| Chain sequence(s) |
A: MSRRTRCEDLDELHYQDTDSDVPEQRDSKCKVKWTHEEDEQLRALVRQFGQQDWKFLASHFPNRTDQQCQYRWLRVLNPDLVKGPWTKEEDQKVIELVKKYGTKQWTLIAKHLKGRLGKQCRERWHNHLNPEVKKSCWTEEEDRIICEAHKVLGNRWAEIAKMLPGRTDNAVKNHWNSTIKRKVDTGGFLSESKDCKPPVYLLLELEDKDGLQSAQPTEGQGSLLTNWPSVPPTIKEEENSEEELAAATTSKEQEPIGTDLDAVRTPEPLEEFPKREDQEGSPPETSLPYKWVVEAANLLIPAVGSSLSEALDLIESDPDAWCDLSKFDLPEEPSAEDSINNSLVQLQASHQQQVLPPRQPSALVPSVTEYRLDGHTISDLSRSSRGELIPISPSTEVGGSGIGTPPSVLKRQRKRRVALSPVTENSTSLSFLDSCNSLTPKSTPVKTLPFSPSQFLNFWNKQDTLELESPSLTSTPVCSQKVVVTTPLHRDKTPLHQKHAAFVTPDQKYSMDNTPHTPTPFKNALEKYGPLKPLPQTPHLEEDLKEVLRSEAGIELIIEDDIRPEKQKRKPGLRRSPIKKVRKSLALDIVDEDVKLMMSTLPKSLSLPTTAPSNSSSLTLSGIKEDNSLLNQGFLQAKPEKAAVAQKPRSHFTTPAPMSSAWKTVACGGTRDQLFMQEKARQLLGRLKPSHTSRTLILS
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/90ea2904ed64a4e/tmp/folded.pdb (00:12:41)
[INFO] Main: Simulation completed successfully. (00:19:55)
|
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 | 0.5753 | |
| 2 | S | A | -1.0359 | |
| 3 | R | A | -2.7474 | |
| 4 | R | A | -3.3321 | |
| 5 | T | A | -2.1242 | |
| 6 | R | A | -2.5396 | |
| 7 | C | A | -1.6307 | |
| 8 | E | A | -2.7295 | |
| 9 | D | A | -2.5075 | |
| 10 | L | A | -0.9978 | |
| 11 | D | A | -2.1072 | |
| 12 | E | A | -1.6591 | |
| 13 | L | A | 0.1947 | |
| 14 | H | A | -0.7357 | |
| 15 | Y | A | 0.0135 | |
| 16 | Q | A | -1.7420 | |
| 17 | D | A | -2.7501 | |
| 18 | T | A | -2.2704 | |
| 19 | D | A | -2.8343 | |
| 20 | S | A | -1.7614 | |
| 21 | D | A | -1.8272 | |
| 22 | V | A | -0.1921 | |
| 23 | P | A | -1.4717 | |
| 24 | E | A | -3.0971 | |
| 25 | Q | A | -3.3026 | |
| 26 | R | A | -4.1878 | |
| 27 | D | A | -3.7730 | |
| 28 | S | A | -2.6456 | |
| 29 | K | A | -2.6891 | |
| 30 | C | A | -1.2933 | |
| 31 | K | A | -1.7722 | |
| 32 | V | A | -0.8928 | |
| 33 | K | A | -1.6385 | |
| 34 | W | A | -1.3154 | |
| 35 | T | A | -1.7122 | |
| 36 | H | A | -2.6740 | |
| 37 | E | A | -3.2951 | |
| 38 | E | A | 0.0000 | |
| 39 | D | A | -2.4266 | |
| 40 | E | A | -3.5292 | |
| 41 | Q | A | -2.7177 | |
| 42 | L | A | 0.0000 | |
| 43 | R | A | -3.0478 | |
| 44 | A | A | -2.0112 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | R | A | -2.5486 | |
| 48 | Q | A | -1.6055 | |
| 49 | F | A | -0.0364 | |
| 50 | G | A | -1.5062 | |
| 51 | Q | A | -2.2361 | |
| 52 | Q | A | -2.3563 | |
| 53 | D | A | -2.4278 | |
| 54 | W | A | -2.1050 | |
| 55 | K | A | -2.2495 | |
| 56 | F | A | -0.2957 | |
| 57 | L | A | 0.0000 | |
| 58 | A | A | 0.0000 | |
| 59 | S | A | -0.7294 | |
| 60 | H | A | -0.7777 | |
| 61 | F | A | 0.0000 | |
| 62 | P | A | -1.0244 | |
| 63 | N | A | -1.5553 | |
