| Chain sequence(s) |
A: MAEVVEKRHDDDVKEKLKSNGIVVPNPKPSKGVTSTLVDTVEKLIVKLMYDSSQPHHYLAGNFAPVIEETPPTKDLHVIGHLPDCLNGEFVRVGPNPKFAPVAGYHWFDGDGMIHGMRIKDGKATYVSRYVKTSRLKQEEYFGGAKFMKVGDLKGLFGLLMVYMQQLRAKLKVLDLSYGHGTGNTAFVYHHGKLLALSEGDKPYVLKVLEDGDLQTVGLLDYDKRLKHSFTAHPKVDPFTGEMFTFGYSHDPPYVTYRVISKDGFMHDPIPITVPAPVMMHDFAITENYAIFMDLPLYFRPKEMVKEGKLIFSFDETKKARFGVLPRYAKDDLLIRWFELPNCFIFHNANAWEEEDEVVLMTCRLENPDLDMVNGPIKKKLDNFKNELYEMRFNLKTGLATQKKLSESAVDFPRVNESYTGRKQRYVYGTTLDSIAKVTGIVKFDLHAAPEIGKTKIEVGGNVQGLYDLGPGRFGSEAIFVPRVPGITSEEDDGYLIFFVHDENTGKSAIHVLDAKTMSGDPVAIVELPHRVPYGFHAFFVTEEQLQEQAKF
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] (00:00:14)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:14)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:14)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:14)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:16)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2cb1330ffa55226/tmp/folded.pdb (00:11:09)
[INFO] Main: Simulation completed successfully. (00:15:39)
|
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 | 0.6478 | |
| 2 | A | A | -0.6523 | |
| 3 | E | A | -2.2564 | |
| 4 | V | A | -1.1311 | |
| 5 | V | A | -1.7758 | |
| 6 | E | A | -4.2660 | |
| 7 | K | A | -4.7791 | |
| 8 | R | A | -4.9508 | |
| 9 | H | A | -4.7945 | |
| 10 | D | A | -5.0341 | |
| 11 | D | A | -5.5068 | |
| 12 | D | A | -5.1283 | |
| 13 | V | A | -2.8740 | |
| 14 | K | A | -3.6739 | |
| 15 | E | A | -4.5686 | |
| 16 | K | A | -3.4218 | |
| 17 | L | A | -2.1966 | |
| 18 | K | A | -3.3744 | |
| 19 | S | A | -2.4699 | |
| 20 | N | A | -1.9653 | |
| 21 | G | A | -2.0599 | |
| 22 | I | A | 0.0000 | |
| 23 | V | A | -0.6635 | |
| 24 | V | A | -0.0853 | |
| 25 | P | A | 0.0000 | |
| 26 | N | A | -1.6875 | |
| 27 | P | A | -1.4752 | |
| 28 | K | A | -2.4653 | |
| 29 | P | A | 0.0000 | |
| 30 | S | A | -1.5210 | |
| 31 | K | A | -1.7942 | |
| 32 | G | A | -0.0949 | |
| 33 | V | A | 1.6321 | |
| 34 | T | A | 0.7446 | |
| 35 | S | A | 0.0000 | |
| 36 | T | A | 0.8893 | |
| 37 | L | A | 1.8260 | |
| 38 | V | A | 0.0000 | |
| 39 | D | A | 0.2998 | |
| 40 | T | A | 0.4956 | |
| 41 | V | A | 0.8531 | |
| 42 | E | A | 0.0000 | |
| 43 | K | A | -0.7095 | |
| 44 | L | A | 0.9340 | |
| 45 | I | A | 0.8114 | |
| 46 | V | A | 0.0000 | |
| 47 | K | A | -0.8822 | |
| 48 | L | A | 1.0158 | |
| 49 | M | A | 0.7950 | |
| 50 | Y | A | -0.4370 | |
| 51 | D | A | -2.0526 | |
| 52 | S | A | -1.6483 | |
| 53 | S | A | -1.4385 | |
| 54 | Q | A | -1.8419 | |
| 55 | P | A | -1.0536 | |
| 56 | H | A | -0.5444 | |
| 57 | H | A | -0.5734 | |
| 58 | Y | A | 0.0000 | |
| 59 | L | A | 0.1152 | |
| 60 | A | A | -0.0966 | |
| 61 | G | A | -0.6149 | |
| 62 | N | A | 0.0000 | |
| 63 | F | A | 0.0000 | |
| 64 | A | A | 0.1283 | |
