| Chain sequence(s) |
A: MASEQARRENKVTEREVQVEKDRVPKMTSHFESMAEKGKDSDTHRHQTEGGGTQFVSLSDKGSNMPVSDEGEGETKMKRTQMPHSVGKFVTSSDSGTGKKKDEKEEHEKASLEDIHGYRANAQQKSMDSIKAAEERYNKAKESLSHSGQEARGGRGEEMVGKGRDSGVRVSHVGAVGGGGGGEEKESGVHGFHGEKARHAELLAAGGEEMREREGKESAGGVGGRSVKDTVAEKGQQAKESVGEGAQKAGSATSEKAQRASEYATEKGKEAGNMTAEQAARAKDYALQKAVEAKETAAEKAQRASEYMKETGSTAAEQAARAKDYTLQKAVEAKDVAAEKAQRASEYMTETGKQAGNVAAQKGQEAASMTAKAKDYTVQKAGEAAGYIKETTVEGGKGAAHYAGVAAEKAAAVGWTAAHFTTEKVVQGTKAVAGTVEGAVGYAGHKAVEVGSKAVDLTKEKAAVAADTVVGYTARKKEEAQHRDQEMHQGGEEEKQPGFVSGARRDFGEEYGEERGSEKDVYGYGAKGIPGEGRGDVGEAEYGRGSEKDVFGYGPKGTVEEARRDVGEEYGGGRGSERYVEEEGVGAGGVLGAIGETIAEIAQTTKNIVIGDAPVRTHEHGTTDPDYMRREHGQR
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:29)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/16f6673852f060/tmp/folded.pdb (00:11:29)
[INFO] Main: Simulation completed successfully. (00:14:11)
|
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 | 0.8409 | |
| 2 | A | A | -0.1492 | |
| 3 | S | A | -1.0448 | |
| 4 | E | A | -2.5726 | |
| 5 | Q | A | -2.6980 | |
| 6 | A | A | -2.6423 | |
| 7 | R | A | -3.8594 | |
| 8 | R | A | -4.3377 | |
| 9 | E | A | -4.1129 | |
| 10 | N | A | -3.2106 | |
| 11 | K | A | -2.4853 | |
| 12 | V | A | -0.3905 | |
| 13 | T | A | -1.4412 | |
| 14 | E | A | -2.7674 | |
| 15 | R | A | -3.0565 | |
| 16 | E | A | -2.4628 | |
| 17 | V | A | -0.1800 | |
| 18 | Q | A | -1.0485 | |
| 19 | V | A | -0.1876 | |
| 20 | E | A | -2.7730 | |
| 21 | K | A | -3.2573 | |
| 22 | D | A | -3.3491 | |
| 23 | R | A | -2.9210 | |
| 24 | V | A | -0.3159 | |
| 25 | P | A | -0.6439 | |
| 26 | K | A | -1.1203 | |
| 27 | M | A | 0.3231 | |
| 28 | T | A | -0.3799 | |
| 29 | S | A | -0.6539 | |
| 30 | H | A | -0.3615 | |
| 31 | F | A | 0.8618 | |
| 32 | E | A | -1.2765 | |
| 33 | S | A | -0.9100 | |
| 34 | M | A | -0.1263 | |
| 35 | A | A | -1.0343 | |
| 36 | E | A | -3.0819 | |
| 37 | K | A | -3.3000 | |
| 38 | G | A | -2.9110 | |
| 39 | K | A | -3.6424 | |
| 40 | D | A | -3.4853 | |
| 41 | S | A | -2.5058 | |
| 42 | D | A | -2.7100 | |
| 43 | T | A | -2.1242 | |
| 44 | H | A | -2.5457 | |
| 45 | R | A | -3.2217 | |
| 46 | H | A | -2.6814 | |
| 47 | Q | A | -2.4951 | |
| 48 | T | A | -1.9546 | |
| 49 | E | A | -2.5139 | |
| 50 | G | A | -1.6894 | |
| 51 | G | A | -1.4614 | |
| 52 | G | A | -1.1564 | |
| 53 | T | A | -0.3021 | |
| 54 | Q | A | -0.0095 | |
| 55 | F | A | 2.2591 | |