| 64 | R | A | 0.0000 | |
| 65 | T | A | -1.3914 | |
| 66 | D | A | -1.7750 | |
| 67 | Q | A | -1.5939 | |
| 68 | Q | A | -1.1052 | |
| 69 | C | A | 0.0000 | |
| 70 | Q | A | -1.4655 | |
| 71 | Y | A | -0.0667 | |
| 72 | R | A | -0.4693 | |
| 73 | W | A | 0.0000 | |
| 74 | L | A | -0.4821 | |
| 75 | R | A | -1.2470 | |
| 76 | V | A | -0.5329 | |
| 77 | L | A | -0.7720 | |
| 78 | N | A | -1.0500 | |
| 79 | P | A | -1.2521 | |
| 80 | D | A | -2.1656 | |
| 81 | L | A | -1.5030 | |
| 82 | V | A | -1.2588 | |
| 83 | K | A | -1.8359 | |
| 84 | G | A | -1.0779 | |
| 85 | P | A | -0.7671 | |
| 86 | W | A | -0.9599 | |
| 87 | T | A | -1.7468 | |
| 88 | K | A | -3.0569 | |
| 89 | E | A | -3.2693 | |
| 90 | E | A | -2.5978 | |
| 91 | D | A | 0.0000 | |
| 92 | Q | A | -2.8609 | |
| 93 | K | A | -2.8528 | |
| 94 | V | A | 0.0000 | |
| 95 | I | A | -1.9290 | |
| 96 | E | A | -3.0139 | |
| 97 | L | A | 0.0000 | |
| 98 | V | A | 0.0000 | |
| 99 | K | A | -3.0530 | |
| 100 | K | A | -2.8780 | |
| 101 | Y | A | -1.7566 | |
| 102 | G | A | -1.8739 | |
| 103 | T | A | -1.9372 | |
| 104 | K | A | -2.2309 | |
| 105 | Q | A | -1.7055 | |
| 106 | W | A | -1.8774 | |
| 107 | T | A | -1.1966 | |
| 108 | L | A | -0.5868 | |
| 109 | I | A | 0.0000 | |
| 110 | A | A | 0.0000 | |
| 111 | K | A | -2.1099 | |
| 112 | H | A | -1.8146 | |
| 113 | L | A | 0.0000 | |
| 114 | K | A | -2.3895 | |
| 115 | G | A | -1.8441 | |
| 116 | R | A | 0.0000 | |
| 117 | L | A | -1.5897 | |
| 118 | G | A | -1.9609 | |
| 119 | K | A | -3.1669 | |
| 120 | Q | A | -2.3672 | |
| 121 | C | A | 0.0000 | |
| 122 | R | A | -3.9628 | |
| 123 | E | A | -3.7651 | |
| 124 | R | A | -2.4725 | |
| 125 | W | A | 0.0000 | |
| 126 | H | A | -2.4272 | |
| 127 | N | A | -2.3470 | |
| 128 | H | A | -1.9224 | |
| 129 | L | A | -1.2365 | |
| 130 | N | A | -1.2719 | |
| 131 | P | A | -1.7112 | |
| 132 | E | A | -2.6973 | |
| 133 | V | A | -2.3103 | |
| 134 | K | A | -2.7869 | |
| 135 | K | A | -2.6154 | |
| 136 | S | A | -1.0459 | |
| 137 | C | A | -0.0184 | |
| 138 | W | A | -0.5077 | |
| 139 | T | A | -1.2748 | |
| 140 | E | A | -2.6046 | |
| 141 | E | A | -2.4525 | |
| 142 | E | A | -1.6429 | |
| 143 | D | A | -1.7506 | |
| 144 | R | A | -1.8642 | |
| 145 | I | A | -1.0156 | |
| 146 | I | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | E | A | -1.1697 | |
| 149 | A | A | 0.0000 | |
| 150 | H | A | -1.3991 | |
| 151 | K | A | -1.4467 | |
| 152 | V | A | 0.2372 | |
| 153 | L | A | -0.6608 | |
| 154 | G | A | -1.4292 | |
| 155 | N | A | -2.3923 | |
| 156 | R | A | -2.4353 | |
| 157 | W | A | -2.2520 | |