| 65 | P | A | 0.0917 | |
| 66 | V | A | 0.0000 | |
| 67 | I | A | 0.2664 | |
| 68 | E | A | -1.6011 | |
| 69 | E | A | -1.3357 | |
| 70 | T | A | -0.9321 | |
| 71 | P | A | -1.1354 | |
| 72 | P | A | -1.1605 | |
| 73 | T | A | -1.5984 | |
| 74 | K | A | -3.2134 | |
| 75 | D | A | -3.0185 | |
| 76 | L | A | -1.9917 | |
| 77 | H | A | -1.5058 | |
| 78 | V | A | -0.2930 | |
| 79 | I | A | 0.8110 | |
| 80 | G | A | -0.3654 | |
| 81 | H | A | -1.1894 | |
| 82 | L | A | 0.0000 | |
| 83 | P | A | 0.0000 | |
| 84 | D | A | -2.6770 | |
| 85 | C | A | -1.2160 | |
| 86 | L | A | 0.0000 | |
| 87 | N | A | -2.0712 | |
| 88 | G | A | 0.0000 | |
| 89 | E | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | R | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | P | A | 0.0000 | |
| 96 | N | A | 0.0000 | |
| 97 | P | A | 0.0000 | |
| 98 | K | A | -0.3971 | |
| 99 | F | A | -0.0198 | |
| 100 | A | A | 0.2187 | |
| 101 | P | A | 0.2025 | |
| 102 | V | A | 0.1193 | |
| 103 | A | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | Y | A | 0.0000 | |
| 106 | H | A | 0.0000 | |
| 107 | W | A | 0.0000 | |
| 108 | F | A | 0.5699 | |
| 109 | D | A | 0.0000 | |
| 110 | G | A | 0.0000 | |
| 111 | D | A | 0.0000 | |
| 112 | G | A | 0.0000 | |
| 113 | M | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | H | A | 0.0000 | |
| 116 | G | A | 0.0000 | |
| 117 | M | A | 0.0000 | |
| 118 | R | A | -1.5118 | |
| 119 | I | A | 0.0000 | |
| 120 | K | A | -2.9693 | |
| 121 | D | A | -3.3933 | |
| 122 | G | A | -2.9637 | |
| 123 | K | A | -3.5463 | |
| 124 | A | A | 0.0000 | |
| 125 | T | A | 0.0000 | |
| 126 | Y | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | S | A | 0.0000 | |
| 129 | R | A | -0.8947 | |
| 130 | Y | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | K | A | -0.9201 | |
| 133 | T | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | R | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | K | A | -1.4327 | |
| 138 | Q | A | 0.0000 | |
| 139 | E | A | 0.0000 | |
| 140 | E | A | -1.8123 | |
| 141 | Y | A | -0.7115 | |
| 142 | F | A | -0.7020 | |
| 143 | G | A | -0.9236 | |
| 144 | G | A | -0.5057 | |
| 145 | A | A | -0.2904 | |
| 146 | K | A | -0.3378 | |
| 147 | F | A | 0.0000 | |
| 148 | M | A | 0.4021 | |
| 149 | K | A | 0.0000 | |
| 150 | V | A | 0.6240 | |
| 151 | G | A | 0.0000 | |
| 152 | D | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | K | A | -0.6600 | |
| 155 | G | A | -0.6447 | |
| 156 | L | A | 1.0693 | |
| 157 | F | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | L | A | 1.9940 | |
| 160 | L | A | 1.6192 | |
| 161 | M | A | 0.0000 | |
| 162 | V | A | 1.4499 | |
| 163 | Y | A | 1.4855 | |
| 164 | M | A | 0.0000 | |
| 165 | Q | A | -0.1439 | |
| 166 | Q | A | -1.0683 | |