| 56 | V | A | 2.6356 | |
| 57 | S | A | 1.3666 | |
| 58 | L | A | 1.2961 | |
| 59 | S | A | -0.6056 | |
| 60 | D | A | -2.5041 | |
| 61 | K | A | -2.8116 | |
| 62 | G | A | -2.0541 | |
| 63 | S | A | -1.4747 | |
| 64 | N | A | -1.0483 | |
| 65 | M | A | 0.5444 | |
| 66 | P | A | 0.5295 | |
| 67 | V | A | 1.1778 | |
| 68 | S | A | -0.5944 | |
| 69 | D | A | -2.6204 | |
| 70 | E | A | -3.3585 | |
| 71 | G | A | -2.7109 | |
| 72 | E | A | -3.2243 | |
| 73 | G | A | -2.3454 | |
| 74 | E | A | -2.7177 | |
| 75 | T | A | -1.9074 | |
| 76 | K | A | -2.2996 | |
| 77 | M | A | -1.2748 | |
| 78 | K | A | -2.6968 | |
| 79 | R | A | -2.8139 | |
| 80 | T | A | -1.6422 | |
| 81 | Q | A | -1.5758 | |
| 82 | M | A | -0.1632 | |
| 83 | P | A | -0.3817 | |
| 84 | H | A | -0.6525 | |
| 85 | S | A | -0.1140 | |
| 86 | V | A | 0.9523 | |
| 87 | G | A | 0.1301 | |
| 88 | K | A | -0.0855 | |
| 89 | F | A | 2.0212 | |
| 90 | V | A | 2.0655 | |
| 91 | T | A | 0.7011 | |
| 92 | S | A | -0.1971 | |
| 93 | S | A | -1.0940 | |
| 94 | D | A | -2.2067 | |
| 95 | S | A | -1.4678 | |
| 96 | G | A | -1.4368 | |
| 97 | T | A | -1.3431 | |
| 98 | G | A | -2.0199 | |
| 99 | K | A | -3.4206 | |
| 100 | K | A | -4.1873 | |
| 101 | K | A | -4.5989 | |
| 102 | D | A | -4.8183 | |
| 103 | E | A | -4.9564 | |
| 104 | K | A | -4.8241 | |
| 105 | E | A | -4.8255 | |
| 106 | E | A | -4.7154 | |
| 107 | H | A | -4.0328 | |
| 108 | E | A | -3.9432 | |
| 109 | K | A | -3.0153 | |
| 110 | A | A | -1.5429 | |
| 111 | S | A | -1.0450 | |
| 112 | L | A | 0.1298 | |
| 113 | E | A | -1.7040 | |
| 114 | D | A | -1.4198 | |
| 115 | I | A | -0.4357 | |
| 116 | H | A | -1.6853 | |
| 117 | G | A | -1.4172 | |
| 118 | Y | A | -0.8035 | |
| 119 | R | A | -2.4841 | |
| 120 | A | A | -2.1780 | |
| 121 | N | A | -2.2304 | |
| 122 | A | A | -2.3498 | |
| 123 | Q | A | -2.8806 | |
| 124 | Q | A | -2.9474 | |
| 125 | K | A | -3.1307 | |
| 126 | S | A | -1.6460 | |
| 127 | M | A | -1.0207 | |
| 128 | D | A | -2.6007 | |
| 129 | S | A | -1.4015 | |
| 130 | I | A | -0.1921 | |
| 131 | K | A | -2.2939 | |
| 132 | A | A | -1.8243 | |
| 133 | A | A | -1.5599 | |
| 134 | E | A | -2.8024 | |
| 135 | E | A | -3.4311 | |
| 136 | R | A | -3.3348 | |
| 137 | Y | A | -2.1275 | |
| 138 | N | A | -3.0925 | |
| 139 | K | A | -3.7794 | |
| 140 | A | A | -2.2746 | |
| 141 | K | A | -3.0926 | |
| 142 | E | A | -3.3248 | |