| 158 | A | A | -1.7765 | |
| 159 | E | A | -1.9523 | |
| 160 | I | A | 0.0000 | |
| 161 | A | A | -1.6800 | |
| 162 | K | A | -2.0542 | |
| 163 | M | A | -0.7751 | |
| 164 | L | A | 0.0000 | |
| 165 | P | A | -1.1806 | |
| 166 | G | A | -1.7910 | |
| 167 | R | A | 0.0000 | |
| 168 | T | A | -1.7561 | |
| 169 | D | A | -2.3586 | |
| 170 | N | A | -1.7181 | |
| 171 | A | A | -1.4818 | |
| 172 | V | A | 0.0000 | |
| 173 | K | A | -2.4174 | |
| 174 | N | A | -2.3029 | |
| 175 | H | A | 0.0000 | |
| 176 | W | A | 0.0000 | |
| 177 | N | A | -2.4855 | |
| 178 | S | A | -1.8807 | |
| 179 | T | A | -1.6097 | |
| 180 | I | A | 0.0000 | |
| 181 | K | A | -2.6921 | |
| 182 | R | A | -3.5002 | |
| 183 | K | A | -2.3254 | |
| 184 | V | A | -1.2242 | |
| 185 | D | A | -2.6942 | |
| 186 | T | A | -1.5968 | |
| 187 | G | A | -0.6848 | |
| 188 | G | A | -0.4839 | |
| 189 | F | A | 0.3888 | |
| 190 | L | A | 1.1828 | |
| 191 | S | A | -0.5394 | |
| 192 | E | A | -2.1603 | |
| 193 | S | A | -2.2458 | |
| 194 | K | A | -3.1635 | |
| 195 | D | A | -3.0477 | |
| 196 | C | A | -1.8085 | |
| 197 | K | A | -1.9229 | |
| 198 | P | A | -0.4565 | |
| 199 | P | A | 0.7841 | |
| 200 | V | A | 2.2277 | |
| 201 | Y | A | 1.7207 | |
| 202 | L | A | 1.6865 | |
| 203 | L | A | 1.8575 | |
| 204 | L | A | 1.4020 | |
| 205 | E | A | -0.7401 | |
| 206 | L | A | -0.1729 | |
| 207 | E | A | -2.5142 | |
| 208 | D | A | -3.6544 | |
| 209 | K | A | -3.6014 | |
| 210 | D | A | -3.1826 | |
| 211 | G | A | -1.4813 | |
| 212 | L | A | 0.1423 | |
| 213 | Q | A | -0.7807 | |
| 214 | S | A | -0.7381 | |
| 215 | A | A | -0.7574 | |
| 216 | Q | A | -1.4791 | |
| 217 | P | A | -1.3114 | |
| 218 | T | A | -1.4291 | |
| 219 | E | A | -2.4081 | |
| 220 | G | A | -2.0496 | |
| 221 | Q | A | -2.1055 | |
| 222 | G | A | -0.8907 | |
| 223 | S | A | 0.3874 | |
| 224 | L | A | 2.0708 | |
| 225 | L | A | 1.9566 | |
| 226 | T | A | 0.6345 | |
| 227 | N | A | -0.4675 | |
| 228 | W | A | 0.3841 | |
| 229 | P | A | 0.2963 | |
| 230 | S | A | 0.7273 | |
| 231 | V | A | 1.4323 | |
| 232 | P | A | 0.3814 | |
| 233 | P | A | 0.4202 | |
| 234 | T | A | 0.3589 | |
| 235 | I | A | 0.7509 | |
| 236 | K | A | -2.1294 | |
| 237 | E | A | -3.5467 | |
| 238 | E | A | -4.1343 | |
| 239 | E | A | -3.7266 | |
| 240 | N | A | -2.9969 | |
| 241 | S | A | -2.5457 | |
| 242 | E | A | -3.4138 | |
| 243 | E | A | -3.4015 | |
| 244 | E | A | -2.4551 | |
| 245 | L | A | 0.3533 | |
| 246 | A | A | 0.5144 | |
| 247 | A | A | 0.4427 | |
| 248 | A | A | 0.0423 | |
| 249 | T | A | -0.1025 | |
| 250 | T | A | -0.5455 | |
| 251 | S | A | -1.4443 | |
