | F | A | -0.6039 | |
| 78 | S | A | -1.7981 | |
| 79 | D | A | -3.0878 | |
| 80 | R | A | -3.1381 | |
| 81 | L | A | 0.0000 | |
| 82 | K | A | -3.1747 | |
| 83 | Q | A | -2.5546 | |
| 84 | I | A | 0.0000 | |
| 85 | T | A | -1.1518 | |
| 86 | I | A | 0.0000 | |
| 87 | G | A | -1.5395 | |
| 88 | N | A | -1.6194 | |
| 89 | S | A | -0.9324 | |
| 90 | T | A | -0.6467 | |
| 91 | I | A | -0.4662 | |
| 92 | T | A | -1.0757 | |
| 93 | T | A | -1.2766 | |
| 94 | Q | A | -1.7596 | |
| 95 | D | A | -0.9405 | |
| 96 | S | A | -1.5241 | |
| 97 | L | A | -0.4010 | |
| 98 | N | A | 0.0718 | |
| 99 | T | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | A | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | G | A | -0.3142 | |
| 105 | E | A | -0.6329 | |
| 106 | W | A | -0.5269 | |
| 107 | P | A | 0.0000 | |
| 108 | E | A | -1.7826 | |
| 109 | Y | A | -0.8585 | |
| 110 | L | A | -0.5280 | |
| 111 | S | A | -0.6938 | |
| 112 | D | A | -1.0191 | |
| 113 | L | A | 0.2753 | |
| 114 | D | A | -0.3950 | |
| 115 | A | A | -0.2978 | |
| 116 | T | A | -0.4692 | |
| 117 | S | A | -0.6570 | |
| 118 | V | A | 0.0376 | |
| 119 | D | A | -1.8317 | |
| 120 | K | A | -2.4605 | |
| 121 | P | A | -1.2267 | |
| 122 | T | A | -1.2081 | |
| 123 | H | A | -1.3483 | |
| 124 | P | A | -1.2244 | |
| 125 | E | A | -2.3857 | |
| 126 | T | A | -1.6929 | |
| 127 | S | A | -1.1626 | |
| 128 | S | A | 0.0000 | |
| 129 | D | A | 0.0000 | |
| 130 | R | A | -1.5009 | |
| 131 | F | A | 0.0000 | |
| 132 | Y | A | 0.0000 | |
| 133 | T | A | -0.6717 | |
| 134 | L | A | 0.0000 | |
| 135 | E | A | -2.5840 | |
| 136 | S | A | -1.4428 | |
| 137 | V | A | -0.7760 | |
| 138 | T | A | -0.2638 | |
| 139 | W | A | 0.0000 | |
| 140 | H | A | -1.2376 | |
| 141 | G | A | -1.3491 | |
| 142 | S | A | -1.0326 | |
| 143 | S | A | -1.1052 | |
| 144 | R | A | -1.3227 | |
| 145 | G | A | 0.0000 | |
| 146 | W | A | 0.0000 | |
| 147 | W | A | 0.0000 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | D | A | 0.0000 | |
| 153 | C | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | K | A | -1.1500 | |
| 156 | D | A | -2.0665 | |
| 157 | M | A | -1.1728 | |
| 158 | G | A | -0.8999 | |
| 159 | M | A | -0.4545 | |
| 160 | F | A | 0.0000 | |
| 161 | G | A | 0.0000 | |
| 162 | Q | A | -1.1426 | |
| 163 | N | A | 0.0000 | |
| 164 | M | A | 0.0000 | |
| 165 | Y | A | 0.2049 | |
| 166 | H | A | -0.7867 | |
| 167 | H | A | -0.6053 | |
| 168 | S | A | -0.2641 | |
| 169 | M | A | -0.1312 | |
| 170 | G | A | 0.0000 | |
| 171 | R | A | -0.1745 | |
| 172 | S | A | 0.0000 | |
| 173 | G | A | 0.0000 | |
| 174 | M | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | H | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | Q | A | -1.0320 | |