| 143 | S | A | -1.7838 | |
| 144 | L | A | -0.7333 | |
| 145 | S | A | -1.8846 | |
| 146 | H | A | -2.4421 | |
| 147 | S | A | -1.9336 | |
| 148 | G | A | -2.0038 | |
| 149 | Q | A | -3.1500 | |
| 150 | E | A | -3.6379 | |
| 151 | A | A | -2.8196 | |
| 152 | R | A | -3.5851 | |
| 153 | G | A | -2.8426 | |
| 154 | G | A | -2.7581 | |
| 155 | R | A | -3.3819 | |
| 156 | G | A | -2.9808 | |
| 157 | E | A | -2.9398 | |
| 158 | E | A | -2.0869 | |
| 159 | M | A | 0.1394 | |
| 160 | V | A | 0.7391 | |
| 161 | G | A | -0.6807 | |
| 162 | K | A | -1.9183 | |
| 163 | G | A | -2.5328 | |
| 164 | R | A | -3.4783 | |
| 165 | D | A | -3.0014 | |
| 166 | S | A | -1.3501 | |
| 167 | G | A | -0.6836 | |
| 168 | V | A | 0.9703 | |
| 169 | R | A | -0.2754 | |
| 170 | V | A | 0.9629 | |
| 171 | S | A | 0.1250 | |
| 172 | H | A | 0.0587 | |
| 173 | V | A | 1.0136 | |
| 174 | G | A | 0.5906 | |
| 175 | A | A | 1.0315 | |
| 176 | V | A | 1.3311 | |
| 177 | G | A | 0.0263 | |
| 178 | G | A | -0.6797 | |
| 179 | G | A | -0.9826 | |
| 180 | G | A | -1.3402 | |
| 181 | G | A | -1.6501 | |
| 182 | G | A | -2.2687 | |
| 183 | E | A | -3.4699 | |
| 184 | E | A | -4.1245 | |
| 185 | K | A | -4.0545 | |
| 186 | E | A | -3.3953 | |
| 187 | S | A | -1.8136 | |
| 188 | G | A | -0.6940 | |
| 189 | V | A | 0.9099 | |
| 190 | H | A | -0.2104 | |
| 191 | G | A | 0.0440 | |
| 192 | F | A | 0.9130 | |
| 193 | H | A | -1.0471 | |
| 194 | G | A | -1.8698 | |
| 195 | E | A | -3.3067 | |
| 196 | K | A | -3.1724 | |
| 197 | A | A | -2.2967 | |
| 198 | R | A | -3.1369 | |
| 199 | H | A | -2.3573 | |
| 200 | A | A | -1.3087 | |
| 201 | E | A | -1.2454 | |
| 202 | L | A | 1.2575 | |
| 203 | L | A | 1.8734 | |
| 204 | A | A | 0.7817 | |
| 205 | A | A | 0.0583 | |
| 206 | G | A | -0.8087 | |
| 207 | G | A | -1.9842 | |
| 208 | E | A | -3.0297 | |
| 209 | E | A | -2.9881 | |
| 210 | M | A | -1.8550 | |
| 211 | R | A | -3.4737 | |
| 212 | E | A | -4.0200 | |
| 213 | R | A | -4.2353 | |
| 214 | E | A | -4.2450 | |
| 215 | G | A | -3.3392 | |
| 216 | K | A | -3.5982 | |
| 217 | E | A | -3.0898 | |
| 218 | S | A | -1.6040 | |
| 219 | A | A | -0.7975 | |
| 220 | G | A | -0.3567 | |
| 221 | G | A | 0.0106 | |
| 222 | V | A | 1.1022 | |
| 223 | G | A | -0.3967 | |
| 224 | G | A | -1.2559 | |
| 225 | R | A | -1.9128 | |
| 226 | S | A | -0.7800 | |
| 227 | V | A | -0.0120 | |
| 228 | K | A | -1.7070 | |
