| Chain sequence(s) |
A: MGLPWYRVHTVVLNDPGRLLAVHIMHTALVAGWAGSMALYELAVFDPSDPVLDPMWRQGMFVIPFMTRLGITNSWGGWNITGGTITNPGLWSYEGVAGAHIVFSGLCFLAAIWHWVYWDLEIFCDERTGKPSLDLPKIFGIHLFLSGVACFGFGAFHVTGLYGPGIWVSDPYGLTGKVQPVNPAWGVEGFDPFVPGGIASHHIAAGTLGILAGLFHLSVRPPQRLYKGLRMGNIETVLSSSIAAVFFAAFVVAGTMWYGSATTPIELFGPTRYQWDQGYFQQEIYRRVSAGLAENQSLSEAWAKIPEKLAFYDYIGNNPAKGGLFRAGSMDNGDGIAVGWLGHPVFRNKEGRELFVRRMPTFFETFPVVLVDGDGIVRADVPFRRAESKYSVEQVGVTVEFYGGELNGVSYSDPATVKKYARRAQLGEIFELDRATLKSDGVFRSSPRGWFTFGHASFALLFFFGHIWHGARTLFRDVFAGIDPDLDAQVEFGAFQKLGDPTTKRQAV
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 globular. Max 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 (00:04:51)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/eeb09cafc8364e7/tmp/folded.pdb (00:04:51)
[INFO] Main: Simulation completed successfully. (00:07:00)
|
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 | 1.1201 | |
| 2 | G | A | 0.8658 | |
| 3 | L | A | 2.0117 | |
| 4 | P | A | 1.6314 | |
| 5 | W | A | 2.0817 | |
| 6 | Y | A | 1.9212 | |
| 7 | R | A | 1.1583 | |
| 8 | V | A | 1.8398 | |
| 9 | H | A | 0.8085 | |
| 10 | T | A | 0.9431 | |
| 11 | V | A | 1.7111 | |
| 12 | V | A | 0.0000 | |
| 13 | L | A | 0.4340 | |
| 14 | N | A | -0.8489 | |
| 15 | D | A | -0.5535 | |
| 16 | P | A | 0.1342 | |
| 17 | G | A | 0.0000 | |
| 18 | R | A | 0.7297 | |
| 19 | L | A | 0.3301 | |
| 20 | L | A | 0.3683 | |
| 21 | A | A | 0.0000 | |
| 22 | V | A | 0.0806 | |
| 23 | H | A | -0.6633 | |
| 24 | I | A | 1.0075 | |
| 25 | M | A | 1.2171 | |
| 26 | H | A | 0.1361 | |
| 27 | T | A | 0.9772 | |
| 28 | A | A | 0.0000 | |
| 29 | L | A | 2.5706 | |
| 30 | V | A | 2.5748 | |
| 31 | A | A | 0.0000 | |
| 32 | G | A | 2.1380 | |
| 33 | W | A | 2.1840 | |
| 34 | A | A | 1.4908 | |
| 35 | G | A | 0.0000 | |
| 36 | S | A | 1.2722 | |
| 37 | M | A | 1.2920 | |
| 38 | A | A | 0.0000 | |
| 39 | L | A | 2.1196 | |
| 40 | Y | A | 2.3458 | |
| 41 | E | A | 0.0000 | |
| 42 | L | A | 1.3012 | |
| 43 | A | A | 1.5646 | |
| 44 | V | A | 1.8903 | |
| 45 | F | A | 0.0000 | |
| 46 | D | A | -1.3506 | |
| 47 | P | A | -1.0658 | |
| 48 | S | A | -1.0713 | |
| 49 | D | A | -0.7235 | |
| 50 | P | A | -0.5138 | |
| 51 | V | A | 0.2912 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -0.2463 | |
| 54 | P | A | 0.0000 | |
| 55 | M | A | 0.0000 | |
| 56 | W | A | 0.0000 | |
| 57 | R | A | 0.0000 | |
| 58 | Q | A | -0.3449 | |
| 59 | G | A | -0.1193 | |
| 60 | M | A | 0.0000 | |
| 61 | F | A | 0.5723 | |
| 62 | V | A | 0.0000 | |
| 63 | I | A | 0.0000 | |
| 64 | P | A | 0.0000 | |
| 65 | F | A | 0.5684 | |
| 66 | M | A | 0.4958 | |
| 67 | T | A | 0.0000 | |
| 68 | R | A | -0.1597 | |
| 69 | L | A | 0.3075 | |
| 70 | G | A | -0.1299 | |
| 71 | I | A | 0.5308 | |
| 72 | T | A | -0.1309 | |
| 73 | N | A | 0.0987 | |
| 74 | S | A | 0.0000 | |
| 75 | W | A | 0.9394 | |
| 76 | G | A | -0.0953 | |
| 77 | G | A | -0.0956 | |
| 78 | W | A | -0.2019 | |
| 79 | N | A | -0.3210 | |
| 80 | I | A | 0.0000 | |
| 81 | T | A | -0.7651 | |
| 82 | G | A | -0.6845 | |
| 83 | G | A | -0.4867 | |
| 84 | T | A | -0.3205 | |
| 85 | I | A | -0.0584 | |
| 86 | T | A | -0.4198 | |
| 87 | N | A | -0.9358 | |
| 88 | P | A | 0.1094 | |
| 89 | G | A | 0.6216 | |
| 90 | L | A | 1.9268 | |
| 91 | W | A | 1.9562 | |
| 92 | S | A | 0.0000 | |
| 93 | Y | A | 0.0000 | |
| 94 | E | A | 0.4781 | |
| 95 | G | A | 0.7844 | |
| 96 | V | A | 0.7486 | |
| 97 | A | A | 0.0000 | |
| 98 | G | A | 0.8244 | |
| 99 | A | A | 1.1019 | |
| 100 | H | A | 1.4647 | |
| 101 | I | A | 2.4797 | |