| 252 | K | A | -2.9386 | |
| 253 | E | A | -3.6024 | |
| 254 | Q | A | -3.3368 | |
| 255 | E | A | -2.4496 | |
| 256 | P | A | -0.6521 | |
| 257 | I | A | 1.2676 | |
| 258 | G | A | -0.0013 | |
| 259 | T | A | -0.7289 | |
| 260 | D | A | -1.5744 | |
| 261 | L | A | -0.1060 | |
| 262 | D | A | -0.8727 | |
| 263 | A | A | 0.0740 | |
| 264 | V | A | 0.6538 | |
| 265 | R | A | -1.0831 | |
| 266 | T | A | -1.0416 | |
| 267 | P | A | -1.4838 | |
| 268 | E | A | -1.7907 | |
| 269 | P | A | -0.8515 | |
| 270 | L | A | -0.2850 | |
| 271 | E | A | -1.6338 | |
| 272 | E | A | -1.4427 | |
| 273 | F | A | 0.2877 | |
| 274 | P | A | -0.8539 | |
| 275 | K | A | -2.9995 | |
| 276 | R | A | -4.0902 | |
| 277 | E | A | -4.3443 | |
| 278 | D | A | -4.3055 | |
| 279 | Q | A | -3.4636 | |
| 280 | E | A | -3.0538 | |
| 281 | G | A | -1.9830 | |
| 282 | S | A | -1.2511 | |
| 283 | P | A | -1.0444 | |
| 284 | P | A | -1.4170 | |
| 285 | E | A | -1.9375 | |
| 286 | T | A | -0.8001 | |
| 287 | S | A | -0.1487 | |
| 288 | L | A | 1.1941 | |
| 289 | P | A | 0.7362 | |
| 290 | Y | A | 1.1853 | |
| 291 | K | A | 0.1776 | |
| 292 | W | A | 1.9485 | |
| 293 | V | A | 2.5399 | |
| 294 | V | A | 2.0980 | |
| 295 | E | A | -0.1953 | |
| 296 | A | A | -0.4852 | |
| 297 | A | A | -0.0328 | |
| 298 | N | A | 0.0826 | |
| 299 | L | A | 2.2711 | |
| 300 | L | A | 3.3772 | |
| 301 | I | A | 3.3360 | |
| 302 | P | A | 2.2741 | |
| 303 | A | A | 1.4808 | |
| 304 | V | A | 1.9868 | |
| 305 | G | A | 0.4632 | |
| 306 | S | A | -0.0926 | |
| 307 | S | A | 0.2192 | |
| 308 | L | A | 1.0634 | |
| 309 | S | A | -0.0781 | |
| 310 | E | A | -1.0280 | |
| 311 | A | A | 0.4397 | |
| 312 | L | A | 0.9696 | |
| 313 | D | A | -1.0136 | |
| 314 | L | A | 0.8113 | |
| 315 | I | A | 1.1581 | |
| 316 | E | A | -1.2730 | |
| 317 | S | A | -1.1377 | |
| 318 | D | A | -2.5133 | |
| 319 | P | A | -1.6134 | |
| 320 | D | A | -2.0630 | |
| 321 | A | A | -0.7688 | |
| 322 | W | A | 0.5595 | |
| 323 | C | A | 0.3624 | |
| 324 | D | A | -0.3463 | |
| 325 | L | A | 1.1142 | |
| 326 | S | A | -0.3677 | |
| 327 | K | A | -0.9841 | |
| 328 | F | A | 0.7231 | |
| 329 | D | A | -0.8618 | |
| 330 | L | A | 0.1821 | |
| 331 | P | A | -1.1293 | |
| 332 | E | A | -2.7477 | |
| 333 | E | A | -2.7384 | |
| 334 | P | A | -1.9018 | |
| 335 | S | A | -1.5625 | |
| 336 | A | A | -1.6015 | |
| 337 | E | A | -2.8071 | |
| 338 | D | A | -2.3815 | |
| 339 | S | A | -0.8170 | |
| 340 | I | A | 0.6576 | |
| 341 | N | A | -0.8786 | |
| 342 | N | A | -1.2573 | |
| 343 | S | A | 0.0240 | |
| 344 | L | A | 1.6430 | |
| 345 | V | A | 2.2437 | |