| 229 | D | A | -1.8882 | |
| 230 | T | A | -0.3965 | |
| 231 | V | A | 1.0421 | |
| 232 | A | A | -0.3800 | |
| 233 | E | A | -2.5256 | |
| 234 | K | A | -3.2517 | |
| 235 | G | A | -2.8245 | |
| 236 | Q | A | -2.8245 | |
| 237 | Q | A | -2.7305 | |
| 238 | A | A | -2.1413 | |
| 239 | K | A | -2.8846 | |
| 240 | E | A | -2.5776 | |
| 241 | S | A | -0.9683 | |
| 242 | V | A | 0.4322 | |
| 243 | G | A | -1.1678 | |
| 244 | E | A | -2.4986 | |
| 245 | G | A | -1.8225 | |
| 246 | A | A | -1.7208 | |
| 247 | Q | A | -2.8248 | |
| 248 | K | A | -2.7924 | |
| 249 | A | A | -1.4630 | |
| 250 | G | A | -1.7195 | |
| 251 | S | A | -2.0239 | |
| 252 | A | A | -1.9458 | |
| 253 | T | A | -1.7803 | |
| 254 | S | A | -2.2934 | |
| 255 | E | A | -3.6826 | |
| 256 | K | A | -3.6291 | |
| 257 | A | A | -2.3840 | |
| 258 | Q | A | -2.9571 | |
| 259 | R | A | -3.4008 | |
| 260 | A | A | -1.8157 | |
| 261 | S | A | -1.6769 | |
| 262 | E | A | -1.8427 | |
| 263 | Y | A | -0.8737 | |
| 264 | A | A | -1.4477 | |
| 265 | T | A | -2.1924 | |
| 266 | E | A | -3.5985 | |
| 267 | K | A | -3.3753 | |
| 268 | G | A | -3.1199 | |
| 269 | K | A | -3.9908 | |
| 270 | E | A | -3.9388 | |
| 271 | A | A | -2.4443 | |
| 272 | G | A | -2.6091 | |
| 273 | N | A | -2.8168 | |
| 274 | M | A | -1.2752 | |
| 275 | T | A | -1.5683 | |
| 276 | A | A | -1.7664 | |
| 277 | E | A | -2.8904 | |
| 278 | Q | A | -2.9449 | |
| 279 | A | A | -2.1327 | |
| 280 | A | A | -2.5108 | |
| 281 | R | A | -3.3339 | |
| 282 | A | A | -2.2162 | |
| 283 | K | A | -2.7889 | |
| 284 | D | A | -2.8290 | |
| 285 | Y | A | -0.8388 | |
| 286 | A | A | -0.9694 | |
| 287 | L | A | -1.0335 | |
| 288 | Q | A | -1.7482 | |
| 289 | K | A | -2.2066 | |
| 290 | A | A | -1.1879 | |
| 291 | V | A | -1.2461 | |
| 292 | E | A | -3.0056 | |
| 293 | A | A | -2.2269 | |
| 294 | K | A | -3.3940 | |
| 295 | E | A | -3.7886 | |
| 296 | T | A | -2.8871 | |
| 297 | A | A | -2.6881 | |
| 298 | A | A | -3.1898 | |
| 299 | E | A | -4.2597 | |
| 300 | K | A | -4.1964 | |
| 301 | A | A | -2.7734 | |
| 302 | Q | A | -3.4385 | |
| 303 | R | A | -3.6394 | |
| 304 | A | A | -2.1105 | |
| 305 | S | A | -2.2917 | |
| 306 | E | A | -2.8124 | |
| 307 | Y | A | -0.6403 | |
| 308 | M | A | -1.1404 | |
| 309 | K | A | -2.4016 | |
| 310 | E | A | -2.4156 | |
| 311 | T | A | -1.6580 | |
| 312 | G | A | -2.1439 | |
| 313 | S | A | -1.7338 | |
