| Chain sequence(s) |
A: MDSRTKGKTVMEVGGDGVAVITLINPPVNSLSFDVLYNLKSNYEEALSRNDVKAIVITGAKGRFSGGFDISGFGEMQKGNVKEPKAGYISIDIITDLLEAARKPSVAAIDGLALGGGLELAMACHARISAPAAQLGLPELQLGVIPGFGGTQRLPRLVGLTKALEMILTSKPVKAEEGHSLGLIDAVVPPAELVTTARRWALDIVGRRKPWVSSVSKTDKLPPLGEAREILTFAKAQTLKRAPNMKHPLMCLDAIEVGIVSGPRAGLEKEAEVASQVVKLDTTKGLIHVFFSQRGTAKVPGVTDRGLVPRKIKKVAIIGGGLMGSGIATALILSNYPVILKEVNEKFLEAGIGRVKANLQSRVRKGSMSQEKFEKTMSLLKGSLDYESFRDVDMVIEAVIENISLKQQIFADLEKYCPQHCILASNTSTIDLNKIGERTKSQDRIVGAHFFSPAHIMPLLEIVRTNHTSAQVIVDLLDVGKKIKKTPVVVGNCTGFAVNRMFFPYTQAAMFLVECGADPYLIDRAISKFGMPMGPFRLCDLVGFGVAIATATQFIENFSERTYKSMIIPLMQEDKRAGEATRKGFYLYDDKRKAKPDPELKKYIEKARSISGVKLDPKLANLSEKDIIEMTFFPVVNEACRVFAEGIAVKAADLDIAGIMGMGFPPYRGGIMFWADSIGSKYIYSRLDEWSKAYGEFFKPCAFLAERGSKGVLLSAPVKQASSRL
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/60b522a416c15ec/tmp/folded.pdb (00:11:36)
[INFO] Main: Simulation completed successfully. (00:14:58)
|
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 | -0.2000 | |
| 2 | D | A | -1.9023 | |
| 3 | S | A | -1.9578 | |
| 4 | R | A | -2.7945 | |
| 5 | T | A | -2.1728 | |
| 6 | K | A | -2.7330 | |
| 7 | G | A | 0.0000 | |
| 8 | K | A | -1.2113 | |
| 9 | T | A | 0.0000 | |
| 10 | V | A | 0.2478 | |
| 11 | M | A | -0.4445 | |
| 12 | E | A | -1.3996 | |
| 13 | V | A | -1.1166 | |
| 14 | G | A | -1.0736 | |
| 15 | G | A | -1.3312 | |
| 16 | D | A | -1.9654 | |
| 17 | G | A | -2.0060 | |
| 18 | V | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | V | A | 0.0000 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -0.0130 | |
| 23 | L | A | 0.0000 | |
| 24 | I | A | -0.2198 | |
| 25 | N | A | 0.0000 | |
| 26 | P | A | -0.5095 | |
| 27 | P | A | -0.3875 | |
| 28 | V | A | -0.1238 | |
| 29 | N | A | 0.0000 | |
| 30 | S | A | -0.0585 | |
| 31 | L | A | 0.0000 | |
| 32 | S | A | -0.7286 | |
| 33 | F | A | -0.5232 | |
| 34 | D | A | -1.7210 | |
| 35 | V | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | Y | A | -0.2152 | |
| 38 | N | A | -0.8759 | |
| 39 | L | A | 0.0000 | |
| 40 | K | A | -1.3886 | |
| 41 | S | A | -1.2756 | |
| 42 | N | A | -1.3638 | |
| 43 | Y | A | 0.0000 | |
| 44 | E | A | -2.5514 | |
| 45 | E | A | -2.4762 | |
| 46 | A | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | S | A | -1.9053 | |
| 49 | R | A | -2.5944 | |
| 50 | N | A | -2.6062 | |
| 51 | D | A | -2.6752 | |
| 52 | V | A | 0.0000 | |
| 53 | K | A | -2.5993 | |
| 54 | A | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | V | A | 0.0000 | |
| 57 | I | A | 0.0000 | |
| 58 | T | A | 0.0000 | |
| 59 | G | A | -0.6236 | |
| 60 | A | A | -0.9526 | |
| 61 | K | A | -2.0907 | |
| 62 | G | A | -1.6577 | |
| 63 | R | A | -1.3888 | |