| 180 | C | A | 0.0000 | |
| 181 | N | A | -1.8779 | |
| 182 | A | A | -0.9338 | |
| 183 | T | A | -0.6615 | |
| 184 | K | A | -1.0679 | |
| 185 | F | A | 0.5915 | |
| 186 | H | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | G | A | 0.0000 | |
| 189 | C | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | V | A | 0.0000 | |
| 193 | V | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | P | A | 0.0000 | |
| 197 | E | A | 0.0000 | |
| 198 | H | A | 0.0000 | |
| 199 | Q | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | Y | A | 0.0000 | |
| 203 | I | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | A | A | -0.8812 | |
| 206 | G | A | -0.4495 | |
| 207 | G | A | -0.7629 | |
| 208 | V | A | -0.2981 | |
| 209 | N | A | -0.4198 | |
| 210 | V | A | 0.0000 | |
| 211 | K | A | -0.6166 | |
| 212 | Y | A | -0.6231 | |
| 213 | E | A | -0.4982 | |
| 214 | H | A | -0.4179 | |
| 215 | T | A | 0.0000 | |
| 216 | H | A | 0.0000 | |
| 217 | P | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | E | A | -2.5456 | |
| 220 | R | A | -2.7797 | |
| 221 | G | A | 0.0000 | |
| 222 | H | A | -0.8714 | |
| 223 | T | A | -0.8019 | |
| 224 | L | A | 0.0000 | |
| 225 | Q | A | -1.6877 | |
| 226 | A | A | -0.8941 | |
| 227 | S | A | -0.8156 | |
| 228 | D | A | -1.2597 | |
| 229 | V | A | 0.4243 | |
| 230 | R | A | -0.4504 | |
| 231 | S | A | -0.5660 | |
| 232 | N | A | -0.7914 | |
| 233 | H | A | -0.7378 | |
| 234 | N | A | -0.6316 | |
| 235 | P | A | 0.0000 | |
| 236 | D | A | 0.0000 | |
| 237 | E | A | 0.0000 | |
| 238 | D | A | -0.6312 | |
| 239 | P | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | Y | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | C | A | 0.0000 | |
| 244 | N | A | 0.0000 | |
| 245 | G | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | G | A | 0.0000 | |
| 250 | N | A | 0.0000 | |
| 251 | A | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | P | A | 0.0000 | |
| 256 | H | A | 0.0000 | |
| 257 | Q | A | 0.0000 | |
| 258 | M | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | N | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | R | A | -0.4306 | |
| 263 | T | A | -0.1869 | |
| 264 | N | A | -0.6779 | |
| 265 | N | A | -1.4719 | |
| 266 | S | A | -1.0682 | |
| 267 | A | A | 0.0000 | |
| 268 | T | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | P | A | 0.0000 | |
| 273 | Y | A | -0.2592 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | 0.0000 | |
| 276 | C | A | 0.0000 | |
| 277 | V | A | 0.3421 | |
| 278 | P | A | 0.0000 | |
| 279 | M | A | 0.0000 | |
| 280 | D | A | 0.0000 | |
| 281 | N | A | -0.4077 | |