| 314 | T | A | -1.8789 | |
| 315 | A | A | -1.9654 | |
| 316 | A | A | -1.9345 | |
| 317 | E | A | -3.1262 | |
| 318 | Q | A | -3.2407 | |
| 319 | A | A | -2.3249 | |
| 320 | A | A | -2.5971 | |
| 321 | R | A | -3.1953 | |
| 322 | A | A | -2.0214 | |
| 323 | K | A | -2.4165 | |
| 324 | D | A | -2.3565 | |
| 325 | Y | A | -0.3368 | |
| 326 | T | A | -0.3765 | |
| 327 | L | A | 0.1567 | |
| 328 | Q | A | -1.0076 | |
| 329 | K | A | -1.0387 | |
| 330 | A | A | -0.4972 | |
| 331 | V | A | -0.2718 | |
| 332 | E | A | -1.8994 | |
| 333 | A | A | -0.8627 | |
| 334 | K | A | -1.8009 | |
| 335 | D | A | -2.3941 | |
| 336 | V | A | -0.7495 | |
| 337 | A | A | -1.3397 | |
| 338 | A | A | -2.4882 | |
| 339 | E | A | -3.1530 | |
| 340 | K | A | -2.8956 | |
| 341 | A | A | -2.0068 | |
| 342 | Q | A | -2.4793 | |
| 343 | R | A | -2.2115 | |
| 344 | A | A | -1.2031 | |
| 345 | S | A | -1.4056 | |
| 346 | E | A | -1.3685 | |
| 347 | Y | A | 0.0625 | |
| 348 | M | A | -0.5612 | |
| 349 | T | A | -1.8336 | |
| 350 | E | A | -2.3287 | |
| 351 | T | A | -1.5268 | |
| 352 | G | A | 0.0000 | |
| 353 | K | A | -3.1663 | |
| 354 | Q | A | -2.6661 | |
| 355 | A | A | -1.4766 | |
| 356 | G | A | -1.3811 | |
| 357 | N | A | -1.5925 | |
| 358 | V | A | 0.2581 | |
| 359 | A | A | -0.8983 | |
| 360 | A | A | -2.2615 | |
| 361 | Q | A | -2.6650 | |
| 362 | K | A | -2.9843 | |
| 363 | G | A | -2.0501 | |
| 364 | Q | A | -2.8766 | |
| 365 | E | A | -3.0263 | |
| 366 | A | A | -1.4568 | |
| 367 | A | A | -1.5102 | |
| 368 | S | A | -1.3245 | |
| 369 | M | A | -0.4323 | |
| 370 | T | A | -1.2305 | |
| 371 | A | A | -1.5714 | |
| 372 | K | A | -2.0238 | |
| 373 | A | A | -1.3855 | |
| 374 | K | A | -2.4258 | |
| 375 | D | A | -2.5936 | |
| 376 | Y | A | -1.0488 | |
| 377 | T | A | -1.1209 | |
| 378 | V | A | -0.4933 | |
| 379 | Q | A | -1.7399 | |
| 380 | K | A | -1.8464 | |
| 381 | A | A | -0.7184 | |
| 382 | G | A | -0.8941 | |
| 383 | E | A | -0.8436 | |
| 384 | A | A | -0.1483 | |
| 385 | A | A | -0.0750 | |
| 386 | G | A | -0.2982 | |
| 387 | Y | A | 0.9566 | |
| 388 | I | A | 1.1650 | |
| 389 | K | A | -1.1086 | |
| 390 | E | A | -1.5938 | |
| 391 | T | A | -0.5531 | |
| 392 | T | A | -0.2499 | |
| 393 | V | A | 0.3788 | |
| 394 | E | A | -1.2267 | |
| 395 | G | A | -1.5923 | |
| 396 | G | A | -2.2109 | |
| 397 | K | A | -2.4919 | |
| 398 | G | A | -1.6428 | |