| 64 | F | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | G | A | -0.0465 | |
| 67 | G | A | 0.0000 | |
| 68 | F | A | 0.1127 | |
| 69 | D | A | -0.1347 | |
| 70 | I | A | 0.1757 | |
| 71 | S | A | -0.1948 | |
| 72 | G | A | -0.7137 | |
| 73 | F | A | -0.6798 | |
| 74 | G | A | -1.0269 | |
| 75 | E | A | -1.8846 | |
| 76 | M | A | -2.0247 | |
| 77 | Q | A | -2.3817 | |
| 78 | K | A | -2.7459 | |
| 79 | G | A | -2.4212 | |
| 80 | N | A | -2.4125 | |
| 81 | V | A | -1.5547 | |
| 82 | K | A | -2.7011 | |
| 83 | E | A | -2.2708 | |
| 84 | P | A | -1.5374 | |
| 85 | K | A | -2.1250 | |
| 86 | A | A | -1.5625 | |
| 87 | G | A | -1.1581 | |
| 88 | Y | A | -0.7693 | |
| 89 | I | A | 0.0000 | |
| 90 | S | A | 0.0000 | |
| 91 | I | A | -1.1498 | |
| 92 | D | A | -1.7373 | |
| 93 | I | A | 0.0000 | |
| 94 | I | A | 0.0000 | |
| 95 | T | A | 0.0000 | |
| 96 | D | A | -1.4376 | |
| 97 | L | A | -1.3108 | |
| 98 | L | A | 0.0000 | |
| 99 | E | A | 0.0000 | |
| 100 | A | A | -0.6585 | |
| 101 | A | A | 0.0000 | |
| 102 | R | A | -2.0828 | |
| 103 | K | A | -1.2833 | |
| 104 | P | A | 0.0000 | |
| 105 | S | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | I | A | 0.0000 | |
| 110 | D | A | -0.9283 | |
| 111 | G | A | -0.9127 | |
| 112 | L | A | -0.3017 | |
| 113 | A | A | 0.0000 | |
| 114 | L | A | 0.0050 | |
| 115 | G | A | 0.0000 | |
| 116 | G | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | 0.0000 | |
| 120 | L | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | M | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | C | A | 0.0000 | |
| 125 | H | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | R | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | P | A | -0.8248 | |
| 132 | A | A | -0.6489 | |
| 133 | A | A | 0.0000 | |
| 134 | Q | A | -1.3531 | |
| 135 | L | A | 0.0000 | |
| 136 | G | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | P | A | -0.8045 | |
| 139 | E | A | -0.4909 | |
| 140 | L | A | 0.0000 | |
| 141 | Q | A | -1.1242 | |
| 142 | L | A | -0.4764 | |
| 143 | G | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | P | A | 0.0000 | |
| 147 | G | A | -0.1195 | |
| 148 | F | A | 0.2508 | |
| 149 | G | A | 0.0000 | |
| 150 | G | A | 0.0000 | |
| 151 | T | A | 0.0000 | |
| 152 | Q | A | 0.0000 | |
| 153 | R | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | P | A | 0.0000 | |
| 156 | R | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | G | A | -0.6872 | |
| 160 | L | A | 0.0000 | |
| 161 | T | A | -0.7610 | |
| 162 | K | A | -1.0923 | |
| 163 | A | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | E | A | -2.2548 | |