| 346 | Q | A | 0.4861 | |
| 347 | L | A | 0.7767 | |
| 348 | Q | A | -0.7201 | |
| 349 | A | A | -0.4980 | |
| 350 | S | A | -1.1721 | |
| 351 | H | A | -2.0176 | |
| 352 | Q | A | -2.6129 | |
| 353 | Q | A | -2.2784 | |
| 354 | Q | A | -0.9319 | |
| 355 | V | A | 1.7395 | |
| 356 | L | A | 2.0559 | |
| 357 | P | A | 0.3700 | |
| 358 | P | A | -1.2349 | |
| 359 | R | A | -2.6883 | |
| 360 | Q | A | -2.3739 | |
| 361 | P | A | -1.2991 | |
| 362 | S | A | -0.1900 | |
| 363 | A | A | 1.0103 | |
| 364 | L | A | 2.2895 | |
| 365 | V | A | 2.5176 | |
| 366 | P | A | 1.3910 | |
| 367 | S | A | 0.8452 | |
| 368 | V | A | 1.3975 | |
| 369 | T | A | -0.0526 | |
| 370 | E | A | -1.0987 | |
| 371 | Y | A | -0.0583 | |
| 372 | R | A | -1.5632 | |
| 373 | L | A | -0.3611 | |
| 374 | D | A | -1.7055 | |
| 375 | G | A | -1.1806 | |
| 376 | H | A | -1.2297 | |
| 377 | T | A | -0.0371 | |
| 378 | I | A | 1.1364 | |
| 379 | S | A | -0.2572 | |
| 380 | D | A | -1.2093 | |
| 381 | L | A | 0.4642 | |
| 382 | S | A | -0.7234 | |
| 383 | R | A | -2.2524 | |
| 384 | S | A | -1.7532 | |
| 385 | S | A | -1.9436 | |
| 386 | R | A | -2.7541 | |
| 387 | G | A | -1.7479 | |
| 388 | E | A | -1.3521 | |
| 389 | L | A | 1.4752 | |
| 390 | I | A | 2.6338 | |
| 391 | P | A | 1.8279 | |
| 392 | I | A | 2.3859 | |
| 393 | S | A | 0.5286 | |
| 394 | P | A | -0.2292 | |
| 395 | S | A | -0.7155 | |
| 396 | T | A | -0.8016 | |
| 397 | E | A | -1.1589 | |
| 398 | V | A | 0.4568 | |
| 399 | G | A | -0.2567 | |
| 400 | G | A | -0.7142 | |
| 401 | S | A | -0.3305 | |
| 402 | G | A | 0.1892 | |
| 403 | I | A | 1.5033 | |
| 404 | G | A | 0.3036 | |
| 405 | T | A | -0.1114 | |
| 406 | P | A | -0.3810 | |
| 407 | P | A | -0.0874 | |
| 408 | S | A | 0.5811 | |
| 409 | V | A | 1.9689 | |
| 410 | L | A | 0.8914 | |
| 411 | K | A | -1.7592 | |
| 412 | R | A | -3.2874 | |
| 413 | Q | A | -3.7965 | |
| 414 | R | A | -4.0700 | |
| 415 | K | A | -4.1478 | |
| 416 | R | A | -3.7954 | |
| 417 | R | A | -2.3007 | |
| 418 | V | A | 0.5848 | |
| 419 | A | A | 0.9376 | |
| 420 | L | A | 1.9743 | |
| 421 | S | A | 1.1416 | |
| 422 | P | A | 0.6130 | |
| 423 | V | A | 1.3477 | |
| 424 | T | A | -0.4645 | |
| 425 | E | A | -2.2016 | |
| 426 | N | A | -2.3214 | |
| 427 | S | A | -1.3018 | |
| 428 | T | A | -0.2022 | |
| 429 | S | A | 0.3949 | |
| 430 | L | A | 1.7693 | |
| 431 | S | A | 1.8879 | |
| 432 | F | A | 2.6592 | |
| 433 | L | A | 1.7385 | |
| 434 | D | A | -0.6119 | |
| 435 | S | A | -0.7928 | |
| 436 | C | A | -0.2613 | |
| 437 | N | A | -0.7636 | |
| 438 | S | A | -0.0379 | |
| 439 | L | A | 1.0852 | |