| 399 | A | A | -0.6856 | |
| 400 | A | A | -0.3417 | |
| 401 | H | A | -0.3348 | |
| 402 | Y | A | 0.9982 | |
| 403 | A | A | 0.1243 | |
| 404 | G | A | -0.5481 | |
| 405 | V | A | -0.1834 | |
| 406 | A | A | -0.5284 | |
| 407 | A | A | -0.8117 | |
| 408 | E | A | -2.2204 | |
| 409 | K | A | -1.8241 | |
| 410 | A | A | -0.6108 | |
| 411 | A | A | -0.3613 | |
| 412 | A | A | 0.0650 | |
| 413 | V | A | 1.3196 | |
| 414 | G | A | 0.4686 | |
| 415 | W | A | 1.3550 | |
| 416 | T | A | 1.1839 | |
| 417 | A | A | 1.0817 | |
| 418 | A | A | 0.4595 | |
| 419 | H | A | -0.5583 | |
| 420 | F | A | 0.6303 | |
| 421 | T | A | -0.4042 | |
| 422 | T | A | -1.0986 | |
| 423 | E | A | -2.1232 | |
| 424 | K | A | -2.3185 | |
| 425 | V | A | -0.7253 | |
| 426 | V | A | -0.9762 | |
| 427 | Q | A | -2.1796 | |
| 428 | G | A | -1.1835 | |
| 429 | T | A | -0.7860 | |
| 430 | K | A | -1.5080 | |
| 431 | A | A | -0.1871 | |
| 432 | V | A | 0.8720 | |
| 433 | A | A | -0.0315 | |
| 434 | G | A | -0.5735 | |
| 435 | T | A | 0.3751 | |
| 436 | V | A | 1.1376 | |
| 437 | E | A | -0.6341 | |
| 438 | G | A | -0.4586 | |
| 439 | A | A | 0.7120 | |
| 440 | V | A | 1.7968 | |
| 441 | G | A | 0.6163 | |
| 442 | Y | A | 1.5404 | |
| 443 | A | A | 0.2640 | |
| 444 | G | A | -0.7221 | |
| 445 | H | A | -1.8057 | |
| 446 | K | A | -1.9067 | |
| 447 | A | A | -0.1189 | |
| 448 | V | A | 0.5426 | |
| 449 | E | A | -1.1674 | |
| 450 | V | A | 0.5628 | |
| 451 | G | A | -0.0030 | |
| 452 | S | A | -0.7787 | |
| 453 | K | A | -1.6100 | |
| 454 | A | A | -0.8338 | |
| 455 | V | A | -1.0962 | |
| 456 | D | A | -2.9937 | |
| 457 | L | A | -1.8070 | |
| 458 | T | A | -2.1291 | |
| 459 | K | A | -3.0083 | |
| 460 | E | A | -3.0793 | |
| 461 | K | A | -2.6532 | |
| 462 | A | A | -1.5534 | |
| 463 | A | A | -0.9876 | |
| 464 | V | A | 0.2256 | |
| 465 | A | A | 0.0372 | |
| 466 | A | A | 0.3200 | |
| 467 | D | A | -0.1825 | |
| 468 | T | A | 0.9912 | |
| 469 | V | A | 2.1518 | |
| 470 | V | A | 1.9400 | |
| 471 | G | A | 0.2217 | |
| 472 | Y | A | 0.2594 | |
| 473 | T | A | -0.5655 | |
| 474 | A | A | -1.5542 | |
| 475 | R | A | -3.5479 | |
| 476 | K | A | -4.0186 | |
| 477 | K | A | -4.4084 | |
| 478 | E | A | -5.1786 | |
| 479 | E | A | -4.6702 | |
| 480 | A | A | -4.2530 | |
| 481 | Q | A | -4.9669 | |
| 482 | H | A | -4.9892 | |
| 483 | R | A | -5.0245 | |
| 484 | D | A | -4.8145 | |
