| Chain sequence(s) |
A: MEELVVEVRGSNGAFYKAFVKDVHEDSITVAFENNWQPDRQIPFHDVRFPPPVGYNKDINESDEVEVYSRANEKEPCCWWLAKVRMIKGEFYVIEYAACDATYNEIVTIERLRSVNPNKPATKDTFHKIKLDVPEDLRQMCAKEAAHKDFKKAVGAFSVTYDPENYQLVILSINEVTSKRAHMLIDMHFRSLRTKLSLIMRNEEASKQLESSRQLASRFHEQFIVREDLMGLAIGTHGANIQQARKVPGVTAIDLDEDTCTFHIYGEDQDAVKKARSFLEFAEDVIQVPRNLVGKVIGKNGKLIQEIVDKSGVVRVRIEAENEKNVPQEEEIMPPNSLPSNNSRVGPNAPEEKKHLDIKENSTHFSQPNSTKVQRVLVASSVVAGESQKPELKAWQGMVPFVFVGTKDSIANATVLLDYHLNYLKEVDQLRLERLQIDEQLRQIGASSRPPPNRTDKEKSYVTDDGQGMGRGSRPYRNRGHGRRGPGYTSGTNSEASNASETESDHRDELSDWSLAPTEEERESFLRRGDGRRRGGGGRGQGGRGRGGGFKGNDDHSRTDNRPRNPREAKGRTTDGSLQIRVDCNNERSVHTKTLQNTSSEGSRLRTGKDRNQKKEKPDSVDGQQPLVNGVP
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b77c27349977bb0/tmp/folded.pdb (00:13:04)
[INFO] Main: Simulation completed successfully. (00:21:30)
|
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 | -0.5519 | |
| 2 | E | A | -1.8833 | |
| 3 | E | A | -2.0190 | |
| 4 | L | A | -0.5484 | |
| 5 | V | A | -0.1850 | |
| 6 | V | A | 0.0000 | |
| 7 | E | A | 0.0000 | |
| 8 | V | A | 0.0000 | |
| 9 | R | A | -1.4689 | |
| 10 | G | A | -0.9282 | |
| 11 | S | A | -0.8238 | |
| 12 | N | A | -0.8843 | |
| 13 | G | A | -0.8797 | |
| 14 | A | A | 0.0000 | |
| 15 | F | A | 0.0000 | |
| 16 | Y | A | 0.0000 | |
| 17 | K | A | -1.1388 | |
| 18 | A | A | 0.0000 | |
| 19 | F | A | -1.1451 | |
| 20 | V | A | 0.0000 | |
| 21 | K | A | -2.3971 | |
| 22 | D | A | -1.8054 | |
| 23 | V | A | 0.0000 | |
| 24 | H | A | -2.4286 | |
| 25 | E | A | -3.5069 | |
| 26 | D | A | -3.4852 | |
| 27 | S | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | T | A | -2.0609 | |
| 30 | V | A | 0.0000 | |
| 31 | A | A | -2.4082 | |
| 32 | F | A | 0.0000 | |
| 33 | E | A | -2.2896 | |
| 34 | N | A | -2.4191 | |
| 35 | N | A | -2.5988 | |
| 36 | W | A | -1.6997 | |
| 37 | Q | A | -1.7523 | |
| 38 | P | A | -2.0206 | |
| 39 | D | A | -3.3190 | |
| 40 | R | A | -3.1323 | |
| 41 | Q | A | -2.7210 | |
| 42 | I | A | 0.0000 | |
| 43 | P | A | -1.7825 | |
| 44 | F | A | 0.0000 | |
| 45 | H | A | -1.9587 | |
| 46 | D | A | -1.3795 | |
| 47 | V | A | 0.0000 | |
| 48 | R | A | 0.0000 | |
| 49 | F | A | 0.0320 | |
| 50 | P | A | 0.2140 | |
| 51 | P | A | 0.1909 | |
| 52 | P | A | 0.4723 | |
| 53 | V | A | 1.3733 | |
| 54 | G | A | -0.0646 | |
| 55 | Y | A | -0.4066 | |
| 56 | N | A | -2.2013 | |
| 57 | K | A | -3.1948 | |
| 58 | D | A | -3.1622 | |
| 59 | I | A | -2.3796 | |
| 60 | N | A | -3.0681 | |
| 61 | E | A | -3.2945 | |
| 62 | S | A | -2.7013 | |
| 63 | D | A | -3.1427 | |
| 64 | E | A | -2.9244 | |
| 65 | V | A | 0.0000 | |
| 66 | E | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | Y | A | 0.0302 | |
| 69 | S | A | 0.0000 | |