| 166 | M | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | L | A | -0.9001 | |
| 169 | T | A | -1.3059 | |
| 170 | S | A | -1.4589 | |
| 171 | K | A | -2.0929 | |
| 172 | P | A | -1.5608 | |
| 173 | V | A | 0.0000 | |
| 174 | K | A | -2.3565 | |
| 175 | A | A | 0.0000 | |
| 176 | E | A | -2.5325 | |
| 177 | E | A | -2.2541 | |
| 178 | G | A | 0.0000 | |
| 179 | H | A | -1.8323 | |
| 180 | S | A | -1.2000 | |
| 181 | L | A | -0.7771 | |
| 182 | G | A | -0.8712 | |
| 183 | L | A | 0.0000 | |
| 184 | I | A | 0.0000 | |
| 185 | D | A | -0.7116 | |
| 186 | A | A | -0.3981 | |
| 187 | V | A | -0.2025 | |
| 188 | V | A | 0.0019 | |
| 189 | P | A | -0.4844 | |
| 190 | P | A | -0.6830 | |
| 191 | A | A | -0.6148 | |
| 192 | E | A | -1.1588 | |
| 193 | L | A | 0.0000 | |
| 194 | V | A | -0.0939 | |
| 195 | T | A | -0.6453 | |
| 196 | T | A | -0.6618 | |
| 197 | A | A | 0.0000 | |
| 198 | R | A | -0.9971 | |
| 199 | R | A | -1.7495 | |
| 200 | W | A | -1.2029 | |
| 201 | A | A | 0.0000 | |
| 202 | L | A | -1.6454 | |
| 203 | D | A | -2.3525 | |
| 204 | I | A | 0.0000 | |
| 205 | V | A | -1.3543 | |
| 206 | G | A | -1.7523 | |
| 207 | R | A | -3.0188 | |
| 208 | R | A | -3.2345 | |
| 209 | K | A | -2.1913 | |
| 210 | P | A | -1.0106 | |
| 211 | W | A | 0.1161 | |
| 212 | V | A | 0.6039 | |
| 213 | S | A | 0.2229 | |
| 214 | S | A | 0.0000 | |
| 215 | V | A | -0.2408 | |
| 216 | S | A | -0.6748 | |
| 217 | K | A | -1.0834 | |
| 218 | T | A | -1.4014 | |
| 219 | D | A | -2.2961 | |
| 220 | K | A | -1.6948 | |
| 221 | L | A | -0.9323 | |
| 222 | P | A | -1.0515 | |
| 223 | P | A | -0.8113 | |
| 224 | L | A | -0.2976 | |
| 225 | G | A | -1.8529 | |
| 226 | E | A | -2.7346 | |
| 227 | A | A | 0.0000 | |
| 228 | R | A | -2.5440 | |
| 229 | E | A | -2.3413 | |
| 230 | I | A | -0.8281 | |
| 231 | L | A | 0.0000 | |
| 232 | T | A | -0.5677 | |
| 233 | F | A | 0.9354 | |
| 234 | A | A | -0.0956 | |
| 235 | K | A | -0.1800 | |
| 236 | A | A | -0.0636 | |
| 237 | Q | A | -1.1811 | |
| 238 | T | A | 0.0000 | |
| 239 | L | A | -0.3422 | |
| 240 | K | A | -2.0237 | |
| 241 | R | A | -1.8397 | |
| 242 | A | A | -1.1297 | |
| 243 | P | A | -1.2611 | |
| 244 | N | A | -1.2702 | |
| 245 | M | A | -0.9058 | |
| 246 | K | A | -1.3888 | |
| 247 | H | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | L | A | -0.1753 | |
| 250 | M | A | -0.6989 | |
| 251 | C | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | D | A | -0.9878 | |
| 254 | A | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | E | A | -0.4420 | |
| 257 | V | A | 0.0277 | |
| 258 | G | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | V | A | 1.5736 | |
