| Chain sequence(s) |
A: MWSWKCLLFWAVLVTATLCTARPSPTLPEQAQPWGAPVEVESFLVHPGDLLQLRCRLRDDVQSINWLRDGVQLAESNRTRITGEEVEVQDSVPADSGLYACVTSSPSGSDTTYFSVNVSDALPSSEDDDDDDDSSSEEKETDNTKPNRMPVAPYWTSPEKMEKKLHAVPAAKTVKFKCPSSGTPNPTLRWLKNGKEFKPDHRIGGYKVRYATWSIIMDSVVPSDKGNYTCIVENEYGSINHTYQLDVVERSPHRPILQAGLPANKTVALGSNVEFMCKVYSDPQPHIQWLKHIEVNGSKIGPDNLPYVQILKTAGVNTTDKEMEVLHLRNVSFEDAGEYTCLAGNSIGLSHHSAWLTVLEALEERPAVMTSPLYLEIIIYCTGAFLISCMVGSVIVYKMKSGTKKSDFHSQMAVHKLAKSIPLRRQVTVSADSSASMNSGVLLVRPSRLSSSGTPMLAGVSEYELPEDPRWELPRDRLVLGKPLGEGCFGQVVLAEAIGLDKDKPNRVTKVAVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIVEYASKGNLREYLQARRPPGLEYCYNPSHNPEEQLSSKDLVSCAYQVARGMEYLASKKCIHRDLAARNVLVTEDNVMKIADFGLARDIHHIDYYKKTTNGRLPVKWMAPEALFDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKPSNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSNQEYLDLSMPLDQYSPSFPDTRSSTCSSGEDSVFSHEPLPEEPCLPRHPAQLANGGLKRR
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 |
| Mutated residues | SP96A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 4.48769 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] FoldX: Building mutant model (00:18:51)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/827e1d0a4bf4fd5/tmp/folded.pdb (00:19:05)
[INFO] Main: Simulation completed successfully. (00:32:32)
|
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 | 1.7474 | |
| 2 | W | A | 1.8741 | |
| 3 | S | A | 1.0689 | |
| 4 | W | A | 1.6626 | |
| 5 | K | A | 0.4776 | |
| 6 | C | A | 2.2772 | |
| 7 | L | A | 3.3153 | |
| 8 | L | A | 3.2399 | |
| 9 | F | A | 4.0342 | |
| 10 | W | A | 3.7038 | |
| 11 | A | A | 3.1452 | |
| 12 | V | A | 3.6706 | |
| 13 | L | A | 3.2448 | |
| 14 | V | A | 2.5831 | |
| 15 | T | A | 1.8721 | |
| 16 | A | A | 1.7284 | |
| 17 | T | A | 1.5358 | |
| 18 | L | A | 2.0940 | |
| 19 | C | A | 1.2232 | |
| 20 | T | A | 0.0606 | |
| 21 | A | A | -0.4487 | |
| 22 | R | A | -1.9434 | |
| 23 | P | A | -1.3202 | |
| 24 | S | A | -0.7403 | |
| 25 | P | A | -0.3111 | |
| 26 | T | A | 0.0818 | |
| 27 | L | A | 0.6019 | |
| 28 | P | A | -0.7858 | |
| 29 | E | A | -2.2510 | |
| 30 | Q | A | -2.2705 | |
| 31 | A | A | -1.6310 | |
| 32 | Q | A | -1.5825 | |
| 33 | P | A | -0.5128 | |
| 34 | W | A | 0.4738 | |
| 35 | G | A | 0.1041 | |
| 36 | A | A | 0.0145 | |
| 37 | P | A | 0.2919 | |
| 38 | V | A | 0.9779 | |
| 39 | E | A | -0.6705 | |
| 40 | V | A | 0.4288 | |
| 41 | E | A | -0.5885 | |
| 42 | S | A | -0.1909 | |
| 43 | F | A | 0.4314 | |
| 44 | L | A | 0.8544 | |
| 45 | V | A | -0.4504 | |
| 46 | H | A | -1.4981 | |
| 47 | P | A | -1.8497 | |
| 48 | G | A | -2.2669 | |
| 49 | D | A | -2.6877 | |
| 50 | L | A | -1.6906 | |
| 51 | L | A | 0.0000 | |
| 52 | Q | A | -2.1335 | |
| 53 | L | A | 0.0000 | |
| 54 | R | A | -3.1095 | |
| 55 | C | A | 0.0000 | |
| 56 | R | A | -2.7303 | |
| 57 | L | A | -2.0397 | |
| 58 | R | A | -2.6458 | |
| 59 | D | A | -2.4862 | |
| 60 | D | A | -1.8234 | |
| 61 | V | A | -1.5135 | |
| 62 | Q | A | -1.5415 | |
| 63 | S | A | -0.8465 | |
| 64 | I | A | -0.5507 | |
| 65 | N | A | -0.6774 | |
| 66 | W | A | 0.0000 | |