| 485 | Q | A | -4.4976 | |
| 486 | E | A | -4.4063 | |
| 487 | M | A | -2.6062 | |
| 488 | H | A | -3.3210 | |
| 489 | Q | A | -3.4597 | |
| 490 | G | A | -2.6499 | |
| 491 | G | A | -2.7991 | |
| 492 | E | A | -4.0471 | |
| 493 | E | A | -4.4914 | |
| 494 | E | A | -4.3722 | |
| 495 | K | A | -4.1454 | |
| 496 | Q | A | -2.7616 | |
| 497 | P | A | -1.1226 | |
| 498 | G | A | 0.3393 | |
| 499 | F | A | 2.3218 | |
| 500 | V | A | 2.3561 | |
| 501 | S | A | 0.7128 | |
| 502 | G | A | -0.5331 | |
| 503 | A | A | -1.5397 | |
| 504 | R | A | -3.0899 | |
| 505 | R | A | -3.3194 | |
| 506 | D | A | -2.3010 | |
| 507 | F | A | -0.1309 | |
| 508 | G | A | -1.0695 | |
| 509 | E | A | -2.2489 | |
| 510 | E | A | -2.2698 | |
| 511 | Y | A | -0.5750 | |
| 512 | G | A | -1.7266 | |
| 513 | E | A | -3.1239 | |
| 514 | E | A | -3.8359 | |
| 515 | R | A | -3.4721 | |
| 516 | G | A | -2.4501 | |
| 517 | S | A | -2.0919 | |
| 518 | E | A | -3.2585 | |
| 519 | K | A | -3.1171 | |
| 520 | D | A | -1.8314 | |
| 521 | V | A | 1.0561 | |
| 522 | Y | A | 1.8133 | |
| 523 | G | A | 1.0771 | |
| 524 | Y | A | 1.1853 | |
| 525 | G | A | -0.2713 | |
| 526 | A | A | -0.7924 | |
| 527 | K | A | -1.5929 | |
| 528 | G | A | -0.5123 | |
| 529 | I | A | 1.2023 | |
| 530 | P | A | -0.0129 | |
| 531 | G | A | -1.3078 | |
| 532 | E | A | -2.7461 | |
| 533 | G | A | -2.7076 | |
| 534 | R | A | -3.0087 | |
| 535 | G | A | -2.2219 | |
| 536 | D | A | -1.7744 | |
| 537 | V | A | -0.0493 | |
| 538 | G | A | -0.9184 | |
| 539 | E | A | -2.0311 | |
| 540 | A | A | -1.6508 | |
| 541 | E | A | -1.6526 | |
| 542 | Y | A | -0.1689 | |
| 543 | G | A | -1.3354 | |
| 544 | R | A | -2.0850 | |
| 545 | G | A | -1.9805 | |
| 546 | S | A | -2.1727 | |
| 547 | E | A | -3.2491 | |
| 548 | K | A | -3.2471 | |
| 549 | D | A | -1.9147 | |
| 550 | V | A | 1.3914 | |
| 551 | F | A | 2.4255 | |
| 552 | G | A | 1.6137 | |
| 553 | Y | A | 1.1995 | |
| 554 | G | A | -0.0338 | |
| 555 | P | A | -1.0930 | |
| 556 | K | A | -1.9973 | |
| 557 | G | A | -1.2886 | |
| 558 | T | A | -0.3267 | |
| 559 | V | A | 0.1847 | |
| 560 | E | A | -1.8879 | |
| 561 | E | A | -2.7326 | |
| 562 | A | A | -2.8993 | |
| 563 | R | A | -3.5452 | |
| 564 | R | A | -3.3478 | |
| 565 | D | A | -2.6684 | |
| 566 | V | A | -0.3625 | |
| 567 | G | A | -1.4289 | |
| 568 | E | A | -2.4977 | |
| 569 | E | A | -2.1672 | |
| 570 | Y | A | -0.3847 | |