| 261 | S | A | 0.4302 | |
| 262 | G | A | -0.0876 | |
| 263 | P | A | -0.7966 | |
| 264 | R | A | -1.7115 | |
| 265 | A | A | -1.0060 | |
| 266 | G | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | E | A | -2.1925 | |
| 269 | K | A | -1.7282 | |
| 270 | E | A | 0.0000 | |
| 271 | A | A | 0.0000 | |
| 272 | E | A | -1.7209 | |
| 273 | V | A | 0.0000 | |
| 274 | A | A | -0.8474 | |
| 275 | S | A | -1.2906 | |
| 276 | Q | A | -1.2438 | |
| 277 | V | A | 0.0000 | |
| 278 | V | A | -1.2012 | |
| 279 | K | A | -2.3133 | |
| 280 | L | A | -1.8638 | |
| 281 | D | A | -2.3812 | |
| 282 | T | A | -1.6010 | |
| 283 | T | A | 0.0000 | |
| 284 | K | A | -1.7949 | |
| 285 | G | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | H | A | -0.0671 | |
| 289 | V | A | 0.0000 | |
| 290 | F | A | 0.0316 | |
| 291 | F | A | 0.1074 | |
| 292 | S | A | 0.0000 | |
| 293 | Q | A | -1.2012 | |
| 294 | R | A | -2.0583 | |
| 295 | G | A | -1.4850 | |
| 296 | T | A | 0.0000 | |
| 297 | A | A | -1.6440 | |
| 298 | K | A | -2.4659 | |
| 299 | V | A | 0.0000 | |
| 300 | P | A | -1.2252 | |
| 301 | G | A | -1.3306 | |
| 302 | V | A | 0.0000 | |
| 303 | T | A | -1.7801 | |
| 304 | D | A | -3.0790 | |
| 305 | R | A | -2.5900 | |
| 306 | G | A | -1.2213 | |
| 307 | L | A | 0.1859 | |
| 308 | V | A | 1.2514 | |
| 309 | P | A | 0.0424 | |
| 310 | R | A | -1.2525 | |
| 311 | K | A | -2.2613 | |
| 312 | I | A | -1.8061 | |
| 313 | K | A | -2.7318 | |
| 314 | K | A | -1.8723 | |
| 315 | V | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | G | A | 0.0000 | |
| 321 | G | A | 1.0361 | |
| 322 | L | A | 1.3224 | |
| 323 | M | A | 0.8383 | |
| 324 | G | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | I | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | I | A | 0.0000 | |
| 333 | L | A | -0.4406 | |
| 334 | S | A | -1.0411 | |
| 335 | N | A | -1.7345 | |
| 336 | Y | A | 0.0000 | |
| 337 | P | A | -1.0008 | |
| 338 | V | A | 0.0000 | |
| 339 | I | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | K | A | 0.0000 | |
| 342 | E | A | -0.0273 | |
| 343 | V | A | 1.0565 | |
| 344 | N | A | -0.9692 | |
| 345 | E | A | -2.5611 | |
| 346 | K | A | -2.4043 | |
| 347 | F | A | -0.3148 | |
| 348 | L | A | -1.4213 | |
| 349 | E | A | -2.6662 | |
| 350 | A | A | -1.3419 | |
| 351 | G | A | 0.0000 | |
| 352 | I | A | -1.1741 | |
| 353 | G | A | -1.4053 | |
| 354 | R | A | -1.5887 | |
| 355 | V | A | 0.0000 | |
| 356 | K | A | -1.8394 | |
| 357 | A | A | -1.2365 | |
| 358 | N | A | -1.1096 | |
| 359 | L | A | 0.0000 | |
| 360 | Q | A | -2.0890 | |
| 361 | S | A | -1.7951 | |
| 362 | R | A | -1.9439 | |
| 363 | V | A | -2.4623 | |