| 67 | L | A | -0.3567 | |
| 68 | R | A | -0.8520 | |
| 69 | D | A | -1.6182 | |
| 70 | G | A | -0.7209 | |
| 71 | V | A | 0.3918 | |
| 72 | Q | A | -0.9593 | |
| 73 | L | A | -0.9425 | |
| 74 | A | A | -1.0935 | |
| 75 | E | A | -2.8494 | |
| 76 | S | A | -2.2868 | |
| 77 | N | A | -2.4357 | |
| 78 | R | A | -2.6461 | |
| 79 | T | A | 0.0000 | |
| 80 | R | A | -3.0218 | |
| 81 | I | A | -1.6987 | |
| 82 | T | A | -1.3517 | |
| 83 | G | A | -1.3232 | |
| 84 | E | A | -2.3435 | |
| 85 | E | A | -2.5725 | |
| 86 | V | A | 0.0000 | |
| 87 | E | A | -2.3815 | |
| 88 | V | A | 0.0000 | |
| 89 | Q | A | -2.9655 | |
| 90 | D | A | -2.9767 | |
| 91 | S | A | 0.0000 | |
| 92 | V | A | -0.6118 | |
| 93 | P | A | -0.4850 | |
| 94 | A | A | -0.0112 | |
| 95 | D | A | 0.0000 | |
| 96 | P | A | -0.3199 | mutated: SP96A |
| 97 | G | A | -0.6948 | |
| 98 | L | A | -0.2338 | |
| 99 | Y | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | C | A | 0.0000 | |
| 102 | V | A | -0.2140 | |
| 103 | T | A | 0.0000 | |
| 104 | S | A | -1.1407 | |
| 105 | S | A | -1.4005 | |
| 106 | P | A | -0.7470 | |
| 107 | S | A | -0.9102 | |
| 108 | G | A | -1.0407 | |
| 109 | S | A | -1.3146 | |
| 110 | D | A | -2.0973 | |
| 111 | T | A | -0.8993 | |
| 112 | T | A | -0.6368 | |
| 113 | Y | A | 0.5874 | |
| 114 | F | A | 0.0000 | |
| 115 | S | A | -0.0134 | |
| 116 | V | A | 0.0000 | |
| 117 | N | A | -0.5363 | |
| 118 | V | A | 0.0000 | |
| 119 | S | A | -0.7913 | |
| 120 | D | A | -1.5942 | |
| 121 | A | A | -0.1067 | |
| 122 | L | A | 0.9752 | |
| 123 | P | A | 0.0512 | |
| 124 | S | A | -0.7268 | |
| 125 | S | A | -1.7497 | |
| 126 | E | A | -3.5848 | |
| 127 | D | A | -4.5121 | |
| 128 | D | A | -4.6449 | |
| 129 | D | A | -5.0175 | |
| 130 | D | A | -5.0347 | |
| 131 | D | A | -4.5757 | |
| 132 | D | A | -4.0106 | |
| 133 | D | A | -3.4680 | |
| 134 | S | A | -2.2822 | |
| 135 | S | A | -2.0572 | |
| 136 | S | A | -2.2950 | |
| 137 | E | A | -3.7015 | |
| 138 | E | A | -4.1437 | |
| 139 | K | A | -4.3512 | |
| 140 | E | A | -4.1216 | |
| 141 | T | A | -3.1937 | |
| 142 | D | A | -3.4744 | |
| 143 | N | A | -2.9680 | |
| 144 | T | A | -2.3193 | |
| 145 | K | A | -3.2080 | |
| 146 | P | A | -2.2496 | |
| 147 | N | A | -2.5068 | |
| 148 | R | A | -2.3312 | |
| 149 | M | A | -0.2399 | |
| 150 | P | A | -0.1694 | |
| 151 | V | A | 0.1657 | |
| 152 | A | A | 0.1606 | |
| 153 | P | A | 0.0000 | |
| 154 | Y | A | 0.7128 | |
| 155 | W | A | 0.0585 | |
| 156 | T | A | -0.2241 | |
| 157 | S | A | -1.2403 | |
| 158 | P | A | -2.0430 | |
| 159 | E | A | -3.3767 | |
| 160 | K | A | -3.6024 | |
| 161 | M | A | 0.0000 | |
| 162 | E | A | -3.9780 | |
| 163 | K | A | -3.6862 | |
| 164 | K | A | -2.7986 | |
| 165 | L | A | -0.8976 | |
| 166 | H | A | -0.8822 | |
| 167 | A | A | -0.1468 | |
| 168 | V | A | -0.2628 | |
| 169 | P | A | -0.7021 | |
| 170 | A | A | -0.9016 | |
| 171 | A | A | -0.9231 | |
| 172 | K | A | -1.1125 | |
| 173 | T | A | -1.1901 | |
| 174 | V | A | 0.0000 | |
| 175 | K | A | -2.2566 | |
| 176 | F | A | 0.0000 | |
| 177 | K | A | -1.3970 | |