| 282 | M | A | 0.0000 | |
| 283 | L | A | -0.5113 | |
| 284 | R | A | -1.5772 | |
| 285 | H | A | 0.0000 | |
| 286 | N | A | 0.0000 | |
| 287 | N | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | S | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | L | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | I | A | 0.0000 | |
| 294 | P | A | 0.0000 | |
| 295 | I | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | P | A | -0.6302 | |
| 298 | L | A | 0.0000 | |
| 299 | R | A | -0.6125 | |
| 300 | A | A | -0.2989 | |
| 301 | N | A | -0.2367 | |
| 302 | T | A | -0.1541 | |
| 303 | G | A | -0.1433 | |
| 304 | A | A | 0.2643 | |
| 305 | V | A | 1.0241 | |
| 306 | N | A | -0.8635 | |
| 307 | S | A | -0.5681 | |
| 308 | L | A | 0.0000 | |
| 309 | P | A | -0.8402 | |
| 310 | I | A | 0.0000 | |
| 311 | T | A | -0.7969 | |
| 312 | V | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | I | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | P | A | 0.0000 | |
| 317 | D | A | -1.2039 | |
| 318 | K | A | -1.5927 | |
| 319 | S | A | 0.0000 | |
| 320 | E | A | 0.0000 | |
| 321 | F | A | 0.0000 | |
| 322 | S | A | 0.0000 | |
| 323 | G | A | -1.3057 | |
| 324 | A | A | -0.8072 | |
| 325 | M | A | -0.9586 | |
| 326 | K | A | -2.0222 | |
| 327 | S | A | -2.0243 | |
| 328 | Q | A | -2.6881 | |
| 329 | Q | A | -2.6569 | |
| 330 | Q | A | -2.1698 | |
| 331 | G | A | -1.1428 | |
| 332 | L | A | -0.3478 | |
| 333 | P | A | -0.8180 | |
| 334 | T | A | -1.2647 | |
| 335 | R | A | -2.3346 | |
| 336 | S | A | -1.0946 | |
| 337 | P | A | -0.6665 | |
| 338 | A | A | -0.2438 | |
| 339 | G | A | -0.9793 | |
| 340 | S | A | -1.2401 | |
| 341 | Q | A | -1.9929 | |
| 342 | Q | A | -1.3828 | |
| 343 | F | A | 0.0091 | |
| 344 | M | A | 0.4778 | |
| 345 | T | A | 0.3343 | |
| 346 | T | A | -0.4016 | |
| 347 | E | A | -0.9118 | |
| 348 | D | A | -1.5355 | |
| 349 | E | A | -1.5738 | |
| 350 | Q | A | -0.7531 | |
| 351 | S | A | 0.0000 | |
| 352 | P | A | 0.0000 | |
| 353 | N | A | 0.0000 | |
| 354 | I | A | 0.0000 | |
| 355 | L | A | -0.6575 | |
| 356 | P | A | 0.0000 | |
| 357 | E | A | -2.3428 | |
| 358 | Y | A | -0.8575 | |
| 359 | S | A | -0.9928 | |
| 360 | P | A | -0.4945 | |
| 361 | T | A | -0.3831 | |
| 362 | K | A | -1.2907 | |
| 363 | M | A | -0.5636 | |
| 364 | I | A | 0.0000 | |
| 365 | H | A | -1.1081 | |
| 366 | I | A | 0.0000 | |
| 367 | P | A | 0.0000 | |
| 368 | G | A | 0.0000 | |
| 369 | R | A | -2.1344 | |
| 370 | I | A | 0.0000 | |
| 371 | D | A | -1.4664 | |
| 372 | N | A | 0.0000 | |
| 373 | I | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | H | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | M | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | E | A | 0.0000 | |