| 571 | G | A | -0.8935 | |
| 572 | G | A | -1.2900 | |
| 573 | G | A | -1.6990 | |
| 574 | R | A | -2.5031 | |
| 575 | G | A | -2.2401 | |
| 576 | S | A | -2.2529 | |
| 577 | E | A | -2.5166 | |
| 578 | R | A | -2.0927 | |
| 579 | Y | A | 0.1258 | |
| 580 | V | A | -0.0824 | |
| 581 | E | A | -2.2191 | |
| 582 | E | A | -2.7490 | |
| 583 | E | A | -2.7285 | |
| 584 | G | A | -1.4180 | |
| 585 | V | A | 0.5391 | |
| 586 | G | A | -0.0933 | |
| 587 | A | A | -0.0508 | |
| 588 | G | A | 0.0310 | |
| 589 | G | A | 0.6950 | |
| 590 | V | A | 2.2880 | |
| 591 | L | A | 2.0231 | |
| 592 | G | A | 0.6217 | |
| 593 | A | A | 0.6519 | |
| 594 | I | A | 1.4795 | |
| 595 | G | A | 0.2125 | |
| 596 | E | A | -1.1484 | |
| 597 | T | A | 0.1232 | |
| 598 | I | A | 1.4330 | |
| 599 | A | A | -0.2335 | |
| 600 | E | A | -1.3760 | |
| 601 | I | A | 0.6666 | |
| 602 | A | A | -0.2277 | |
| 603 | Q | A | -1.2072 | |
| 604 | T | A | -0.4020 | |
| 605 | T | A | 0.3997 | |
| 606 | K | A | -0.5818 | |
| 607 | N | A | 0.2844 | |
| 608 | I | A | 2.1182 | |
| 609 | V | A | 2.5319 | |
| 610 | I | A | 2.1919 | |
| 611 | G | A | 0.5488 | |
| 612 | D | A | -0.5997 | |
| 613 | A | A | -0.2497 | |
| 614 | P | A | -0.1999 | |
| 615 | V | A | 0.3564 | |
| 616 | R | A | -1.6569 | |
| 617 | T | A | -1.6651 | |
| 618 | H | A | -2.6314 | |
| 619 | E | A | -3.2196 | |
| 620 | H | A | -2.4286 | |
| 621 | G | A | -1.8617 | |
| 622 | T | A | -1.2290 | |
| 623 | T | A | -1.1727 | |
| 624 | D | A | -1.7346 | |
| 625 | P | A | -1.4480 | |
| 626 | D | A | -2.0974 | |
| 627 | Y | A | -0.5438 | |
| 628 | M | A | -0.7405 | |
| 629 | R | A | -3.0508 | |
| 630 | R | A | -3.6086 | |
| 631 | E | A | -3.6941 | |
| 632 | H | A | -3.3539 | |
| 633 | G | A | -3.0409 | |
| 634 | Q | A | -2.8580 | |
| 635 | R | A | -2.6763 |
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 | -1.3594 | 5.2621 | View | CSV | PDB |
| 4.5 | -1.5006 | 5.1896 | View | CSV | PDB |
| 5.0 | -1.6821 | 5.1075 | View | CSV | PDB |
| 5.5 | -1.8649 | 5.0217 | View | CSV | PDB |
| 6.0 | -2.0057 | 4.9811 | View | CSV | PDB |
| 6.5 | -2.0724 | 4.9811 | View | CSV | PDB |
| 7.0 | -2.0631 | 4.9811 | View | CSV | PDB |
| 7.5 | -2.0024 | 4.9811 | View | CSV | PDB |
| 8.0 | -1.9161 | 4.9811 | View | CSV | PDB |
| 8.5 | -1.8155 | 4.9811 | View | CSV | PDB |
| 9.0 | -1.7024 | 4.9811 | 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