| 178 | C | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | S | A | 0.0000 | |
| 181 | S | A | -0.1880 | |
| 182 | G | A | -0.4879 | |
| 183 | T | A | -0.7558 | |
| 184 | P | A | -1.1604 | |
| 185 | N | A | -1.7236 | |
| 186 | P | A | 0.0000 | |
| 187 | T | A | -0.9088 | |
| 188 | L | A | 0.0000 | |
| 189 | R | A | -1.3274 | |
| 190 | W | A | 0.0000 | |
| 191 | L | A | -1.9498 | |
| 192 | K | A | -2.4508 | |
| 193 | N | A | -2.5261 | |
| 194 | G | A | -2.2194 | |
| 195 | K | A | -3.1564 | |
| 196 | E | A | -3.1277 | |
| 197 | F | A | 0.0000 | |
| 198 | K | A | -2.7255 | |
| 199 | P | A | -1.6650 | |
| 200 | D | A | -2.5418 | |
| 201 | H | A | -2.1034 | |
| 202 | R | A | 0.0000 | |
| 203 | I | A | 1.4315 | |
| 204 | G | A | -0.2621 | |
| 205 | G | A | -0.9460 | |
| 206 | Y | A | -1.1577 | |
| 207 | K | A | -1.4066 | |
| 208 | V | A | -0.9075 | |
| 209 | R | A | -1.1900 | |
| 210 | Y | A | 0.4721 | |
| 211 | A | A | -0.1790 | |
| 212 | T | A | -0.6040 | |
| 213 | W | A | -0.0749 | |
| 214 | S | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | I | A | -1.1880 | |
| 217 | M | A | 0.0000 | |
| 218 | D | A | -0.9972 | |
| 219 | S | A | -0.4390 | |
| 220 | V | A | 0.0000 | |
| 221 | V | A | -0.4244 | |
| 222 | P | A | -0.9495 | |
| 223 | S | A | -0.5935 | |
| 224 | D | A | 0.0000 | |
| 225 | K | A | -2.2968 | |
| 226 | G | A | 0.0000 | |
| 227 | N | A | -2.0521 | |
| 228 | Y | A | 0.0000 | |
| 229 | T | A | -1.3453 | |
| 230 | C | A | 0.0000 | |
| 231 | I | A | -0.7861 | |
| 232 | V | A | 0.0000 | |
| 233 | E | A | -1.5802 | |
| 234 | N | A | -1.4314 | |
| 235 | E | A | -1.6922 | |
| 236 | Y | A | 0.1412 | |
| 237 | G | A | -0.2147 | |
| 238 | S | A | -0.6882 | |
| 239 | I | A | -0.3649 | |
| 240 | N | A | -1.2301 | |
| 241 | H | A | -0.9413 | |
| 242 | T | A | -1.0772 | |
| 243 | Y | A | 0.0000 | |
| 244 | Q | A | -1.9302 | |
| 245 | L | A | 0.0000 | |
| 246 | D | A | -1.2998 | |
| 247 | V | A | -0.9184 | |
| 248 | V | A | -0.3529 | |
| 249 | E | A | -1.6425 | |
| 250 | R | A | -1.7154 | |
| 251 | S | A | -1.6337 | |
| 252 | P | A | -1.9769 | |
| 253 | H | A | -1.7593 | |
| 254 | R | A | -1.4710 | |
| 255 | P | A | 0.0000 | |
| 256 | I | A | 1.3291 | |
| 257 | L | A | 0.0000 | |
| 258 | Q | A | -0.0278 | |
| 259 | A | A | -0.2106 | |
| 260 | G | A | -0.6644 | |
| 261 | L | A | -0.4348 | |
| 262 | P | A | 0.0000 | |
| 263 | A | A | -0.6456 | |
| 264 | N | A | -1.2834 | |
| 265 | K | A | -1.1105 | |
| 266 | T | A | -0.1176 | |
| 267 | V | A | -0.0144 | |
| 268 | A | A | 0.3244 | |
| 269 | L | A | 0.1556 | |
| 270 | G | A | -1.1822 | |
| 271 | S | A | -1.3636 | |
| 272 | N | A | -2.7315 | |
| 273 | V | A | 0.0000 | |
| 274 | E | A | -1.5346 | |
| 275 | F | A | 0.0000 | |
| 276 | M | A | -0.4152 | |
| 277 | C | A | 0.0000 | |
| 278 | K | A | -0.5110 | |
| 279 | V | A | 0.1792 | |
| 280 | Y | A | 1.0553 | |
| 281 | S | A | -0.2133 | |
| 282 | D | A | -1.0693 | |
| 283 | P | A | 0.0000 | |
| 284 | Q | A | -1.4526 | |
| 285 | P | A | -0.8425 | |
| 286 | H | A | -1.1397 | |
| 287 | I | A | 0.0000 | |
| 288 | Q | A | -0.1683 | |