| 364 | R | A | -3.1522 | |
| 365 | K | A | -3.0095 | |
| 366 | G | A | -2.1518 | |
| 367 | S | A | -1.3812 | |
| 368 | M | A | -1.7429 | |
| 369 | S | A | -2.4496 | |
| 370 | Q | A | -3.4825 | |
| 371 | E | A | -3.9858 | |
| 372 | K | A | -3.4813 | |
| 373 | F | A | 0.0000 | |
| 374 | E | A | -4.0137 | |
| 375 | K | A | -3.6964 | |
| 376 | T | A | 0.0000 | |
| 377 | M | A | -1.6134 | |
| 378 | S | A | -1.4263 | |
| 379 | L | A | -1.0799 | |
| 380 | L | A | 0.0000 | |
| 381 | K | A | -1.8363 | |
| 382 | G | A | -1.7799 | |
| 383 | S | A | -1.0758 | |
| 384 | L | A | -0.3075 | |
| 385 | D | A | -1.4027 | |
| 386 | Y | A | -1.6881 | |
| 387 | E | A | -2.5931 | |
| 388 | S | A | -2.0668 | |
| 389 | F | A | 0.0000 | |
| 390 | R | A | -3.3880 | |
| 391 | D | A | -3.2327 | |
| 392 | V | A | 0.0000 | |
| 393 | D | A | -1.9468 | |
| 394 | M | A | 0.0000 | |
| 395 | V | A | 0.0000 | |
| 396 | I | A | 0.0000 | |
| 397 | E | A | 0.0000 | |
| 398 | A | A | 0.5975 | |
| 399 | V | A | 1.0490 | |
| 400 | I | A | 1.3538 | |
| 401 | E | A | -0.6093 | |
| 402 | N | A | -0.3893 | |
| 403 | I | A | -0.3568 | |
| 404 | S | A | -0.7329 | |
| 405 | L | A | 0.1421 | |
| 406 | K | A | 0.0000 | |
| 407 | Q | A | 0.0000 | |
| 408 | Q | A | -1.6022 | |
| 409 | I | A | 0.0000 | |
| 410 | F | A | 0.0000 | |
| 411 | A | A | -1.9894 | |
| 412 | D | A | -1.4195 | |
| 413 | L | A | 0.0000 | |
| 414 | E | A | -2.0292 | |
| 415 | K | A | -2.3889 | |
| 416 | Y | A | -2.1879 | |
| 417 | C | A | 0.0000 | |
| 418 | P | A | -2.0471 | |
| 419 | Q | A | -1.9763 | |
| 420 | H | A | -1.4689 | |
| 421 | C | A | 0.0000 | |
| 422 | I | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | A | A | 0.0000 | |
| 425 | S | A | 0.0000 | |
| 426 | N | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | S | A | -0.3942 | |
| 429 | T | A | -0.5424 | |
| 430 | I | A | -0.9295 | |
| 431 | D | A | -1.3807 | |
| 432 | L | A | 0.0000 | |
| 433 | N | A | -2.4968 | |
| 434 | K | A | -2.4590 | |
| 435 | I | A | 0.0000 | |
| 436 | G | A | 0.0000 | |
| 437 | E | A | -3.6869 | |
| 438 | R | A | -3.6674 | |
| 439 | T | A | 0.0000 | |
| 440 | K | A | -2.8540 | |
| 441 | S | A | 0.0000 | |
| 442 | Q | A | -2.8878 | |
| 443 | D | A | -2.8537 | |
| 444 | R | A | -1.8666 | |
| 445 | I | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | G | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | H | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | F | A | 0.4418 | |
| 452 | S | A | 0.6453 | |
| 453 | P | A | 0.7725 | |
| 454 | A | A | 0.0000 | |
| 455 | H | A | 0.6573 | |
| 456 | I | A | 1.8019 | |
| 457 | M | A | 0.9510 | |
| 458 | P | A | 0.2026 | |