| 70 | R | A | -2.0403 | |
| 71 | A | A | -1.6095 | |
| 72 | N | A | -2.4492 | |
| 73 | E | A | -3.2691 | |
| 74 | K | A | -3.0303 | |
| 75 | E | A | -2.1804 | |
| 76 | P | A | -1.6532 | |
| 77 | C | A | -0.9427 | |
| 78 | C | A | 0.0000 | |
| 79 | W | A | 0.0130 | |
| 80 | W | A | 0.0000 | |
| 81 | L | A | -0.0151 | |
| 82 | A | A | 0.0000 | |
| 83 | K | A | -2.6678 | |
| 84 | V | A | 0.0000 | |
| 85 | R | A | -2.8557 | |
| 86 | M | A | -1.0809 | |
| 87 | I | A | -0.8495 | |
| 88 | K | A | -1.4921 | |
| 89 | G | A | -1.5414 | |
| 90 | E | A | -1.6416 | |
| 91 | F | A | 0.7808 | |
| 92 | Y | A | 0.2568 | |
| 93 | V | A | 0.1210 | |
| 94 | I | A | 0.0000 | |
| 95 | E | A | -0.9525 | |
| 96 | Y | A | 0.0000 | |
| 97 | A | A | -0.3240 | |
| 98 | A | A | -0.0786 | |
| 99 | C | A | -0.3224 | |
| 100 | D | A | -1.4228 | |
| 101 | A | A | -0.5883 | |
| 102 | T | A | -0.2578 | |
| 103 | Y | A | 0.3385 | |
| 104 | N | A | -0.5814 | |
| 105 | E | A | 0.6245 | |
| 106 | I | A | 1.9066 | |
| 107 | V | A | 0.0000 | |
| 108 | T | A | 0.2086 | |
| 109 | I | A | 0.0212 | |
| 110 | E | A | -1.6590 | |
| 111 | R | A | -0.7971 | |
| 112 | L | A | 0.0000 | |
| 113 | R | A | -1.0224 | |
| 114 | S | A | -1.3035 | |
| 115 | V | A | -0.3100 | |
| 116 | N | A | 0.0000 | |
| 117 | P | A | -0.5476 | |
| 118 | N | A | -1.1187 | |
| 119 | K | A | -2.0468 | |
| 120 | P | A | -1.4482 | |
| 121 | A | A | -1.4710 | |
| 122 | T | A | -2.2524 | |
| 123 | K | A | -3.6259 | |
| 124 | D | A | -3.0976 | |
| 125 | T | A | -1.5857 | |
| 126 | F | A | 0.0000 | |
| 127 | H | A | -1.5478 | |
| 128 | K | A | -1.4453 | |
| 129 | I | A | 0.0000 | |
| 130 | K | A | -1.9331 | |
| 131 | L | A | 0.0000 | |
| 132 | D | A | -2.3043 | |
| 133 | V | A | 0.0000 | |
| 134 | P | A | -1.7191 | |
| 135 | E | A | -2.8689 | |
| 136 | D | A | -2.6594 | |
| 137 | L | A | 0.0000 | |
| 138 | R | A | -2.2893 | |
| 139 | Q | A | -2.2279 | |
| 140 | M | A | -1.9365 | |
| 141 | C | A | 0.0000 | |
| 142 | A | A | -1.7050 | |
| 143 | K | A | -2.7825 | |
| 144 | E | A | -2.6827 | |
| 145 | A | A | -1.8465 | |
| 146 | A | A | -1.8304 | |
| 147 | H | A | 0.0000 | |
| 148 | K | A | -2.6092 | |
| 149 | D | A | -2.9635 | |
| 150 | F | A | 0.0000 | |
| 151 | K | A | -1.9461 | |
| 152 | K | A | -2.7139 | |
| 153 | A | A | -1.6097 | |
| 154 | V | A | 0.0000 | |
| 155 | G | A | -1.0462 | |
| 156 | A | A | 0.0000 | |
| 157 | F | A | -0.8980 | |
| 158 | S | A | -1.3246 | |
| 159 | V | A | 0.0000 | |
| 160 | T | A | -1.1411 | |
| 161 | Y | A | -1.4639 | |
| 162 | D | A | -1.3278 | |
| 163 | P | A | -1.3904 | |
| 164 | E | A | -2.1646 | |
| 165 | N | A | -1.9051 | |
| 166 | Y | A | -1.2657 | |
| 167 | Q | A | -1.5830 | |