| 167 | L | A | -0.6873 | |
| 168 | R | A | 0.0000 | |
| 169 | A | A | -1.5064 | |
| 170 | K | A | -2.2469 | |
| 171 | L | A | -1.3140 | |
| 172 | K | A | -2.6248 | |
| 173 | V | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | D | A | -1.4936 | |
| 176 | L | A | -0.5657 | |
| 177 | S | A | -0.4807 | |
| 178 | Y | A | -0.2063 | |
| 179 | G | A | -0.4736 | |
| 180 | H | A | -0.8807 | |
| 181 | G | A | -0.6525 | |
| 182 | T | A | 0.0000 | |
| 183 | G | A | 0.0000 | |
| 184 | N | A | 0.0000 | |
| 185 | T | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | Y | A | 0.0000 | |
| 190 | H | A | 0.0000 | |
| 191 | H | A | -1.2337 | |
| 192 | G | A | 0.0000 | |
| 193 | K | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | S | A | 0.0000 | |
| 199 | E | A | -0.5438 | |
| 200 | G | A | -0.8787 | |
| 201 | D | A | 0.0000 | |
| 202 | K | A | -0.8395 | |
| 203 | P | A | 0.0000 | |
| 204 | Y | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | K | A | -0.5103 | |
| 208 | V | A | 0.0000 | |
| 209 | L | A | -1.3999 | |
| 210 | E | A | -2.6642 | |
| 211 | D | A | -2.7751 | |
| 212 | G | A | 0.0000 | |
| 213 | D | A | -1.4392 | |
| 214 | L | A | 0.0000 | |
| 215 | Q | A | -1.0716 | |
| 216 | T | A | -0.5805 | |
| 217 | V | A | -0.0446 | |
| 218 | G | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | D | A | 0.0000 | |
| 222 | Y | A | 0.0000 | |
| 223 | D | A | -2.9242 | |
| 224 | K | A | -3.1643 | |
| 225 | R | A | -2.5738 | |
| 226 | L | A | 0.0000 | |
| 227 | K | A | -2.3671 | |
| 228 | H | A | -1.2046 | |
| 229 | S | A | -0.7909 | |
| 230 | F | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | A | A | 0.0000 | |
| 233 | H | A | 0.0000 | |
| 234 | P | A | 0.0000 | |
| 235 | K | A | -0.2597 | |
| 236 | V | A | -0.0350 | |
| 237 | D | A | 0.0000 | |
| 238 | P | A | 0.3096 | |
| 239 | F | A | 1.2785 | |
| 240 | T | A | 0.0922 | |
| 241 | G | A | -0.7614 | |
| 242 | E | A | -0.8813 | |
| 243 | M | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | T | A | 0.0000 | |
| 246 | F | A | 0.0000 | |
| 247 | G | A | 0.0000 | |
| 248 | Y | A | -0.5159 | |
| 249 | S | A | -1.1660 | |
| 250 | H | A | -1.8507 | |
| 251 | D | A | -2.3863 | |
| 252 | P | A | -1.4405 | |
| 253 | P | A | -1.0129 | |
| 254 | Y | A | -0.8904 | |
| 255 | V | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | Y | A | 0.0000 | |
| 258 | R | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | S | A | -1.1713 | |
| 262 | K | A | -2.5193 | |
| 263 | D | A | -2.3961 | |
| 264 | G | A | -1.0767 | |
| 265 | F | A | -0.0973 | |
| 266 | M | A | 0.0000 | |
| 267 | H | A | -0.8644 | |
| 268 | D | A | -2.2493 | |
| 269 | P | A | -1.7448 | |
| 270 | I | A | 0.0000 | |
| 271 | P | A | -0.8320 | |
| 272 | I | A | 0.0000 | |
| 273 | T | A | -0.1531 | |