| 289 | W | A | 0.0000 | |
| 290 | L | A | 0.7001 | |
| 291 | K | A | 0.2822 | |
| 292 | H | A | -0.4078 | |
| 293 | I | A | -0.8802 | |
| 294 | E | A | -2.0937 | |
| 295 | V | A | -1.0931 | |
| 296 | N | A | -1.8188 | |
| 297 | G | A | -1.7450 | |
| 298 | S | A | -1.6352 | |
| 299 | K | A | -1.9147 | |
| 300 | I | A | -0.7199 | |
| 301 | G | A | -0.7287 | |
| 302 | P | A | -1.1221 | |
| 303 | D | A | -1.9535 | |
| 304 | N | A | -1.4745 | |
| 305 | L | A | 0.4023 | |
| 306 | P | A | -0.0280 | |
| 307 | Y | A | 0.2556 | |
| 308 | V | A | 0.8535 | |
| 309 | Q | A | 0.4974 | |
| 310 | I | A | 1.5126 | |
| 311 | L | A | 1.0713 | |
| 312 | K | A | 0.0870 | |
| 313 | T | A | -0.0862 | |
| 314 | A | A | -0.7451 | |
| 315 | G | A | -0.0625 | |
| 316 | V | A | 0.9296 | |
| 317 | N | A | -0.8165 | |
| 318 | T | A | -1.1438 | |
| 319 | T | A | -1.6779 | |
| 320 | D | A | -2.6143 | |
| 321 | K | A | -2.9105 | |
| 322 | E | A | -2.7830 | |
| 323 | M | A | 0.0000 | |
| 324 | E | A | -1.4347 | |
| 325 | V | A | -1.1944 | |
| 326 | L | A | 0.0000 | |
| 327 | H | A | -1.8122 | |
| 328 | L | A | -1.9661 | |
| 329 | R | A | -3.2895 | |
| 330 | N | A | -2.6772 | |
| 331 | V | A | 0.0000 | |
| 332 | S | A | -0.4500 | |
| 333 | F | A | 0.7267 | |
| 334 | E | A | -1.1081 | |
| 335 | D | A | -0.8262 | |
| 336 | A | A | -0.0740 | |
| 337 | G | A | -0.1036 | |
| 338 | E | A | -0.2208 | |
| 339 | Y | A | 0.0000 | |
| 340 | T | A | 0.0000 | |
| 341 | C | A | 0.0000 | |
| 342 | L | A | -0.1923 | |
| 343 | A | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | N | A | 0.0000 | |
| 346 | S | A | -0.8522 | |
| 347 | I | A | 0.0000 | |
| 348 | G | A | -0.4576 | |
| 349 | L | A | 0.7970 | |
| 350 | S | A | 0.0000 | |
| 351 | H | A | -0.5121 | |
| 352 | H | A | -0.9166 | |
| 353 | S | A | -0.6090 | |
| 354 | A | A | 0.0000 | |
| 355 | W | A | 0.1337 | |
| 356 | L | A | 0.0000 | |
| 357 | T | A | 0.3457 | |
| 358 | V | A | 0.0000 | |
| 359 | L | A | 0.9758 | |
| 360 | E | A | -0.6525 | |
| 361 | A | A | -0.4187 | |
| 362 | L | A | -0.3828 | |
| 363 | E | A | -2.7679 | |
| 364 | E | A | -3.2329 | |
| 365 | R | A | -2.9112 | |
| 366 | P | A | -1.2268 | |
| 367 | A | A | 0.2631 | |
| 368 | V | A | 1.9494 | |
| 369 | M | A | 1.7689 | |
| 370 | T | A | 1.4603 | |
| 371 | S | A | 1.3061 | |
| 372 | P | A | 1.3982 | |
| 373 | L | A | 2.6471 | |
| 374 | Y | A | 3.2608 | |
| 375 | L | A | 3.2375 | |
| 376 | E | A | 2.3564 | |
| 377 | I | A | 3.5340 | |
| 378 | I | A | 3.6550 | |
| 379 | I | A | 4.0939 | |
| 380 | Y | A | 3.7166 | |
| 381 | C | A | 3.4638 | |
| 382 | T | A | 2.9944 | |
| 383 | G | A | 3.1633 | |
| 384 | A | A | 3.2279 | |
| 385 | F | A | 4.1497 | |
| 386 | L | A | 4.0825 | |
| 387 | I | A | 3.9869 | |
| 388 | S | A | 2.8097 | |
| 389 | C | A | 2.9712 | |
| 390 | M | A | 3.5180 | |
| 391 | V | A | 3.2412 | |
| 392 | G | A | 2.0684 | |
| 393 | S | A | 2.3066 | |
| 394 | V | A | 2.5637 | |
| 395 | I | A | 2.2962 | |
| 396 | V | A | 2.2509 | |
| 397 | Y | A | 1.6196 | |
| 398 | K | A | -0.2326 | |
| 399 | M | A | 0.5785 | |