| 168 | L | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | S | A | 0.0000 | |
| 173 | I | A | -0.0401 | |
| 174 | N | A | -0.8409 | |
| 175 | E | A | -1.8769 | |
| 176 | V | A | 0.0179 | |
| 177 | T | A | 0.0000 | |
| 178 | S | A | -1.5426 | |
| 179 | K | A | -1.8774 | |
| 180 | R | A | -1.1950 | |
| 181 | A | A | 0.0000 | |
| 182 | H | A | -1.4343 | |
| 183 | M | A | -0.2556 | |
| 184 | L | A | 0.0320 | |
| 185 | I | A | -0.4633 | |
| 186 | D | A | -0.8234 | |
| 187 | M | A | -0.1529 | |
| 188 | H | A | 0.0000 | |
| 189 | F | A | -1.2048 | |
| 190 | R | A | -2.2180 | |
| 191 | S | A | -1.4535 | |
| 192 | L | A | 0.0000 | |
| 193 | R | A | -1.7290 | |
| 194 | T | A | -1.0125 | |
| 195 | K | A | -0.7421 | |
| 196 | L | A | -0.6727 | |
| 197 | S | A | -0.0544 | |
| 198 | L | A | 0.2069 | |
| 199 | I | A | -0.3154 | |
| 200 | M | A | -0.9267 | |
| 201 | R | A | -2.6929 | |
| 202 | N | A | -2.9913 | |
| 203 | E | A | -3.4032 | |
| 204 | E | A | -4.0624 | |
| 205 | A | A | -2.9926 | |
| 206 | S | A | -2.9938 | |
| 207 | K | A | -4.1673 | |
| 208 | Q | A | -3.2501 | |
| 209 | L | A | -1.7961 | |
| 210 | E | A | -3.3368 | |
| 211 | S | A | -2.4089 | |
| 212 | S | A | -2.0188 | |
| 213 | R | A | -3.2411 | |
| 214 | Q | A | -2.8946 | |
| 215 | L | A | -1.6223 | |
| 216 | A | A | -1.5119 | |
| 217 | S | A | -1.7453 | |
| 218 | R | A | -2.4574 | |
| 219 | F | A | -1.2046 | |
| 220 | H | A | -1.2903 | |
| 221 | E | A | -1.2577 | |
| 222 | Q | A | -1.4508 | |
| 223 | F | A | 0.0000 | |
| 224 | I | A | 1.1200 | |
| 225 | V | A | 0.0000 | |
| 226 | R | A | -2.3279 | |
| 227 | E | A | -3.4437 | |
| 228 | D | A | -3.0846 | |
| 229 | L | A | 0.0000 | |
| 230 | M | A | -1.3377 | |
| 231 | G | A | -1.0209 | |
| 232 | L | A | 0.1393 | |
| 233 | A | A | 0.0000 | |
| 234 | I | A | 0.1335 | |
| 235 | G | A | -0.2398 | |
| 236 | T | A | -0.6657 | |
| 237 | H | A | -1.1242 | |
| 238 | G | A | -0.6920 | |
| 239 | A | A | -0.7956 | |
| 240 | N | A | -0.9023 | |
| 241 | I | A | -1.1735 | |
| 242 | Q | A | -1.9795 | |
| 243 | Q | A | -1.9985 | |
| 244 | A | A | 0.0000 | |
| 245 | R | A | -2.8744 | |
| 246 | K | A | -2.8909 | |
| 247 | V | A | 0.0000 | |
| 248 | P | A | -1.5316 | |
| 249 | G | A | -1.4336 | |
| 250 | V | A | -1.3781 | |
| 251 | T | A | -0.7198 | |
| 252 | A | A | -0.8700 | |
| 253 | I | A | 0.0000 | |
| 254 | D | A | -2.3070 | |
| 255 | L | A | -1.5859 | |
| 256 | D | A | -2.3255 | |
| 257 | E | A | -3.4111 | |
| 258 | D | A | -3.0860 | |
| 259 | T | A | -1.6552 | |
| 260 | C | A | -1.4634 | |
| 261 | T | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | H | A | -1.2567 | |
| 264 | I | A | 0.0000 | |
| 265 | Y | A | -1.0259 | |
| 266 | G | A | 0.0000 | |