| 440 | T | A | 0.1128 | |
| 441 | P | A | -0.8141 | |
| 442 | K | A | -1.9623 | |
| 443 | S | A | -1.0203 | |
| 444 | T | A | -0.4174 | |
| 445 | P | A | 0.0710 | |
| 446 | V | A | 0.9510 | |
| 447 | K | A | -0.6035 | |
| 448 | T | A | 0.3910 | |
| 449 | L | A | 1.5901 | |
| 450 | P | A | 1.3634 | |
| 451 | F | A | 1.7891 | |
| 452 | S | A | 0.6542 | |
| 453 | P | A | 0.2895 | |
| 454 | S | A | 0.0549 | |
| 455 | Q | A | 0.2403 | |
| 456 | F | A | 2.0630 | |
| 457 | L | A | 2.1494 | |
| 458 | N | A | 0.7488 | |
| 459 | F | A | 2.0158 | |
| 460 | W | A | 0.8212 | |
| 461 | N | A | -1.9206 | |
| 462 | K | A | -2.8965 | |
| 463 | Q | A | -3.0735 | |
| 464 | D | A | -2.6598 | |
| 465 | T | A | -1.0546 | |
| 466 | L | A | 0.5648 | |
| 467 | E | A | -0.7485 | |
| 468 | L | A | -0.0533 | |
| 469 | E | A | -1.5542 | |
| 470 | S | A | -0.9280 | |
| 471 | P | A | -0.5880 | |
| 472 | S | A | 0.3209 | |
| 473 | L | A | 1.3007 | |
| 474 | T | A | 0.5154 | |
| 475 | S | A | 0.0107 | |
| 476 | T | A | 0.2314 | |
| 477 | P | A | 0.6446 | |
| 478 | V | A | 1.8134 | |
| 479 | C | A | 1.2714 | |
| 480 | S | A | -0.1336 | |
| 481 | Q | A | -1.4204 | |
| 482 | K | A | -0.7647 | |
| 483 | V | A | 1.7757 | |
| 484 | V | A | 3.0632 | |
| 485 | V | A | 2.8114 | |
| 486 | T | A | 1.1122 | |
| 487 | T | A | 0.4182 | |
| 488 | P | A | 0.2227 | |
| 489 | L | A | 0.3576 | |
| 490 | H | A | -1.5760 | |
| 491 | R | A | -3.3764 | |
| 492 | D | A | -3.7242 | |
| 493 | K | A | -3.0530 | |
| 494 | T | A | -1.0172 | |
| 495 | P | A | -0.1162 | |
| 496 | L | A | 0.6762 | |
| 497 | H | A | -1.3569 | |
| 498 | Q | A | -2.4321 | |
| 499 | K | A | -2.9520 | |
| 500 | H | A | -2.0200 | |
| 501 | A | A | -0.2711 | |
| 502 | A | A | 1.3080 | |
| 503 | F | A | 2.7931 | |
| 504 | V | A | 2.4141 | |
| 505 | T | A | 0.5834 | |
| 506 | P | A | -1.0546 | |
| 507 | D | A | -2.5706 | |
| 508 | Q | A | -2.6606 | |
| 509 | K | A | -2.0577 | |
| 510 | Y | A | -0.0463 | |
| 511 | S | A | -0.1374 | |
| 512 | M | A | -0.1066 | |
| 513 | D | A | -1.8540 | |
| 514 | N | A | -2.1175 | |
| 515 | T | A | -1.4295 | |
| 516 | P | A | -1.3286 | |
| 517 | H | A | -1.4112 | |
| 518 | T | A | -0.7790 | |
| 519 | P | A | -0.7765 | |
| 520 | T | A | -0.4455 | |
| 521 | P | A | -0.0261 | |
| 522 | F | A | 0.7974 | |
| 523 | K | A | -1.5048 | |
| 524 | N | A | -1.9173 | |
| 525 | A | A | -0.5715 | |
| 526 | L | A | 0.1258 | |
| 527 | E | A | -2.1564 | |
| 528 | K | A | -2.0700 | |
| 529 | Y | A | 0.2763 | |
| 530 | G | A | -0.3369 | |
| 531 | P | A | -0.1045 | |
| 532 | L | A | 1.0843 | |
| 533 | K | A | -0.8059 | |