| 381 | S | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | N | A | -0.1454 | |
| 387 | N | A | 0.0000 | |
| 388 | I | A | 0.0766 | |
| 389 | P | A | -0.2776 | |
| 390 | G | A | -0.5232 | |
| 391 | Q | A | -0.3200 | |
| 392 | V | A | 0.1296 | |
| 393 | G | A | -0.1113 | |
| 394 | T | A | -0.0900 | |
| 395 | V | A | -0.0240 | |
| 396 | G | A | -0.1359 | |
| 397 | M | A | 0.0000 | |
| 398 | Y | A | 0.0000 | |
| 399 | N | A | -0.2404 | |
| 400 | V | A | 0.0000 | |
| 401 | T | A | -0.1385 | |
| 402 | I | A | 0.0000 | |
| 403 | A | A | -0.5338 | |
| 404 | S | A | -0.9159 | |
| 405 | K | A | -2.1217 | |
| 406 | T | A | -1.7165 | |
| 407 | A | A | -1.9146 | |
| 408 | D | A | -3.0876 | |
| 409 | Q | A | -2.7966 | |
| 410 | E | A | -1.9786 | |
| 411 | M | A | -0.9380 | |
| 412 | I | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | A | A | 0.0000 | |
| 415 | I | A | 0.0000 | |
| 416 | P | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | Q | A | -0.8174 | |
| 419 | M | A | 0.0000 | |
| 420 | D | A | -1.1677 | |
| 421 | N | A | 0.0000 | |
| 422 | T | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | F | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | T | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | E | A | 0.0000 | |
| 432 | I | A | 0.0000 | |
| 433 | L | A | 0.0000 | |
| 434 | N | A | 0.0000 | |
| 435 | Y | A | 0.0000 | |
| 436 | F | A | 0.0000 | |
| 437 | S | A | -0.9717 | |
| 438 | N | A | 0.0000 | |
| 439 | W | A | 0.0000 | |
| 440 | S | A | 0.0000 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | I | A | 0.0000 | |
| 444 | R | A | 0.0000 | |
| 445 | V | A | 0.0000 | |
| 446 | T | A | 0.0000 | |
| 447 | C | A | 0.0000 | |
| 448 | M | A | 0.0000 | |
| 449 | C | A | 0.0000 | |
| 450 | V | A | 0.0000 | |
| 451 | C | A | 0.0000 | |
| 452 | D | A | 0.0000 | |
| 453 | S | A | 0.1843 | |
| 454 | F | A | 1.3523 | |
| 455 | S | A | 0.0000 | |
| 456 | T | A | 0.2746 | |
| 457 | G | A | 0.0000 | |
| 458 | K | A | -0.6526 | |
| 459 | F | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | M | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | Y | A | 0.0000 | |
| 464 | T | A | 0.0000 | |
| 465 | P | A | -0.0644 | |
| 466 | P | A | -0.3474 | |
| 467 | G | A | -0.6957 | |
| 468 | G | A | -0.6494 | |
| 469 | G | A | -0.4399 | |
| 470 | L | A | 0.1085 | |
| 471 | P | A | 0.0000 | |
| 472 | A | A | -0.4198 | |
| 473 | T | A | -1.1856 | |
| 474 | R | A | -1.7014 | |
| 475 | K | A | -1.9337 | |
| 476 | E | A | -1.2031 | |
| 477 | A | A | 0.0000 | |
| 478 | M | A | -0.0293 | |
| 479 | L | A | 0.8155 | |