| 459 | L | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | E | A | 0.0000 | |
| 462 | I | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | R | A | -1.0558 | |
| 465 | T | A | 0.0000 | |
| 466 | N | A | -2.3557 | |
| 467 | H | A | -2.5187 | |
| 468 | T | A | 0.0000 | |
| 469 | S | A | -1.3207 | |
| 470 | A | A | -0.6543 | |
| 471 | Q | A | -0.3440 | |
| 472 | V | A | 0.0000 | |
| 473 | I | A | 0.0000 | |
| 474 | V | A | 0.0000 | |
| 475 | D | A | 0.0000 | |
| 476 | L | A | 0.0000 | |
| 477 | L | A | 0.0000 | |
| 478 | D | A | -1.3330 | |
| 479 | V | A | 0.0000 | |
| 480 | G | A | 0.0000 | |
| 481 | K | A | -2.5347 | |
| 482 | K | A | -2.7408 | |
| 483 | I | A | 0.0000 | |
| 484 | K | A | -2.3603 | |
| 485 | K | A | 0.0000 | |
| 486 | T | A | 0.0000 | |
| 487 | P | A | 0.0000 | |
| 488 | V | A | 0.0000 | |
| 489 | V | A | 0.0000 | |
| 490 | V | A | 0.0000 | |
| 491 | G | A | -0.4847 | |
| 492 | N | A | -0.7493 | |
| 493 | C | A | -0.5527 | |
| 494 | T | A | -0.4521 | |
| 495 | G | A | 0.0000 | |
| 496 | F | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | V | A | 0.0000 | |
| 499 | N | A | -0.2517 | |
| 500 | R | A | 0.0000 | |
| 501 | M | A | 0.0000 | |
| 502 | F | A | 0.0000 | |
| 503 | F | A | 0.0000 | |
| 504 | P | A | 0.0000 | |
| 505 | Y | A | 0.0000 | |
| 506 | T | A | 0.0474 | |
| 507 | Q | A | 0.0000 | |
| 508 | A | A | 0.0000 | |
| 509 | A | A | 0.0000 | |
| 510 | M | A | 0.0000 | |
| 511 | F | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | E | A | 0.0000 | |
| 515 | C | A | 0.0000 | |
| 516 | G | A | -1.0526 | |
| 517 | A | A | 0.0000 | |
| 518 | D | A | -1.2938 | |
| 519 | P | A | 0.0000 | |
| 520 | Y | A | -0.5998 | |
| 521 | L | A | -0.7774 | |
| 522 | I | A | 0.0000 | |
| 523 | D | A | 0.0000 | |
| 524 | R | A | -2.0949 | |
| 525 | A | A | 0.0000 | |
| 526 | I | A | 0.0000 | |
| 527 | S | A | -1.5185 | |
| 528 | K | A | -2.5197 | |
| 529 | F | A | 0.0000 | |
| 530 | G | A | -1.1066 | |
| 531 | M | A | 0.0000 | |
| 532 | P | A | -0.4496 | |
| 533 | M | A | -0.3042 | |
| 534 | G | A | 0.0000 | |
| 535 | P | A | 0.0000 | |
| 536 | F | A | 0.0000 | |
| 537 | R | A | 0.2874 | |
| 538 | L | A | 0.8182 | |
| 539 | C | A | 0.0000 | |
| 540 | D | A | 0.0000 | |
| 541 | L | A | 1.2453 | |
| 542 | V | A | 1.8989 | |
| 543 | G | A | 1.2025 | |
| 544 | F | A | 0.0000 | |
| 545 | G | A | 0.6846 | |
| 546 | V | A | 1.9830 | |
| 547 | A | A | 1.2764 | |
| 548 | I | A | 0.9153 | |
| 549 | A | A | 0.5302 | |
| 550 | T | A | 0.4550 | |
| 551 | A | A | -0.2380 | |
| 552 | T | A | -0.6148 | |
| 553 | Q | A | -1.0452 | |
| 554 | F | A | 0.0000 | |
| 555 | I | A | -1.5618 | |