| 267 | E | A | -2.0699 | |
| 268 | D | A | -2.6122 | |
| 269 | Q | A | -2.5749 | |
| 270 | D | A | -3.2313 | |
| 271 | A | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | K | A | -3.0398 | |
| 274 | K | A | -2.5141 | |
| 275 | A | A | 0.0000 | |
| 276 | R | A | -1.8965 | |
| 277 | S | A | -1.5729 | |
| 278 | F | A | -0.8330 | |
| 279 | L | A | 0.0000 | |
| 280 | E | A | -0.8685 | |
| 281 | F | A | 0.0000 | |
| 282 | A | A | -1.1925 | |
| 283 | E | A | -1.3475 | |
| 284 | D | A | -1.1027 | |
| 285 | V | A | -0.0549 | |
| 286 | I | A | 0.1070 | |
| 287 | Q | A | -0.4328 | |
| 288 | V | A | 0.0000 | |
| 289 | P | A | -1.4506 | |
| 290 | R | A | -2.8432 | |
| 291 | N | A | -2.3731 | |
| 292 | L | A | 0.0000 | |
| 293 | V | A | -1.1907 | |
| 294 | G | A | -1.6742 | |
| 295 | K | A | -1.5225 | |
| 296 | V | A | 0.0000 | |
| 297 | I | A | -1.1120 | |
| 298 | G | A | -2.0437 | |
| 299 | K | A | -2.9184 | |
| 300 | N | A | -2.6228 | |
| 301 | G | A | 0.0000 | |
| 302 | K | A | -2.7510 | |
| 303 | L | A | -1.8664 | |
| 304 | I | A | 0.0000 | |
| 305 | Q | A | -2.2742 | |
| 306 | E | A | -2.6860 | |
| 307 | I | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | D | A | -2.9832 | |
| 310 | K | A | -3.0306 | |
| 311 | S | A | 0.0000 | |
| 312 | G | A | -1.7709 | |
| 313 | V | A | 0.0000 | |
| 314 | V | A | 0.5197 | |
| 315 | R | A | -1.0245 | |
| 316 | V | A | 0.0000 | |
| 317 | R | A | -1.0396 | |
| 318 | I | A | -0.6312 | |
| 319 | E | A | -2.0060 | |
| 320 | A | A | -2.2173 | |
| 321 | E | A | -3.8115 | |
| 322 | N | A | -3.8510 | |
| 323 | E | A | -3.7128 | |
| 324 | K | A | -3.4288 | |
| 325 | N | A | -2.3745 | |
| 326 | V | A | -0.5060 | |
| 327 | P | A | -1.3734 | |
| 328 | Q | A | -2.7524 | |
| 329 | E | A | -3.3847 | |
| 330 | E | A | -3.1602 | |
| 331 | E | A | -2.2139 | |
| 332 | I | A | 0.6971 | |
| 333 | M | A | 0.9393 | |
| 334 | P | A | 0.0783 | |
| 335 | P | A | -0.3905 | |
| 336 | N | A | -1.1221 | |
| 337 | S | A | -0.2417 | |
| 338 | L | A | 0.9682 | |
| 339 | P | A | 0.2132 | |
| 340 | S | A | -0.8734 | |
| 341 | N | A | -2.0958 | |
| 342 | N | A | -2.4810 | |
| 343 | S | A | -1.8539 | |
| 344 | R | A | -1.5260 | |
| 345 | V | A | 0.5423 | |
| 346 | G | A | -0.2512 | |
| 347 | P | A | -0.7234 | |
| 348 | N | A | -1.5132 | |
| 349 | A | A | -1.1278 | |
| 350 | P | A | -1.7220 | |
| 351 | E | A | -3.1680 | |
| 352 | E | A | -4.0059 | |
| 353 | K | A | -4.0924 | |
| 354 | K | A | -3.0363 | |
| 355 | H | A | -1.9356 | |
| 356 | L | A | 0.2525 | |
| 357 | D | A | -0.6914 | |
| 358 | I | A | 0.2486 | |
| 359 | K | A | -2.3668 | |
| 360 | E | A | -2.8902 | |
| 361 | N | A | -2.7746 | |
| 362 | S | A | -1.3080 | |
| 363 | T | A | -0.4879 | |