| 480 | G | A | 0.1056 | |
| 481 | V | A | 0.0000 | |
| 482 | H | A | -0.0129 | |
| 483 | V | A | 0.0000 | |
| 484 | V | A | 0.0000 | |
| 485 | W | A | 0.0000 | |
| 486 | D | A | -0.5107 | |
| 487 | L | A | 0.0000 | |
| 488 | G | A | -0.3517 | |
| 489 | L | A | -0.0130 | |
| 490 | Q | A | -0.1012 | |
| 491 | S | A | 0.0000 | |
| 492 | S | A | 0.0000 | |
| 493 | C | A | 0.0000 | |
| 494 | T | A | -0.2093 | |
| 495 | L | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | P | A | 0.0000 | |
| 499 | W | A | 0.0000 | |
| 500 | M | A | 0.1115 | |
| 501 | S | A | 0.3000 | |
| 502 | S | A | 0.8089 | |
| 503 | T | A | 0.5256 | |
| 504 | F | A | 0.7527 | |
| 505 | Y | A | 0.0000 | |
| 506 | R | A | 0.0000 | |
| 507 | R | A | -1.9535 | |
| 508 | T | A | 0.0000 | |
| 509 | K | A | -2.2274 | |
| 510 | G | A | -1.7488 | |
| 511 | S | A | -1.1770 | |
| 512 | N | A | -0.8756 | |
| 513 | Y | A | 0.2996 | |
| 514 | T | A | 0.0000 | |
| 515 | S | A | -0.6559 | |
| 516 | G | A | 0.0000 | |
| 517 | G | A | 0.0000 | |
| 518 | Y | A | 0.1278 | |
| 519 | I | A | 0.0000 | |
| 520 | T | A | 0.0000 | |
| 521 | L | A | 0.0000 | |
| 522 | W | A | 0.0000 | |
| 523 | Y | A | 0.0000 | |
| 524 | Q | A | -1.4169 | |
| 525 | T | A | -1.5271 | |
| 526 | N | A | -1.9538 | |
| 527 | F | A | 0.0000 | |
| 528 | V | A | 0.3505 | |
| 529 | A | A | 0.2219 | |
| 530 | T | A | 0.4985 | |
| 531 | T | A | 0.1672 | |
| 532 | T | A | -0.4582 | |
| 533 | G | A | -0.7204 | |
| 534 | G | A | -0.4588 | |
| 535 | T | A | -0.1514 | |
| 536 | G | A | 0.0000 | |
| 537 | T | A | 0.0000 | |
| 538 | I | A | 0.0000 | |
| 539 | I | A | 0.0000 | |
| 540 | A | A | 0.0000 | |
| 541 | T | A | 0.0000 | |
| 542 | C | A | 0.0000 | |
| 543 | S | A | 0.0000 | |
| 544 | A | A | 0.0000 | |
| 545 | C | A | 0.0000 | |
| 546 | P | A | -0.3968 | |
| 547 | D | A | -0.2972 | |
| 548 | L | A | 0.0000 | |
| 549 | S | A | 0.0000 | |
| 550 | V | A | 0.0000 | |
| 551 | R | A | -0.8029 | |
| 552 | M | A | 0.0357 | |
| 553 | M | A | 0.0000 | |
| 554 | R | A | -1.2339 | |
| 555 | D | A | -2.0167 | |
| 556 | T | A | 0.0000 | |
| 557 | P | A | -0.8341 | |
| 558 | M | A | 0.0000 | |
| 559 | I | A | 0.0000 | |
| 560 | K | A | -2.0958 | |
| 561 | Q | A | -2.0440 | |
| 562 | P | A | -2.0473 | |
| 563 | E | A | -2.7586 | |
| 564 | N | A | -2.6978 | |
| 565 | N | A | -2.5371 | |
| 566 | I | A | -1.4658 | |
| 567 | Q | A | -1.9305 | |
| 568 | N | A | -1.7406 | |
| 569 | P | A | -0.8646 | |
| 570 | V | A | -0.1711 | |
| 571 | D | A | -1.9264 | |
| 572 | N | A | -1.0426 | |
| 573 | F | A | 0.7568 | |
| 574 | V | A | -0.1058 | |
| 575 | D | A | -1.9978 | |
| 576 | E | A | -1.5795 | |
| 577 | V | A | 0.1241 | |