| 400 | K | A | -0.9144 | |
| 401 | S | A | -1.2198 | |
| 402 | G | A | -1.3488 | |
| 403 | T | A | -1.5881 | |
| 404 | K | A | -2.7241 | |
| 405 | K | A | -3.0306 | |
| 406 | S | A | -1.8269 | |
| 407 | D | A | -1.5354 | |
| 408 | F | A | 0.4823 | |
| 409 | H | A | -0.8142 | |
| 410 | S | A | -0.5891 | |
| 411 | Q | A | -0.9929 | |
| 412 | M | A | 0.7984 | |
| 413 | A | A | 0.9449 | |
| 414 | V | A | 1.1220 | |
| 415 | H | A | -0.5635 | |
| 416 | K | A | -0.9991 | |
| 417 | L | A | 0.1054 | |
| 418 | A | A | -0.2583 | |
| 419 | K | A | -0.8901 | |
| 420 | S | A | 0.0331 | |
| 421 | I | A | 1.5026 | |
| 422 | P | A | 0.5238 | |
| 423 | L | A | 0.4204 | |
| 424 | R | A | -2.1103 | |
| 425 | R | A | -2.5456 | |
| 426 | Q | A | -1.3290 | |
| 427 | V | A | 1.1275 | |
| 428 | T | A | 1.1199 | |
| 429 | V | A | 1.9600 | |
| 430 | S | A | 0.4144 | |
| 431 | A | A | -0.6835 | |
| 432 | D | A | -1.9606 | |
| 433 | S | A | -1.2162 | |
| 434 | S | A | -0.6624 | |
| 435 | A | A | -0.1819 | |
| 436 | S | A | 0.0181 | |
| 437 | M | A | 0.1949 | |
| 438 | N | A | -0.8247 | |
| 439 | S | A | -0.1407 | |
| 440 | G | A | 0.8193 | |
| 441 | V | A | 2.6568 | |
| 442 | L | A | 3.0544 | |
| 443 | L | A | 2.7160 | |
| 444 | V | A | 1.3264 | |
| 445 | R | A | -1.5039 | |
| 446 | P | A | -1.8331 | |
| 447 | S | A | -1.8607 | |
| 448 | R | A | -1.7309 | |
| 449 | L | A | 0.4624 | |
| 450 | S | A | 0.0305 | |
| 451 | S | A | -0.2216 | |
| 452 | S | A | -0.6346 | |
| 453 | G | A | -0.5958 | |
| 454 | T | A | -0.2215 | |
| 455 | P | A | 0.0680 | |
| 456 | M | A | 0.4613 | |
| 457 | L | A | -0.0336 | |
| 458 | A | A | -0.0714 | |
| 459 | G | A | -0.7343 | |
| 460 | V | A | -0.9261 | |
| 461 | S | A | -1.4975 | |
| 462 | E | A | -2.6684 | |
| 463 | Y | A | -1.6156 | |
| 464 | E | A | -2.9683 | |
| 465 | L | A | 0.0000 | |
| 466 | P | A | -0.9595 | |
| 467 | E | A | -2.7274 | |
| 468 | D | A | -1.9667 | |
| 469 | P | A | -1.8234 | |
| 470 | R | A | -2.3049 | |
| 471 | W | A | -1.3079 | |
| 472 | E | A | -1.4660 | |
| 473 | L | A | 0.0000 | |
| 474 | P | A | -1.4570 | |
| 475 | R | A | -1.7132 | |
| 476 | D | A | -1.9394 | |
| 477 | R | A | -1.0606 | |
| 478 | L | A | 0.0000 | |
| 479 | V | A | 1.3244 | |
| 480 | L | A | 0.7736 | |
| 481 | G | A | -0.7219 | |
| 482 | K | A | -1.7000 | |
| 483 | P | A | -1.1525 | |
| 484 | L | A | -0.4552 | |
| 485 | G | A | -1.3292 | |
| 486 | E | A | -1.8739 | |
| 487 | G | A | 0.0000 | |
| 488 | C | A | 0.4771 | |
| 489 | F | A | -0.0583 | |
| 490 | G | A | 0.0000 | |
| 491 | Q | A | -1.0622 | |
| 492 | V | A | -0.6743 | |
| 493 | V | A | 0.0000 | |
| 494 | L | A | -0.4124 | |
| 495 | A | A | 0.0000 | |
| 496 | E | A | -0.1961 | |
| 497 | A | A | 0.0000 | |
| 498 | I | A | -0.3430 | |
| 499 | G | A | -1.6465 | |
| 500 | L | A | -1.0963 | |
| 501 | D | A | -2.5342 | |
| 502 | K | A | -3.6007 | |
| 503 | D | A | -3.7833 | |
| 504 | K | A | -3.4779 | |
| 505 | P | A | -2.6204 | |
| 506 | N | A | -2.2489 | |
| 507 | R | A | -1.6649 | |
| 508 | V | A | 0.3899 | |
| 509 | T | A | -0.4507 | |
| 510 | K | A | -1.1202 | |