| 364 | H | A | -0.4663 | |
| 365 | F | A | 1.0192 | |
| 366 | S | A | -0.3520 | |
| 367 | Q | A | -1.4804 | |
| 368 | P | A | -1.3733 | |
| 369 | N | A | -2.1023 | |
| 370 | S | A | -1.3953 | |
| 371 | T | A | -1.0577 | |
| 372 | K | A | -1.6755 | |
| 373 | V | A | 0.0808 | |
| 374 | Q | A | -0.9715 | |
| 375 | R | A | -0.6547 | |
| 376 | V | A | 2.0686 | |
| 377 | L | A | 2.5961 | |
| 378 | V | A | 2.7885 | |
| 379 | A | A | 1.7142 | |
| 380 | S | A | 0.7518 | |
| 381 | S | A | 1.0047 | |
| 382 | V | A | 2.4819 | |
| 383 | V | A | 2.5447 | |
| 384 | A | A | 0.6876 | |
| 385 | G | A | -0.9298 | |
| 386 | E | A | -2.6084 | |
| 387 | S | A | -2.1914 | |
| 388 | Q | A | -2.9582 | |
| 389 | K | A | -2.8998 | |
| 390 | P | A | -2.1912 | |
| 391 | E | A | -2.2441 | |
| 392 | L | A | -0.3407 | |
| 393 | K | A | -1.6584 | |
| 394 | A | A | -0.6655 | |
| 395 | W | A | 0.0569 | |
| 396 | Q | A | -1.4608 | |
| 397 | G | A | -1.8220 | |
| 398 | M | A | -1.0295 | |
| 399 | V | A | 0.0000 | |
| 400 | P | A | -0.8432 | |
| 401 | F | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | F | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | G | A | 0.0000 | |
| 406 | T | A | -1.0854 | |
| 407 | K | A | -2.3646 | |
| 408 | D | A | -2.5474 | |
| 409 | S | A | 0.0000 | |
| 410 | I | A | 0.0000 | |
| 411 | A | A | -1.0691 | |
| 412 | N | A | -1.2496 | |
| 413 | A | A | 0.0000 | |
| 414 | T | A | 0.2102 | |
| 415 | V | A | 1.1163 | |
| 416 | L | A | 0.4298 | |
| 417 | L | A | 0.0000 | |
| 418 | D | A | 0.4827 | |
| 419 | Y | A | 1.4886 | |
| 420 | H | A | 0.3072 | |
| 421 | L | A | -0.1498 | |
| 422 | N | A | -0.7721 | |
| 423 | Y | A | 0.1237 | |
| 424 | L | A | -0.7134 | |
| 425 | K | A | -2.5775 | |
| 426 | E | A | -2.2133 | |
| 427 | V | A | -0.6971 | |
| 428 | D | A | -1.8753 | |
| 429 | Q | A | -1.9681 | |
| 430 | L | A | -0.9920 | |
| 431 | R | A | -1.9242 | |
| 432 | L | A | -0.4569 | |
| 433 | E | A | -1.4807 | |
| 434 | R | A | -2.0050 | |
| 435 | L | A | -0.4954 | |
| 436 | Q | A | -1.1473 | |
| 437 | I | A | -0.0936 | |
| 438 | D | A | -1.1015 | |
| 439 | E | A | -1.5017 | |
| 440 | Q | A | -0.8768 | |
| 441 | L | A | 0.2610 | |
| 442 | R | A | -1.8280 | |
| 443 | Q | A | -1.2384 | |
| 444 | I | A | 0.5750 | |
| 445 | G | A | -0.5132 | |
| 446 | A | A | -0.8016 | |
| 447 | S | A | -0.8173 | |
| 448 | S | A | -1.0201 | |
| 449 | R | A | -2.2339 | |
| 450 | P | A | -1.5480 | |
| 451 | P | A | -1.2762 | |
| 452 | P | A | -1.6737 | |
| 453 | N | A | -2.3838 | |
| 454 | R | A | -2.9268 | |
| 455 | T | A | -2.5701 | |
| 456 | D | A | -3.4294 | |
| 457 | K | A | -3.8651 | |
| 458 | E | A | -3.9491 | |
| 459 | K | A | -2.7445 | |
| 460 | S | A | -0.2961 | |