| 274 | V | A | 0.0000 | |
| 275 | P | A | -0.2943 | |
| 276 | A | A | -0.5354 | |
| 277 | P | A | -0.7217 | |
| 278 | V | A | 0.0000 | |
| 279 | M | A | 0.0000 | |
| 280 | M | A | 0.0000 | |
| 281 | H | A | 0.0000 | |
| 282 | D | A | 0.0000 | |
| 283 | F | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | T | A | 0.0000 | |
| 287 | E | A | -1.9859 | |
| 288 | N | A | -1.4938 | |
| 289 | Y | A | -0.4990 | |
| 290 | A | A | 0.0000 | |
| 291 | I | A | 0.0000 | |
| 292 | F | A | 0.0000 | |
| 293 | M | A | 0.0000 | |
| 294 | D | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | P | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | Y | A | 0.0000 | |
| 299 | F | A | -0.3077 | |
| 300 | R | A | -1.0424 | |
| 301 | P | A | -1.1313 | |
| 302 | K | A | -2.4778 | |
| 303 | E | A | -2.7968 | |
| 304 | M | A | 0.0000 | |
| 305 | V | A | -1.1924 | |
| 306 | K | A | -2.9399 | |
| 307 | E | A | -3.2660 | |
| 308 | G | A | -2.1462 | |
| 309 | K | A | -2.3925 | |
| 310 | L | A | 0.0000 | |
| 311 | I | A | 0.0000 | |
| 312 | F | A | -0.3516 | |
| 313 | S | A | -0.7992 | |
| 314 | F | A | -1.1140 | |
| 315 | D | A | -1.6667 | |
| 316 | E | A | -2.8468 | |
| 317 | T | A | -1.7655 | |
| 318 | K | A | -2.4471 | |
| 319 | K | A | -2.8377 | |
| 320 | A | A | 0.0000 | |
| 321 | R | A | -1.6676 | |
| 322 | F | A | 0.0000 | |
| 323 | G | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | P | A | -0.3178 | |
| 327 | R | A | 0.0000 | |
| 328 | Y | A | 0.6460 | |
| 329 | A | A | 0.0542 | |
| 330 | K | A | -1.6695 | |
| 331 | D | A | -0.7528 | |
| 332 | D | A | -0.1680 | |
| 333 | L | A | 1.2147 | |
| 334 | L | A | 0.9471 | |
| 335 | I | A | 0.0000 | |
| 336 | R | A | -1.2933 | |
| 337 | W | A | -1.0043 | |
| 338 | F | A | 0.0000 | |
| 339 | E | A | -2.2187 | |
| 340 | L | A | 0.0000 | |
| 341 | P | A | -1.6615 | |
| 342 | N | A | -2.2332 | |
| 343 | C | A | 0.0000 | |
| 344 | F | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | F | A | 0.0000 | |
| 347 | H | A | 0.0000 | |
| 348 | N | A | 0.0000 | |
| 349 | A | A | -0.2203 | |
| 350 | N | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | W | A | 0.0000 | |
| 353 | E | A | -2.1584 | |
| 354 | E | A | -2.1259 | |
| 355 | E | A | -2.7030 | |
| 356 | D | A | -2.2772 | |
| 357 | E | A | -1.6607 | |
| 358 | V | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | L | A | 0.0000 | |
| 361 | M | A | 0.0000 | |
| 362 | T | A | 0.0000 | |
| 363 | C | A | 0.0000 | |
| 364 | R | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | E | A | -2.0518 | |
| 367 | N | A | -2.6061 | |
| 368 | P | A | 0.0000 | |
| 369 | D | A | -2.2299 | |
| 370 | L | A | 0.0000 | |
| 371 | D | A | -1.2705 | |
| 372 | M | A | -1.2633 | |
| 373 | V | A | 0.0000 | |
| 374 | N | A | -0.4196 | |