| 578 | L | A | -0.9242 | |
| 579 | K | A | -2.0667 | |
| 580 | E | A | -1.3066 | |
| 581 | V | A | 1.2487 | |
| 582 | L | A | 1.7627 | |
| 583 | V | A | 2.3940 | |
| 584 | V | A | 0.9456 | |
| 585 | P | A | -0.7380 | |
| 586 | D | A | -2.1859 | |
| 587 | T | A | -1.7812 | |
| 588 | K | A | -1.8972 | |
| 589 | P | A | -0.9365 | |
| 590 | S | A | -0.7891 | |
| 591 | G | A | -0.6592 | |
| 592 | P | A | -0.6996 | |
| 593 | T | A | -0.3657 | |
| 594 | H | A | -0.5599 | |
| 595 | T | A | -0.0644 | |
| 596 | V | A | 0.7001 | |
| 597 | K | A | -0.8128 | |
| 598 | P | A | -0.2976 | |
| 599 | T | A | 0.4722 | |
| 600 | V | A | 1.4406 | |
| 601 | L | A | 0.0000 | |
| 602 | N | A | 0.0000 | |
| 603 | A | A | -0.0311 | |
| 604 | M | A | 0.0000 | |
| 605 | E | A | 0.0000 | |
| 606 | I | A | 0.2630 | |
| 607 | G | A | 0.0000 | |
| 608 | A | A | -0.1847 | |
| 609 | T | A | -0.4198 | |
| 610 | P | A | -0.8737 | |
| 611 | D | A | -1.8337 | |
| 612 | A | A | -1.1969 | |
| 613 | T | A | -1.1870 | |
| 614 | P | A | -1.2956 | |
| 615 | E | A | -2.4894 | |
| 616 | S | A | -1.5977 | |
| 617 | V | A | -0.9406 | |
| 618 | I | A | 0.0000 | |
| 619 | E | A | -3.0416 | |
| 620 | T | A | -2.4034 | |
| 621 | R | A | -1.9322 | |
| 622 | Y | A | 0.3563 | |
| 623 | V | A | 1.0950 | |
| 624 | I | A | 1.0525 | |
| 625 | N | A | 0.0704 | |
| 626 | N | A | -0.9424 | |
| 627 | H | A | -0.7263 | |
| 628 | T | A | -0.7948 | |
| 629 | N | A | 0.0000 | |
| 630 | N | A | -1.1310 | |
| 631 | E | A | -0.6994 | |
| 632 | A | A | 0.0000 | |
| 633 | L | A | -0.6873 | |
| 634 | I | A | 0.0000 | |
| 635 | E | A | 0.0000 | |
| 636 | N | A | -0.6322 | |
| 637 | F | A | 0.0000 | |
| 638 | L | A | 0.0000 | |
| 639 | G | A | 0.0000 | |
| 640 | R | A | -0.5851 | |
| 641 | S | A | 0.0000 | |
| 642 | S | A | -0.2884 | |
| 643 | L | A | 0.0000 | |
| 644 | W | A | 0.0000 | |
| 645 | A | A | 0.0000 | |
| 646 | E | A | -1.2203 | |
| 647 | L | A | 0.0000 | |
| 648 | Q | A | -2.3858 | |
| 649 | M | A | 0.0000 | |
| 650 | S | A | -1.7321 | |
| 651 | E | A | -2.1802 | |
| 652 | G | A | 0.0000 | |
| 653 | F | A | -0.9393 | |
| 654 | K | A | -1.2791 | |
| 655 | K | A | -1.3374 | |
| 656 | W | A | 0.0000 | |
| 657 | D | A | -1.9885 | |
| 658 | I | A | 0.0000 | |
| 659 | N | A | 0.0000 | |
| 660 | F | A | 0.0000 | |
| 661 | Q | A | 0.0000 | |
| 662 | E | A | -0.9152 | |
| 663 | Q | A | -0.8872 | |
| 664 | A | A | 0.0000 | |
| 665 | H | A | -0.9820 | |
| 666 | I | A | 0.0000 | |
| 667 | R | A | 0.0000 | |
| 668 | K | A | 0.0000 | |
| 669 | K | A | -0.4294 | |
| 670 | I | A | 0.0000 | |
| 671 | E | A | 0.0000 | |
| 672 | M | A | 0.0000 | |
| 673 | F | A | 0.0000 | |
| 674 | T | A | 0.0000 | |