| 461 | Y | A | 1.6390 | |
| 462 | V | A | 1.7049 | |
| 463 | T | A | -0.2090 | |
| 464 | D | A | -2.6183 | |
| 465 | D | A | -3.1072 | |
| 466 | G | A | -2.4925 | |
| 467 | Q | A | -2.0401 | |
| 468 | G | A | -0.6621 | |
| 469 | M | A | -0.0756 | |
| 470 | G | A | -1.1599 | |
| 471 | R | A | -2.1318 | |
| 472 | G | A | -1.9384 | |
| 473 | S | A | -1.8077 | |
| 474 | R | A | -1.9220 | |
| 475 | P | A | -1.0084 | |
| 476 | Y | A | -0.2941 | |
| 477 | R | A | -2.2835 | |
| 478 | N | A | -3.1896 | |
| 479 | R | A | -3.4052 | |
| 480 | G | A | -2.5243 | |
| 481 | H | A | -2.4145 | |
| 482 | G | A | -2.5618 | |
| 483 | R | A | -3.3544 | |
| 484 | R | A | -3.1623 | |
| 485 | G | A | -2.2029 | |
| 486 | P | A | -0.8934 | |
| 487 | G | A | 0.0615 | |
| 488 | Y | A | 0.9137 | |
| 489 | T | A | 0.2185 | |
| 490 | S | A | -0.2604 | |
| 491 | G | A | -0.8957 | |
| 492 | T | A | -1.0267 | |
| 493 | N | A | -1.9592 | |
| 494 | S | A | -1.8116 | |
| 495 | E | A | -2.3755 | |
| 496 | A | A | -1.2125 | |
| 497 | S | A | -1.1759 | |
| 498 | N | A | -1.7761 | |
| 499 | A | A | -1.1899 | |
| 500 | S | A | -1.7275 | |
| 501 | E | A | -2.5826 | |
| 502 | T | A | -2.3781 | |
| 503 | E | A | -3.2676 | |
| 504 | S | A | -2.8243 | |
| 505 | D | A | -3.9088 | |
| 506 | H | A | -3.7916 | |
| 507 | R | A | -4.0515 | |
| 508 | D | A | -3.9858 | |
| 509 | E | A | -3.2565 | |
| 510 | L | A | -0.7906 | |
| 511 | S | A | -1.3424 | |
| 512 | D | A | -1.3418 | |
| 513 | W | A | 0.6720 | |
| 514 | S | A | 0.4687 | |
| 515 | L | A | 1.3189 | |
| 516 | A | A | 0.4074 | |
| 517 | P | A | -0.6191 | |
| 518 | T | A | -1.6263 | |
| 519 | E | A | -3.6459 | |
| 520 | E | A | -4.3057 | |
| 521 | E | A | -4.5642 | |
| 522 | R | A | -4.2340 | |
| 523 | E | A | -3.0027 | |
| 524 | S | A | -0.4341 | |
| 525 | F | A | 1.5881 | |
| 526 | L | A | 1.2148 | |
| 527 | R | A | -1.7292 | |
| 528 | R | A | -3.0791 | |
| 529 | G | A | -2.8683 | |
| 530 | D | A | -3.0513 | |
| 531 | G | A | -2.6879 | |
| 532 | R | A | -3.7451 | |
| 533 | R | A | -3.9658 | |
| 534 | R | A | -3.6407 | |
| 535 | G | A | -2.1427 | |
| 536 | G | A | -1.7034 | |
| 537 | G | A | -1.6161 | |
| 538 | G | A | -1.7826 | |
| 539 | R | A | -2.6370 | |
| 540 | G | A | -2.1312 | |
| 541 | Q | A | -2.1338 | |
| 542 | G | A | -1.7592 | |
| 543 | G | A | -1.9014 | |
| 544 | R | A | -2.8097 | |
| 545 | G | A | -2.6128 | |
| 546 | R | A | -2.8482 | |
| 547 | G | A | -1.8161 | |
| 548 | G | A | -0.9569 | |
| 549 | G | A | -0.1651 | |
| 550 | F | A | 0.3967 | |
| 551 | K | A | -1.2070 | |
| 552 | G | A | -1.9557 | |
| 553 | N | A | -2.9200 | |
| 554 | D | A | -3.7194 | |
| 555 | D | A | -3.5765 | |
| 556 | H | A | -2.7291 | |