| 534 | P | A | -0.2176 | |
| 535 | L | A | 0.7809 | |
| 536 | P | A | -0.4264 | |
| 537 | Q | A | -1.2649 | |
| 538 | T | A | -0.8612 | |
| 539 | P | A | -1.3611 | |
| 540 | H | A | -1.5425 | |
| 541 | L | A | -1.5780 | |
| 542 | E | A | -2.9062 | |
| 543 | E | A | -3.5700 | |
| 544 | D | A | -2.4982 | |
| 545 | L | A | -1.3469 | |
| 546 | K | A | -3.2790 | |
| 547 | E | A | -3.2945 | |
| 548 | V | A | -1.1696 | |
| 549 | L | A | -1.1867 | |
| 550 | R | A | -2.6833 | |
| 551 | S | A | -1.6986 | |
| 552 | E | A | -2.0617 | |
| 553 | A | A | -0.8063 | |
| 554 | G | A | -0.6135 | |
| 555 | I | A | 0.8913 | |
| 556 | E | A | 0.3109 | |
| 557 | L | A | 2.2006 | |
| 558 | I | A | 2.7683 | |
| 559 | I | A | 1.6220 | |
| 560 | E | A | -1.2699 | |
| 561 | D | A | -2.3354 | |
| 562 | D | A | -2.3123 | |
| 563 | I | A | -0.5238 | |
| 564 | R | A | -1.7314 | |
| 565 | P | A | -1.9916 | |
| 566 | E | A | -3.3886 | |
| 567 | K | A | -3.6018 | |
| 568 | Q | A | -3.6174 | |
| 569 | K | A | -3.9247 | |
| 570 | R | A | -3.8114 | |
| 571 | K | A | -3.1595 | |
| 572 | P | A | -1.3888 | |
| 573 | G | A | -0.5476 | |
| 574 | L | A | 0.0102 | |
| 575 | R | A | -2.1596 | |
| 576 | R | A | -2.3291 | |
| 577 | S | A | -1.3547 | |
| 578 | P | A | -0.6315 | |
| 579 | I | A | 0.5471 | |
| 580 | K | A | -1.3591 | |
| 581 | K | A | -1.8136 | |
| 582 | V | A | -0.5763 | |
| 583 | R | A | -2.3019 | |
| 584 | K | A | -1.9988 | |
| 585 | S | A | -0.2975 | |
| 586 | L | A | 0.9435 | |
| 587 | A | A | 1.0327 | |
| 588 | L | A | 1.7890 | |
| 589 | D | A | 0.3887 | |
| 590 | I | A | 1.7936 | |
| 591 | V | A | 0.9452 | |
| 592 | D | A | -1.7534 | |
| 593 | E | A | -2.5501 | |
| 594 | D | A | -2.2945 | |
| 595 | V | A | -0.0408 | |
| 596 | K | A | -0.0911 | |
| 597 | L | A | 1.4638 | |
| 598 | M | A | 2.0013 | |
| 599 | M | A | 1.7579 | |
| 600 | S | A | 0.8116 | |
| 601 | T | A | 0.8375 | |
| 602 | L | A | 1.0337 | |
| 603 | P | A | -0.3906 | |
| 604 | K | A | -1.3401 | |
| 605 | S | A | -0.5334 | |
| 606 | L | A | 1.3173 | |
| 607 | S | A | 1.3156 | |
| 608 | L | A | 1.6264 | |
| 609 | P | A | 0.5369 | |
| 610 | T | A | 0.1089 | |
| 611 | T | A | -0.1844 | |
| 612 | A | A | -0.1862 | |
| 613 | P | A | -0.5968 | |
| 614 | S | A | -0.9948 | |
| 615 | N | A | -1.5935 | |
| 616 | S | A | -1.1338 | |
| 617 | S | A | -0.3923 | |
| 618 | S | A | 0.4052 | |
| 619 | L | A | 1.6624 | |
| 620 | T | A | 1.3562 | |
| 621 | L | A | 1.5839 | |
| 622 | S | A | 0.8299 | |
| 623 | G | A | 0.4003 | |
| 624 | I | A | 0.5335 | |
| 625 | K | A | -2.1897 | |
| 626 | E | A | -3.4566 | |
| 627 | D | A | -3.7084 | |