| 675 | Y | A | 0.0000 | |
| 676 | I | A | 0.0000 | |
| 677 | R | A | -0.1126 | |
| 678 | F | A | 0.0000 | |
| 679 | D | A | 0.0000 | |
| 680 | M | A | 0.0000 | |
| 681 | E | A | 0.0000 | |
| 682 | V | A | 0.0000 | |
| 683 | T | A | 0.0000 | |
| 684 | I | A | 0.0000 | |
| 685 | V | A | 0.0552 | |
| 686 | T | A | -1.2724 | |
| 687 | N | A | -2.1266 | |
| 688 | N | A | 0.0000 | |
| 689 | Q | A | -2.6295 | |
| 690 | G | A | 0.0000 | |
| 691 | L | A | -0.4055 | |
| 692 | M | A | 0.0000 | |
| 693 | Q | A | 0.0000 | |
| 694 | I | A | 0.0000 | |
| 695 | M | A | 0.0000 | |
| 696 | Y | A | 0.0000 | |
| 697 | V | A | 0.0000 | |
| 698 | P | A | -0.2404 | |
| 699 | P | A | -0.4684 | |
| 700 | G | A | -0.4517 | |
| 701 | I | A | 0.1212 | |
| 702 | E | A | -1.1924 | |
| 703 | A | A | -0.7365 | |
| 704 | P | A | 0.0000 | |
| 705 | V | A | 0.7281 | |
| 706 | S | A | -0.4407 | |
| 707 | L | A | -0.7632 | |
| 708 | N | A | -1.6465 | |
| 709 | D | A | -1.6811 | |
| 710 | K | A | -2.7334 | |
| 711 | K | A | -2.4169 | |
| 712 | W | A | 0.0000 | |
| 713 | N | A | -2.4221 | |
| 714 | G | A | -1.6369 | |
| 715 | A | A | -0.6655 | |
| 716 | S | A | -0.7532 | |
| 717 | N | A | -0.4506 | |
| 718 | P | A | 0.0000 | |
| 719 | S | A | 0.2112 | |
| 720 | V | A | 0.8979 | |
| 721 | F | A | 1.4221 | |
| 722 | Y | A | 0.2320 | |
| 723 | Q | A | -1.2828 | |
| 724 | P | A | -1.8749 | |
| 725 | K | A | -2.3865 | |
| 726 | S | A | -1.7798 | |
| 727 | G | A | -1.4544 | |
| 728 | F | A | -0.3528 | |
| 729 | P | A | 0.0778 | |
| 730 | R | A | 0.0000 | |
| 731 | F | A | 0.0000 | |
| 732 | T | A | 0.0000 | |
| 733 | I | A | 0.0000 | |
| 734 | P | A | 0.0000 | |
| 735 | F | A | 0.0000 | |
| 736 | T | A | 0.0000 | |
| 737 | G | A | 0.0000 | |
| 738 | L | A | 1.1714 | |
| 739 | G | A | 0.0000 | |
| 740 | S | A | 0.0000 | |
| 741 | A | A | 0.0000 | |
| 742 | Y | A | 0.0000 | |
| 743 | Y | A | 0.0000 | |
| 744 | V | A | 0.0000 | |
| 745 | F | A | 0.0000 | |
| 746 | Y | A | 0.0000 | |
| 747 | D | A | 0.0000 | |
| 748 | G | A | 0.0000 | |
| 749 | Y | A | 0.0000 | |
| 750 | D | A | -2.1524 | |
| 751 | E | A | -2.2357 | |
| 752 | N | A | -2.4220 | |
| 753 | K | A | -1.9638 | |
| 754 | V | A | 0.3256 | |
| 755 | G | A | -0.3218 | |
| 756 | S | A | -0.8523 | |
| 757 | T | A | -0.5370 | |
| 758 | T | A | -0.4924 | |
| 759 | Y | A | 0.0000 | |
| 760 | G | A | 0.0000 | |
| 761 | I | A | 0.5098 | |
| 762 | S | A | 0.0000 | |
| 763 | A | A | -0.1370 | |
| 764 | T | A | 0.4021 | |
| 765 | N | A | -0.1032 | |
| 766 | D | A | -0.9624 | |
| 767 | M | A | 0.0000 | |
| 768 | G | A | 0.0000 | |
| 769 | T | A | -1.1833 | |
| 770 | L | A | 0.0000 | |
| 771 | C | A | 0.0000 | |