| 557 | S | A | -2.0276 | |
| 558 | R | A | -2.6034 | |
| 559 | T | A | -2.3408 | |
| 560 | D | A | -3.2181 | |
| 561 | N | A | -3.0877 | |
| 562 | R | A | -3.3454 | |
| 563 | P | A | -2.7116 | |
| 564 | R | A | -3.0424 | |
| 565 | N | A | -2.7486 | |
| 566 | P | A | -2.5086 | |
| 567 | R | A | -3.1072 | |
| 568 | E | A | -3.0915 | |
| 569 | A | A | -2.2948 | |
| 570 | K | A | -2.7721 | |
| 571 | G | A | -2.1906 | |
| 572 | R | A | -2.7458 | |
| 573 | T | A | -1.6922 | |
| 574 | T | A | -1.5643 | |
| 575 | D | A | -2.1475 | |
| 576 | G | A | -1.2596 | |
| 577 | S | A | -0.7163 | |
| 578 | L | A | 0.1948 | |
| 579 | Q | A | -1.0626 | |
| 580 | I | A | -1.1761 | |
| 581 | R | A | -2.0306 | |
| 582 | V | A | -1.4024 | |
| 583 | D | A | -2.3962 | |
| 584 | C | A | -1.3237 | |
| 585 | N | A | -2.6404 | |
| 586 | N | A | -3.3013 | |
| 587 | E | A | -3.5995 | |
| 588 | R | A | -2.9035 | |
| 589 | S | A | -1.0993 | |
| 590 | V | A | 0.3334 | |
| 591 | H | A | -0.6710 | |
| 592 | T | A | -0.8131 | |
| 593 | K | A | -1.5301 | |
| 594 | T | A | -0.7183 | |
| 595 | L | A | 0.1437 | |
| 596 | Q | A | -1.3026 | |
| 597 | N | A | -1.5675 | |
| 598 | T | A | -1.1869 | |
| 599 | S | A | -1.3405 | |
| 600 | S | A | -1.5489 | |
| 601 | E | A | -2.4754 | |
| 602 | G | A | -2.0097 | |
| 603 | S | A | -1.4948 | |
| 604 | R | A | -1.9579 | |
| 605 | L | A | -0.3419 | |
| 606 | R | A | -1.8615 | |
| 607 | T | A | -1.4685 | |
| 608 | G | A | -1.9873 | |
| 609 | K | A | -3.4106 | |
| 610 | D | A | -3.8865 | |
| 611 | R | A | -3.9743 | |
| 612 | N | A | -3.4684 | |
| 613 | Q | A | -3.4173 | |
| 614 | K | A | -3.7813 | |
| 615 | K | A | -4.0665 | |
| 616 | E | A | -3.9116 | |
| 617 | K | A | -3.5052 | |
| 618 | P | A | -2.6089 | |
| 619 | D | A | -2.0942 | |
| 620 | S | A | -0.6642 | |
| 621 | V | A | 0.3732 | |
| 622 | D | A | -1.6080 | |
| 623 | G | A | -1.7939 | |
| 624 | Q | A | -2.5332 | |
| 625 | Q | A | -1.9725 | |
| 626 | P | A | 0.0634 | |
| 627 | L | A | 1.9021 | |
| 628 | V | A | 1.8523 | |
| 629 | N | A | 0.0240 | |
| 630 | G | A | 0.0543 | |
| 631 | V | A | 1.1380 | |
| 632 | P | A | 0.6124 |
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 | -1.1597 | 3.6516 | View | CSV | PDB |
| 4.5 | -1.2659 | 3.533 | View | CSV | PDB |
| 5.0 | -1.3997 | 3.4768 | View | CSV | PDB |
| 5.5 | -1.5366 | 3.4183 | View | CSV | PDB |
| 6.0 | -1.6509 | 3.3667 | View | CSV | PDB |
| 6.5 | -1.7241 | 3.3305 | View | CSV | PDB |
| 7.0 | -1.7544 | 3.3119 | View | CSV | PDB |
| 7.5 | -1.7548 | 3.3044 | View | CSV | PDB |
| 8.0 | -1.7387 | 3.3019 | View | CSV | PDB |
| 8.5 | -1.7107 | 3.4225 | View | CSV | PDB |
| 9.0 | -1.6695 | 3.7051 | 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