| 375 | G | A | -0.6457 | |
| 376 | P | A | -0.9289 | |
| 377 | I | A | -1.0673 | |
| 378 | K | A | -2.8519 | |
| 379 | K | A | -3.2852 | |
| 380 | K | A | -3.6990 | |
| 381 | L | A | -2.8399 | |
| 382 | D | A | -3.2280 | |
| 383 | N | A | -2.9339 | |
| 384 | F | A | -2.1056 | |
| 385 | K | A | -1.8356 | |
| 386 | N | A | 0.0000 | |
| 387 | E | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | Y | A | 0.0000 | |
| 390 | E | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | R | A | -0.6299 | |
| 393 | F | A | 0.0000 | |
| 394 | N | A | -1.0249 | |
| 395 | L | A | -1.0995 | |
| 396 | K | A | -1.8363 | |
| 397 | T | A | -0.6348 | |
| 398 | G | A | -0.6172 | |
| 399 | L | A | 0.7058 | |
| 400 | A | A | 0.0465 | |
| 401 | T | A | -0.5283 | |
| 402 | Q | A | -1.3085 | |
| 403 | K | A | -2.0909 | |
| 404 | K | A | -1.7912 | |
| 405 | L | A | 0.0000 | |
| 406 | S | A | 0.0000 | |
| 407 | E | A | -1.7251 | |
| 408 | S | A | -1.1136 | |
| 409 | A | A | -0.8989 | |
| 410 | V | A | 0.0000 | |
| 411 | D | A | 0.0000 | |
| 412 | F | A | 0.0000 | |
| 413 | P | A | 0.0000 | |
| 414 | R | A | -0.5054 | |
| 415 | V | A | -0.5298 | |
| 416 | N | A | 0.0000 | |
| 417 | E | A | -1.4432 | |
| 418 | S | A | -0.2669 | |
| 419 | Y | A | -0.3701 | |
| 420 | T | A | -0.6576 | |
| 421 | G | A | 0.0000 | |
| 422 | R | A | -1.2344 | |
| 423 | K | A | -1.7512 | |
| 424 | Q | A | 0.0000 | |
| 425 | R | A | -1.1032 | |
| 426 | Y | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | Y | A | 0.0000 | |
| 429 | G | A | 0.0000 | |
| 430 | T | A | 0.0000 | |
| 431 | T | A | -0.5409 | |
| 432 | L | A | 0.0000 | |
| 433 | D | A | -2.0265 | |
| 434 | S | A | -1.5570 | |
| 435 | I | A | -0.1728 | |
| 436 | A | A | 0.0000 | |
| 437 | K | A | -0.8902 | |
| 438 | V | A | 0.0000 | |
| 439 | T | A | -1.1757 | |
| 440 | G | A | 0.0000 | |
| 441 | I | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | K | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | D | A | 0.0000 | |
| 446 | L | A | -0.5173 | |
| 447 | H | A | -1.0863 | |
| 448 | A | A | -0.9456 | |
| 449 | A | A | -0.5101 | |
| 450 | P | A | -1.2224 | |
| 451 | E | A | -1.4291 | |
| 452 | I | A | 0.3556 | |
| 453 | G | A | -0.6554 | |
| 454 | K | A | -1.9078 | |
| 455 | T | A | -1.5073 | |
| 456 | K | A | -2.5525 | |
| 457 | I | A | -1.5632 | |
| 458 | E | A | -1.8390 | |
| 459 | V | A | 0.3875 | |
| 460 | G | A | -0.7111 | |
| 461 | G | A | -1.0698 | |
| 462 | N | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | Q | A | -0.8215 | |
| 465 | G | A | 0.0000 | |
| 466 | L | A | -0.1240 | |
| 467 | Y | A | 0.0000 | |
| 468 | D | A | -1.8825 | |
| 469 | L | A | 0.0000 | |
| 470 | G | A | -1.0242 | |
| 471 | P | A | -1.0971 | |
| 472 | G | A | -1.2589 | |
| 473 | R | A | -1.6981 | |