| 772 | F | A | 0.0000 | |
| 773 | R | A | -0.6705 | |
| 774 | A | A | 0.0000 | |
| 775 | L | A | -0.1620 | |
| 776 | E | A | -1.6944 | |
| 777 | D | A | -1.9935 | |
| 778 | T | A | -1.6622 | |
| 779 | A | A | -1.7354 | |
| 780 | K | A | -2.5752 | |
| 781 | Q | A | -2.7146 | |
| 782 | D | A | -2.2347 | |
| 783 | V | A | 0.0000 | |
| 784 | K | A | -0.9428 | |
| 785 | V | A | 0.0000 | |
| 786 | F | A | 0.0465 | |
| 787 | I | A | 0.0000 | |
| 788 | K | A | 0.0000 | |
| 789 | P | A | 0.0000 | |
| 790 | K | A | 0.0000 | |
| 791 | H | A | -0.2965 | |
| 792 | I | A | -0.1213 | |
| 793 | T | A | -0.5200 | |
| 794 | A | A | 0.0000 | |
| 795 | W | A | 0.0000 | |
| 796 | C | A | 0.0000 | |
| 797 | P | A | 0.0000 | |
| 798 | R | A | 0.0000 | |
| 799 | P | A | 0.0000 | |
| 800 | P | A | 0.0000 | |
| 801 | R | A | 0.0000 | |
| 802 | A | A | -0.1822 | |
| 803 | V | A | 0.0000 | |
| 804 | D | A | 0.0000 | |
| 805 | Y | A | 0.0000 | |
| 806 | T | A | -1.0718 | |
| 807 | H | A | -1.3121 | |
| 808 | R | A | -1.9452 | |
| 809 | Y | A | -0.4462 | |
| 810 | S | A | 0.0000 | |
| 811 | P | A | 0.0000 | |
| 812 | N | A | 0.0000 | |
| 813 | Y | A | 0.0000 | |
| 814 | H | A | 0.0000 | |
| 815 | T | A | -1.6844 | |
| 816 | N | A | -2.3239 | |
| 817 | K | A | -2.7079 | |
| 818 | G | A | -1.7422 | |
| 819 | S | A | -1.1755 | |
| 820 | T | A | -1.3944 | |
| 821 | T | A | -1.6122 | |
| 822 | E | A | -2.6940 | |
| 823 | L | A | -2.0467 | |
| 824 | E | A | -2.7389 | |
| 825 | E | A | -1.8528 | |
| 826 | K | A | -2.0344 | |
| 827 | H | A | -0.9536 | |
| 828 | Y | A | -0.5918 | |
| 829 | I | A | 0.0000 | |
| 830 | N | A | -1.1337 | |
| 831 | T | A | 0.0000 | |
| 832 | R | A | 0.0000 | |
| 833 | T | A | -0.0311 | |
| 834 | T | A | 0.0570 | |
| 835 | I | A | 0.1305 | |
| 836 | K | A | -0.3746 | |
| 837 | T | A | 0.1942 | |
| 838 | A | A | 0.6278 | |
| 839 | L | A | 0.9883 | |
| 840 | E | A | -0.4266 | |
| 841 | H | A | -1.6663 | |
| 842 | H | A | -2.3042 | |
| 843 | H | A | -2.7112 | |
| 844 | H | A | -2.6717 | |
| 845 | H | A | -2.5554 | |
| 846 | H | A | -1.9086 |
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 | -0.3824 | 4.4083 | View | CSV | PDB |
| 4.5 | -0.4263 | 4.1549 | View | CSV | PDB |
| 5.0 | -0.4772 | 3.9053 | View | CSV | PDB |
| 5.5 | -0.5246 | 3.9684 | View | CSV | PDB |
| 6.0 | -0.558 | 4.0737 | View | CSV | PDB |
| 6.5 | -0.5719 | 4.2096 | View | CSV | PDB |
| 7.0 | -0.5689 | 4.3601 | View | CSV | PDB |
| 7.5 | -0.5563 | 4.516 | View | CSV | PDB |
| 8.0 | -0.5387 | 4.6731 | View | CSV | PDB |
| 8.5 | -0.5162 | 4.8288 | View | CSV | PDB |
| 9.0 | -0.4875 | 4.9788 | 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