| 511 | V | A | 0.0000 | |
| 512 | A | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | K | A | -0.2644 | |
| 515 | M | A | 0.0000 | |
| 516 | L | A | -0.3327 | |
| 517 | K | A | -0.9072 | |
| 518 | S | A | -0.8581 | |
| 519 | D | A | -1.7943 | |
| 520 | A | A | 0.0000 | |
| 521 | T | A | -1.4939 | |
| 522 | E | A | -1.9974 | |
| 523 | K | A | -2.4544 | |
| 524 | D | A | -1.7329 | |
| 525 | L | A | 0.0000 | |
| 526 | S | A | -1.7209 | |
| 527 | D | A | -2.3605 | |
| 528 | L | A | 0.0000 | |
| 529 | I | A | -1.0594 | |
| 530 | S | A | -1.2689 | |
| 531 | E | A | 0.0000 | |
| 532 | M | A | 0.0000 | |
| 533 | E | A | -1.8045 | |
| 534 | M | A | -0.4714 | |
| 535 | M | A | 0.0000 | |
| 536 | K | A | -0.9947 | |
| 537 | M | A | -0.1717 | |
| 538 | I | A | 0.0000 | |
| 539 | G | A | -0.8683 | |
| 540 | K | A | -2.0160 | |
| 541 | H | A | -1.7687 | |
| 542 | K | A | -2.0872 | |
| 543 | N | A | 0.0000 | |
| 544 | I | A | 0.0000 | |
| 545 | I | A | 0.0000 | |
| 546 | N | A | 0.0000 | |
| 547 | L | A | 0.0000 | |
| 548 | L | A | -0.1792 | |
| 549 | G | A | 0.0000 | |
| 550 | A | A | 0.0000 | |
| 551 | C | A | 0.0000 | |
| 552 | T | A | -1.5653 | |
| 553 | Q | A | -2.4048 | |
| 554 | D | A | -2.5471 | |
| 555 | G | A | -1.8049 | |
| 556 | P | A | -0.7125 | |
| 557 | L | A | 0.0000 | |
| 558 | Y | A | -0.0484 | |
| 559 | V | A | 0.0000 | |
| 560 | I | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | E | A | -0.2739 | |
| 563 | Y | A | -0.3216 | |
| 564 | A | A | 0.0000 | |
| 565 | S | A | -1.2505 | |
| 566 | K | A | -1.5890 | |
| 567 | G | A | -0.9802 | |
| 568 | N | A | -0.9193 | |
| 569 | L | A | 0.0000 | |
| 570 | R | A | 0.0000 | |
| 571 | E | A | -2.0975 | |
| 572 | Y | A | 0.0000 | |
| 573 | L | A | 0.0000 | |
| 574 | Q | A | -0.6813 | |
| 575 | A | A | -1.3964 | |
| 576 | R | A | -1.6517 | |
| 577 | R | A | 0.0000 | |
| 578 | P | A | -1.0722 | |
| 579 | P | A | -1.2033 | |
| 580 | G | A | -0.9749 | |
| 581 | L | A | -0.6538 | |
| 582 | E | A | -1.7133 | |
| 583 | Y | A | -0.2885 | |
| 584 | C | A | -0.4911 | |
| 585 | Y | A | -0.2862 | |
| 586 | N | A | -1.7864 | |
| 587 | P | A | -1.5083 | |
| 588 | S | A | -1.2294 | |
| 589 | H | A | -1.7630 | |
| 590 | N | A | -2.5322 | |
| 591 | P | A | 0.0000 | |
| 592 | E | A | -2.8864 | |
| 593 | E | A | -2.4948 | |
| 594 | Q | A | -2.2562 | |
| 595 | L | A | -1.0548 | |
| 596 | S | A | -1.0682 | |
| 597 | S | A | -0.9894 | |
| 598 | K | A | -0.8600 | |
| 599 | D | A | -1.2572 | |
| 600 | L | A | 0.0000 | |
| 601 | V | A | 0.0000 | |
| 602 | S | A | -0.6206 | |
| 603 | C | A | 0.0000 | |
| 604 | A | A | 0.0000 | |
| 605 | Y | A | -0.7903 | |
| 606 | Q | A | -0.6482 | |
| 607 | V | A | 0.0000 | |
| 608 | A | A | 0.0000 | |
| 609 | R | A | -1.4766 | |
| 610 | G | A | 0.0000 | |
| 611 | M | A | 0.0000 | |
| 612 | E | A | -1.5309 | |
| 613 | Y | A | -1.1429 | |
| 614 | L | A | 0.0000 | |
| 615 | A | A | -1.2864 | |
| 616 | S | A | -1.2950 | |
| 617 | K | A | -1.2859 | |
| 618 | K | A | -1.9855 | |
| 619 | C | A | -0.8967 | |
| 620 | I | A | -0.4875 | |
| 621 | H | A | 0.0000 | |