| 556 | E | A | -2.3822 | |
| 557 | N | A | -1.8469 | |
| 558 | F | A | -1.3333 | |
| 559 | S | A | -2.0715 | |
| 560 | E | A | -2.8124 | |
| 561 | R | A | -2.0993 | |
| 562 | T | A | -1.4658 | |
| 563 | Y | A | -1.1862 | |
| 564 | K | A | -1.5744 | |
| 565 | S | A | -0.4405 | |
| 566 | M | A | 0.0769 | |
| 567 | I | A | 0.0000 | |
| 568 | I | A | -0.0335 | |
| 569 | P | A | -0.8033 | |
| 570 | L | A | 0.0000 | |
| 571 | M | A | 0.0000 | |
| 572 | Q | A | -2.5606 | |
| 573 | E | A | -3.3924 | |
| 574 | D | A | -3.6921 | |
| 575 | K | A | -3.4003 | |
| 576 | R | A | 0.0000 | |
| 577 | A | A | -1.1971 | |
| 578 | G | A | 0.0000 | |
| 579 | E | A | -1.1655 | |
| 580 | A | A | -0.6234 | |
| 581 | T | A | -1.4218 | |
| 582 | R | A | -2.9140 | |
| 583 | K | A | -2.1287 | |
| 584 | G | A | 0.0000 | |
| 585 | F | A | 0.0000 | |
| 586 | Y | A | 0.0000 | |
| 587 | L | A | -1.6609 | |
| 588 | Y | A | 0.0000 | |
| 589 | D | A | -3.4592 | |
| 590 | D | A | -3.8989 | |
| 591 | K | A | -4.0678 | |
| 592 | R | A | -4.4713 | |
| 593 | K | A | -3.9555 | |
| 594 | A | A | -2.4191 | |
| 595 | K | A | -1.8207 | |
| 596 | P | A | -0.8423 | |
| 597 | D | A | 0.0000 | |
| 598 | P | A | -1.6748 | |
| 599 | E | A | -2.5356 | |
| 600 | L | A | 0.0000 | |
| 601 | K | A | -3.8752 | |
| 602 | K | A | -4.0492 | |
| 603 | Y | A | 0.0000 | |
| 604 | I | A | 0.0000 | |
| 605 | E | A | -3.6048 | |
| 606 | K | A | -2.9285 | |
| 607 | A | A | 0.0000 | |
| 608 | R | A | -1.3544 | |
| 609 | S | A | -0.8697 | |
| 610 | I | A | 0.8920 | |
| 611 | S | A | -0.3453 | |
| 612 | G | A | -0.2831 | |
| 613 | V | A | -0.4270 | |
| 614 | K | A | -1.3986 | |
| 615 | L | A | -0.2947 | |
| 616 | D | A | -1.1203 | |
| 617 | P | A | -1.4644 | |
| 618 | K | A | -2.1781 | |
| 619 | L | A | 0.0000 | |
| 620 | A | A | -1.3690 | |
| 621 | N | A | -2.1764 | |
| 622 | L | A | -1.7729 | |
| 623 | S | A | -1.8207 | |
| 624 | E | A | -2.7961 | |
| 625 | K | A | -2.4723 | |
| 626 | D | A | -1.6557 | |
| 627 | I | A | 0.0000 | |
| 628 | I | A | -0.9882 | |
| 629 | E | A | 0.0000 | |
| 630 | M | A | 0.0000 | |
| 631 | T | A | 0.0000 | |
| 632 | F | A | 0.0000 | |
| 633 | F | A | 0.0000 | |
| 634 | P | A | 0.0000 | |
| 635 | V | A | 0.0000 | |
| 636 | V | A | 0.0000 | |
| 637 | N | A | -0.4631 | |
| 638 | E | A | 0.0000 | |
| 639 | A | A | 0.0000 | |
| 640 | C | A | 0.0000 | |
| 641 | R | A | -1.0387 | |
| 642 | V | A | 0.0000 | |
| 643 | F | A | 0.0000 | |
| 644 | A | A | -1.0350 | |
| 645 | E | A | -2.0443 | |
| 646 | G | A | -1.4157 | |
| 647 | I | A | -0.7473 | |
| 648 | A | A | 0.0000 | |
| 649 | V | A | -0.3410 | |
| 650 | K | A | -0.3086 | |