| 474 | F | A | -0.9069 | |
| 475 | G | A | 0.0000 | |
| 476 | S | A | 0.0000 | |
| 477 | E | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | I | A | 0.0000 | |
| 480 | F | A | 0.0000 | |
| 481 | V | A | 0.0000 | |
| 482 | P | A | -0.4108 | |
| 483 | R | A | -0.7151 | |
| 484 | V | A | 0.8210 | |
| 485 | P | A | 0.1970 | |
| 486 | G | A | 0.1972 | |
| 487 | I | A | 0.6350 | |
| 488 | T | A | 0.1608 | |
| 489 | S | A | -0.6411 | |
| 490 | E | A | -1.9543 | |
| 491 | E | A | -1.3203 | |
| 492 | D | A | 0.0000 | |
| 493 | D | A | -1.4234 | |
| 494 | G | A | 0.0000 | |
| 495 | Y | A | 0.0000 | |
| 496 | L | A | 0.0000 | |
| 497 | I | A | 0.0000 | |
| 498 | F | A | 0.0000 | |
| 499 | F | A | 0.0000 | |
| 500 | V | A | 0.0000 | |
| 501 | H | A | 0.0000 | |
| 502 | D | A | 0.0000 | |
| 503 | E | A | -2.2285 | |
| 504 | N | A | -2.2178 | |
| 505 | T | A | -1.5986 | |
| 506 | G | A | -1.8437 | |
| 507 | K | A | -2.1752 | |
| 508 | S | A | 0.0000 | |
| 509 | A | A | 0.0000 | |
| 510 | I | A | 0.0000 | |
| 511 | H | A | 0.0000 | |
| 512 | V | A | 0.0000 | |
| 513 | L | A | 0.0000 | |
| 514 | D | A | -1.0364 | |
| 515 | A | A | 0.0000 | |
| 516 | K | A | -1.9267 | |
| 517 | T | A | -1.0067 | |
| 518 | M | A | 0.0000 | |
| 519 | S | A | -1.1103 | |
| 520 | G | A | -1.6496 | |
| 521 | D | A | -2.0470 | |
| 522 | P | A | -0.9173 | |
| 523 | V | A | -0.4786 | |
| 524 | A | A | 0.0000 | |
| 525 | I | A | 0.1980 | |
| 526 | V | A | 0.0000 | |
| 527 | E | A | -1.0875 | |
| 528 | L | A | 0.0000 | |
| 529 | P | A | -1.1275 | |
| 530 | H | A | -1.2031 | |
| 531 | R | A | -1.0529 | |
| 532 | V | A | 0.0000 | |
| 533 | P | A | 0.0000 | |
| 534 | Y | A | 0.0000 | |
| 535 | G | A | -0.0290 | |
| 536 | F | A | 0.0000 | |
| 537 | H | A | 0.0000 | |
| 538 | A | A | 0.0000 | |
| 539 | F | A | 0.3355 | |
| 540 | F | A | 0.0000 | |
| 541 | V | A | 0.0000 | |
| 542 | T | A | -1.2280 | |
| 543 | E | A | -2.0694 | |
| 544 | E | A | -2.8340 | |
| 545 | Q | A | -2.0175 | |
| 546 | L | A | 0.0000 | |
| 547 | Q | A | -2.8115 | |
| 548 | E | A | -2.3047 | |
| 549 | Q | A | 0.0000 | |
| 550 | A | A | -1.3951 | |
| 551 | K | A | -1.4702 | |
| 552 | F | A | 0.0634 |
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 | -0.5562 | 3.8852 | View | CSV | PDB |
| 4.5 | -0.6228 | 3.8477 | View | CSV | PDB |
| 5.0 | -0.7007 | 3.7959 | View | CSV | PDB |
| 5.5 | -0.7735 | 3.7387 | View | CSV | PDB |
| 6.0 | -0.824 | 3.6849 | View | CSV | PDB |
| 6.5 | -0.8406 | 3.6433 | View | CSV | PDB |
| 7.0 | -0.8257 | 3.6191 | View | CSV | PDB |
| 7.5 | -0.7904 | 3.6086 | View | CSV | PDB |
| 8.0 | -0.7435 | 3.6048 | View | CSV | PDB |
| 8.5 | -0.6872 | 3.6035 | View | CSV | PDB |
| 9.0 | -0.6206 | 3.603 | 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