| 622 | R | A | -1.7344 | |
| 623 | D | A | -1.0110 | |
| 624 | L | A | 0.0000 | |
| 625 | A | A | 0.0000 | |
| 626 | A | A | 0.0000 | |
| 627 | R | A | -1.0284 | |
| 628 | N | A | 0.0000 | |
| 629 | V | A | 0.0000 | |
| 630 | L | A | -0.2759 | |
| 631 | V | A | 0.0000 | |
| 632 | T | A | -1.8409 | |
| 633 | E | A | -3.0437 | |
| 634 | D | A | -3.0813 | |
| 635 | N | A | -2.2862 | |
| 636 | V | A | 0.0000 | |
| 637 | M | A | 0.0000 | |
| 638 | K | A | 0.0000 | |
| 639 | I | A | 0.0000 | |
| 640 | A | A | 0.0000 | |
| 641 | D | A | -0.2470 | |
| 642 | F | A | -0.2552 | |
| 643 | G | A | -0.4024 | |
| 644 | L | A | 0.0000 | |
| 645 | A | A | -0.6649 | |
| 646 | R | A | -1.1039 | |
| 647 | D | A | -1.7527 | |
| 648 | I | A | 0.5031 | |
| 649 | H | A | -0.9261 | |
| 650 | H | A | -0.7798 | |
| 651 | I | A | 0.2134 | |
| 652 | D | A | -1.2135 | |
| 653 | Y | A | -0.5495 | |
| 654 | Y | A | -0.6160 | |
| 655 | K | A | -1.2219 | |
| 656 | K | A | -2.2855 | |
| 657 | T | A | 0.0000 | |
| 658 | T | A | -1.5845 | |
| 659 | N | A | -1.8288 | |
| 660 | G | A | -1.6742 | |
| 661 | R | A | -1.5420 | |
| 662 | L | A | -1.0416 | |
| 663 | P | A | 0.0000 | |
| 664 | V | A | 0.0000 | |
| 665 | K | A | -0.0706 | |
| 666 | W | A | 0.0000 | |
| 667 | M | A | 0.0000 | |
| 668 | A | A | 0.0000 | |
| 669 | P | A | -0.1502 | |
| 670 | E | A | -0.0433 | |
| 671 | A | A | 0.0000 | |
| 672 | L | A | 0.0000 | |
| 673 | F | A | 0.1029 | |
| 674 | D | A | -1.4313 | |
| 675 | R | A | -1.1515 | |
| 676 | I | A | 0.5288 | |
| 677 | Y | A | -0.1508 | |
| 678 | T | A | -0.4530 | |
| 679 | H | A | -1.2291 | |
| 680 | Q | A | 0.0000 | |
| 681 | S | A | 0.0000 | |
| 682 | D | A | 0.0000 | |
| 683 | V | A | 0.0000 | |
| 684 | W | A | 0.0000 | |
| 685 | S | A | 0.0000 | |
| 686 | F | A | 0.0000 | |
| 687 | G | A | 0.0000 | |
| 688 | V | A | 0.0000 | |
| 689 | L | A | 0.0000 | |
| 690 | L | A | 0.0000 | |
| 691 | W | A | 0.0000 | |
| 692 | E | A | 0.0000 | |
| 693 | I | A | 0.0000 | |
| 694 | F | A | 0.0000 | |
| 695 | T | A | 0.0000 | |
| 696 | L | A | 0.0000 | |
| 697 | G | A | 0.0000 | |
| 698 | G | A | 0.0000 | |
| 699 | S | A | 0.0139 | |
| 700 | P | A | 0.0000 | |
| 701 | Y | A | 0.0000 | |
| 702 | P | A | -0.6745 | |
| 703 | G | A | -0.7110 | |
| 704 | V | A | -0.4147 | |
| 705 | P | A | -0.6646 | |
| 706 | V | A | -0.4194 | |
| 707 | E | A | -1.2855 | |
| 708 | E | A | -1.7214 | |
| 709 | L | A | 0.0000 | |
| 710 | F | A | -1.5102 | |
| 711 | K | A | -3.0627 | |
| 712 | L | A | -2.2908 | |
| 713 | L | A | 0.0000 | |
| 714 | K | A | -3.2772 | |
| 715 | E | A | -3.3684 | |
| 716 | G | A | -2.4101 | |
| 717 | H | A | -2.0535 | |
| 718 | R | A | -1.8184 | |
| 719 | M | A | 0.0000 | |
| 720 | D | A | -2.4776 | |
| 721 | K | A | -2.0592 | |
| 722 | P | A | 0.0000 | |
| 723 | S | A | -0.9280 | |
| 724 | N | A | -1.1123 | |
| 725 | C | A | 0.0000 | |
| 726 | T | A | -1.4728 | |
| 727 | N | A | -2.1669 | |
| 728 | E | A | -2.5018 | |
| 729 | L | A | 0.0000 | |
| 730 | Y | A | 0.0000 | |
| 731 | M | A | -1.3411 | |
| 732 | M | A | 0.0000 | |