| 651 | A | A | 0.0000 | |
| 652 | A | A | -0.0362 | |
| 653 | D | A | 0.0000 | |
| 654 | L | A | 0.0000 | |
| 655 | D | A | 0.0000 | |
| 656 | I | A | 0.0000 | |
| 657 | A | A | 0.0000 | |
| 658 | G | A | 0.0000 | |
| 659 | I | A | 0.0000 | |
| 660 | M | A | 0.0957 | |
| 661 | G | A | 0.0509 | |
| 662 | M | A | 0.1299 | |
| 663 | G | A | -0.0918 | |
| 664 | F | A | 0.0000 | |
| 665 | P | A | 0.0000 | |
| 666 | P | A | -0.2537 | |
| 667 | Y | A | -0.7086 | |
| 668 | R | A | -0.8630 | |
| 669 | G | A | 0.0000 | |
| 670 | G | A | 0.0000 | |
| 671 | I | A | 0.0000 | |
| 672 | M | A | 0.0000 | |
| 673 | F | A | 0.3166 | |
| 674 | W | A | 0.0000 | |
| 675 | A | A | 0.0000 | |
| 676 | D | A | 0.2603 | |
| 677 | S | A | -0.1177 | |
| 678 | I | A | 0.3863 | |
| 679 | G | A | 0.0116 | |
| 680 | S | A | 0.0000 | |
| 681 | K | A | -1.8309 | |
| 682 | Y | A | -0.5068 | |
| 683 | I | A | 0.0000 | |
| 684 | Y | A | -1.3760 | |
| 685 | S | A | -1.3795 | |
| 686 | R | A | -1.5627 | |
| 687 | L | A | 0.0000 | |
| 688 | D | A | -3.3773 | |
| 689 | E | A | -3.1222 | |
| 690 | W | A | 0.0000 | |
| 691 | S | A | -3.1190 | |
| 692 | K | A | -3.1267 | |
| 693 | A | A | -1.5199 | |
| 694 | Y | A | -1.2143 | |
| 695 | G | A | -2.1024 | |
| 696 | E | A | -3.4092 | |
| 697 | F | A | 0.0000 | |
| 698 | F | A | 0.0000 | |
| 699 | K | A | -3.5276 | |
| 700 | P | A | 0.0000 | |
| 701 | C | A | 0.0000 | |
| 702 | A | A | -0.6135 | |
| 703 | F | A | -0.6762 | |
| 704 | L | A | 0.0000 | |
| 705 | A | A | -1.6817 | |
| 706 | E | A | -2.2376 | |
| 707 | R | A | 0.0000 | |
| 708 | G | A | 0.0000 | |
| 709 | S | A | -1.9632 | |
| 710 | K | A | -2.3699 | |
| 711 | G | A | -1.4497 | |
| 712 | V | A | -0.0791 | |
| 713 | L | A | 0.9883 | |
| 714 | L | A | 0.0000 | |
| 715 | S | A | 0.3947 | |
| 716 | A | A | 0.2026 | |
| 717 | P | A | -0.5807 | |
| 718 | V | A | -1.0175 | |
| 719 | K | A | -2.1207 | |
| 720 | Q | A | -2.3087 | |
| 721 | A | A | -1.6945 | |
| 722 | S | A | -1.3152 | |
| 723 | S | A | -1.4628 | |
| 724 | R | A | -2.1696 | |
| 725 | L | A | -0.5350 |
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 | -0.8413 | 3.2812 | View | CSV | PDB |
| 4.5 | -0.8948 | 3.221 | View | CSV | PDB |
| 5.0 | -0.9585 | 3.1376 | View | CSV | PDB |
| 5.5 | -1.018 | 3.0479 | View | CSV | PDB |
| 6.0 | -1.0568 | 2.9701 | View | CSV | PDB |
| 6.5 | -1.0629 | 2.9202 | View | CSV | PDB |
| 7.0 | -1.0364 | 2.9377 | View | CSV | PDB |
| 7.5 | -0.9875 | 2.9885 | View | CSV | PDB |
| 8.0 | -0.9263 | 3.0408 | View | CSV | PDB |
| 8.5 | -0.8568 | 3.0933 | View | CSV | PDB |
| 9.0 | -0.7806 | 3.1455 | 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