| 628 | N | A | -2.2792 | |
| 629 | S | A | -0.3049 | |
| 630 | L | A | 1.3551 | |
| 631 | L | A | 1.0807 | |
| 632 | N | A | -0.7550 | |
| 633 | Q | A | -0.6592 | |
| 634 | G | A | 0.0826 | |
| 635 | F | A | 1.7188 | |
| 636 | L | A | 1.3831 | |
| 637 | Q | A | -0.5424 | |
| 638 | A | A | -0.9948 | |
| 639 | K | A | -2.6134 | |
| 640 | P | A | -2.4787 | |
| 641 | E | A | -3.2070 | |
| 642 | K | A | -2.7839 | |
| 643 | A | A | -0.8424 | |
| 644 | A | A | 0.4218 | |
| 645 | V | A | 1.5850 | |
| 646 | A | A | -0.0284 | |
| 647 | Q | A | -1.6949 | |
| 648 | K | A | -2.7587 | |
| 649 | P | A | -2.2699 | |
| 650 | R | A | -2.4298 | |
| 651 | S | A | -1.2042 | |
| 652 | H | A | -0.6556 | |
| 653 | F | A | 1.1109 | |
| 654 | T | A | 0.4999 | |
| 655 | T | A | 0.1267 | |
| 656 | P | A | 0.0413 | |
| 657 | A | A | -0.0047 | |
| 658 | P | A | 0.0545 | |
| 659 | M | A | 0.6560 | |
| 660 | S | A | 0.1472 | |
| 661 | S | A | -0.0807 | |
| 662 | A | A | 0.4640 | |
| 663 | W | A | 1.0925 | |
| 664 | K | A | -0.2168 | |
| 665 | T | A | 0.0842 | |
| 666 | V | A | 0.5768 | |
| 667 | A | A | 0.6679 | |
| 668 | C | A | 0.6117 | |
| 669 | G | A | -0.3221 | |
| 670 | G | A | -0.2856 | |
| 671 | T | A | -0.7577 | |
| 672 | R | A | -1.9884 | |
| 673 | D | A | -1.9381 | |
| 674 | Q | A | -1.0292 | |
| 675 | L | A | -0.1987 | |
| 676 | F | A | 0.2595 | |
| 677 | M | A | -0.5972 | |
| 678 | Q | A | -1.6767 | |
| 679 | E | A | -1.4136 | |
| 680 | K | A | -1.1760 | |
| 681 | A | A | -1.0627 | |
| 682 | R | A | -2.2331 | |
| 683 | Q | A | -1.5924 | |
| 684 | L | A | 0.0834 | |
| 685 | L | A | 0.4082 | |
| 686 | G | A | -0.9728 | |
| 687 | R | A | -1.3346 | |
| 688 | L | A | 0.2289 | |
| 689 | K | A | -1.5927 | |
| 690 | P | A | -1.1874 | |
| 691 | S | A | -1.0888 | |
| 692 | H | A | -1.6818 | |
| 693 | T | A | -1.2227 | |
| 694 | S | A | -0.8963 | |
| 695 | R | A | -1.4568 | |
| 696 | T | A | 0.6137 | |
| 697 | L | A | 2.3842 | |
| 698 | I | A | 3.1777 | |
| 699 | L | A | 2.8199 | |
| 700 | S | A | 1.2980 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.3239 | 5.9757 | View | CSV | PDB |
| 4.5 | -0.4287 | 5.9764 | View | CSV | PDB |
| 5.0 | -0.5581 | 5.9786 | View | CSV | PDB |
| 5.5 | -0.6848 | 5.9851 | View | CSV | PDB |
| 6.0 | -0.781 | 6.0022 | View | CSV | PDB |
| 6.5 | -0.8305 | 6.0379 | View | CSV | PDB |
| 7.0 | -0.8358 | 6.093 | View | CSV | PDB |
| 7.5 | -0.8116 | 6.16 | View | CSV | PDB |
| 8.0 | -0.7714 | 6.232 | View | CSV | PDB |
| 8.5 | -0.7196 | 6.3056 | View | CSV | PDB |
| 9.0 | -0.655 | 6.3795 | 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