| 733 | M | A | 0.0000 | |
| 734 | R | A | -2.7289 | |
| 735 | D | A | -2.3490 | |
| 736 | C | A | 0.0000 | |
| 737 | W | A | 0.0000 | |
| 738 | H | A | -1.1264 | |
| 739 | A | A | -0.2369 | |
| 740 | V | A | 1.1989 | |
| 741 | P | A | -0.0642 | |
| 742 | S | A | -0.3449 | |
| 743 | Q | A | -1.1404 | |
| 744 | R | A | 0.0000 | |
| 745 | P | A | -1.3545 | |
| 746 | T | A | -1.5106 | |
| 747 | F | A | 0.0000 | |
| 748 | K | A | -3.0040 | |
| 749 | Q | A | -3.0169 | |
| 750 | L | A | 0.0000 | |
| 751 | V | A | -2.6451 | |
| 752 | E | A | -3.6323 | |
| 753 | D | A | -3.6364 | |
| 754 | L | A | 0.0000 | |
| 755 | D | A | -2.5254 | |
| 756 | R | A | -2.4670 | |
| 757 | I | A | -1.2435 | |
| 758 | V | A | -0.7176 | |
| 759 | A | A | -0.7119 | |
| 760 | L | A | 0.0510 | |
| 761 | T | A | -0.8767 | |
| 762 | S | A | -1.2213 | |
| 763 | N | A | -1.6392 | |
| 764 | Q | A | -1.8141 | |
| 765 | E | A | -1.8581 | |
| 766 | Y | A | 0.2662 | |
| 767 | L | A | 1.1737 | |
| 768 | D | A | -0.1239 | |
| 769 | L | A | 1.6734 | |
| 770 | S | A | 0.8159 | |
| 771 | M | A | 1.1344 | |
| 772 | P | A | 0.2490 | |
| 773 | L | A | 0.8498 | |
| 774 | D | A | -1.2468 | |
| 775 | Q | A | -1.1290 | |
| 776 | Y | A | 0.3213 | |
| 777 | S | A | 0.0258 | |
| 778 | P | A | 0.2546 | |
| 779 | S | A | 0.4825 | |
| 780 | F | A | 1.1286 | |
| 781 | P | A | -0.4608 | |
| 782 | D | A | -1.8492 | |
| 783 | T | A | -1.7596 | |
| 784 | R | A | -2.4299 | |
| 785 | S | A | -1.2626 | |
| 786 | S | A | -0.5571 | |
| 787 | T | A | 0.1073 | |
| 788 | C | A | 0.4497 | |
| 789 | S | A | -0.3215 | |
| 790 | S | A | -1.0638 | |
| 791 | G | A | -1.8906 | |
| 792 | E | A | -2.8219 | |
| 793 | D | A | -2.2089 | |
| 794 | S | A | -0.1969 | |
| 795 | V | A | 1.7121 | |
| 796 | F | A | 1.9418 | |
| 797 | S | A | 0.1809 | |
| 798 | H | A | -1.3030 | |
| 799 | E | A | -1.9663 | |
| 800 | P | A | -0.8882 | |
| 801 | L | A | 0.1802 | |
| 802 | P | A | -1.0833 | |
| 803 | E | A | -2.4102 | |
| 804 | E | A | -2.4051 | |
| 805 | P | A | -1.0050 | |
| 806 | C | A | 0.7306 | |
| 807 | L | A | 1.1672 | |
| 808 | P | A | -0.4435 | |
| 809 | R | A | -2.1901 | |
| 810 | H | A | -2.2046 | |
| 811 | P | A | -1.3085 | |
| 812 | A | A | -0.4539 | |
| 813 | Q | A | -0.6919 | |
| 814 | L | A | 0.6228 | |
| 815 | A | A | -0.2462 | |
| 816 | N | A | -1.1945 | |
| 817 | G | A | -0.9189 | |
| 818 | G | A | -0.6524 | |
| 819 | L | A | -0.4687 | |
| 820 | K | A | -2.3493 | |
| 821 | R | A | -3.2731 | |
| 822 | R | A | -3.0247 |
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 | -0.2841 | 7.6397 | View | CSV | PDB |
| 4.5 | -0.3727 | 7.6428 | View | CSV | PDB |
| 5.0 | -0.4805 | 7.6523 | View | CSV | PDB |
| 5.5 | -0.5879 | 7.6778 | View | CSV | PDB |
| 6.0 | -0.6751 | 7.7336 | View | CSV | PDB |
| 6.5 | -0.7294 | 7.8246 | View | CSV | PDB |
| 7.0 | -0.7519 | 7.9392 | View | CSV | PDB |
| 7.5 | -0.7546 | 8.0641 | View | CSV | PDB |
| 8.0 | -0.7466 | 8.1927 | View | CSV | PDB |
| 8.5 | -0.7296 | 8.322 | View | CSV | PDB |
| 9.0 | -0.7011 | 8.4501 | 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