| 102 | V | A | 3.1034 | |
| 103 | F | A | 2.8988 | |
| 104 | S | A | 3.0256 | |
| 105 | G | A | 2.7699 | |
| 106 | L | A | 3.3989 | |
| 107 | C | A | 0.0000 | |
| 108 | F | A | 3.4953 | |
| 109 | L | A | 3.2329 | |
| 110 | A | A | 2.3476 | |
| 111 | A | A | 0.0000 | |
| 112 | I | A | 3.0408 | |
| 113 | W | A | 2.9302 | |
| 114 | H | A | 2.1064 | |
| 115 | W | A | 2.3512 | |
| 116 | V | A | 2.9736 | |
| 117 | Y | A | 2.3757 | |
| 118 | W | A | 0.9197 | |
| 119 | D | A | -0.8350 | |
| 120 | L | A | -0.2151 | |
| 121 | E | A | -1.4216 | |
| 122 | I | A | 1.0003 | |
| 123 | F | A | -0.1998 | |
| 124 | C | A | -1.3529 | |
| 125 | D | A | -2.1976 | |
| 126 | E | A | -3.2345 | |
| 127 | R | A | -3.1565 | |
| 128 | T | A | -2.3304 | |
| 129 | G | A | -2.6130 | |
| 130 | K | A | -2.9176 | |
| 131 | P | A | -1.5173 | |
| 132 | S | A | -0.7316 | |
| 133 | L | A | 0.2287 | |
| 134 | D | A | -0.5004 | |
| 135 | L | A | 0.5326 | |
| 136 | P | A | 0.3044 | |
| 137 | K | A | 0.1641 | |
| 138 | I | A | 1.0252 | |
| 139 | F | A | 1.8694 | |
| 140 | G | A | 0.0000 | |
| 141 | I | A | 1.8644 | |
| 142 | H | A | 0.9834 | |
| 143 | L | A | 1.9547 | |
| 144 | F | A | 3.0155 | |
| 145 | L | A | 2.4460 | |
| 146 | S | A | 1.3046 | |
| 147 | G | A | 0.0000 | |
| 148 | V | A | 2.3901 | |
| 149 | A | A | 1.5444 | |
| 150 | C | A | 1.3579 | |
| 151 | F | A | 1.7767 | |
| 152 | G | A | 1.3553 | |
| 153 | F | A | 1.3531 | |
| 154 | G | A | 0.0000 | |
| 155 | A | A | 1.1896 | |
| 156 | F | A | 2.1645 | |
| 157 | H | A | 1.1643 | |
| 158 | V | A | 0.0000 | |
| 159 | T | A | 0.3523 | |
| 160 | G | A | 0.6783 | |
| 161 | L | A | 2.1461 | |
| 162 | Y | A | 2.2497 | |
| 163 | G | A | 0.9791 | |
| 164 | P | A | 0.1780 | |
| 165 | G | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | W | A | 0.0000 | |
| 168 | V | A | -0.4312 | |
| 169 | S | A | -0.6693 | |
| 170 | D | A | -0.6842 | |
| 171 | P | A | -0.0766 | |
| 172 | Y | A | 0.0419 | |
| 173 | G | A | 0.0000 | |
| 174 | L | A | -0.1000 | |
| 175 | T | A | -0.4695 | |
| 176 | G | A | 0.0000 | |
| 177 | K | A | -1.9989 | |
| 178 | V | A | 0.0000 | |
| 179 | Q | A | -1.6300 | |
| 180 | P | A | -0.5954 | |
| 181 | V | A | 0.0000 | |
| 182 | N | A | -1.1594 | |
| 183 | P | A | -0.4285 | |
| 184 | A | A | 0.3010 | |
| 185 | W | A | 1.1732 | |
| 186 | G | A | 0.9529 | |
| 187 | V | A | 1.6157 | |
| 188 | E | A | 0.2688 | |
| 189 | G | A | 1.0135 | |
| 190 | F | A | 1.8457 | |
| 191 | D | A | 0.5480 | |
| 192 | P | A | 0.8679 | |
| 193 | F | A | 1.8896 | |
| 194 | V | A | 1.2213 | |
| 195 | P | A | 0.5252 | |
| 196 | G | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | I | A | 0.1702 | |
| 199 | A | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | H | A | -0.3689 | |
| 202 | H | A | 0.0817 | |
| 203 | I | A | 0.7926 | |
| 204 | A | A | 0.4717 | |
| 205 | A | A | 0.7791 | |
| 206 | G | A | 0.0000 | |
| 207 | T | A | 1.6361 | |
| 208 | L | A | 2.5933 | |
| 209 | G | A | 2.3354 | |
| 210 | I | A | 2.9728 | |
| 211 | L | A | 3.0802 | |
| 212 | A | A | 2.3308 | |
| 213 | G | A | 0.0000 | |
| 214 | L | A | 3.0435 | |
| 215 | F | A | 2.7284 | |
| 216 | H | A | 1.7830 | |
| 217 | L | A | 1.6935 | |
| 218 | S | A | 0.9551 | |
| 219 | V | A | 0.9717 | |
| 220 | R | A | -1.2296 | |
| 221 | P | A | -1.1377 | |
| 222 | P | A | -1.3659 | |
| 223 | Q | A | -2.3947 | |
| 224 | R | A | -2.3998 | |
| 225 | L | A | -0.5633 | |
| 226 | Y | A | -0.9838 | |
| 227 | K | A | -2.1095 | |
| 228 | G | A | -0.9130 | |
| 229 | L | A | 0.5767 | |
| 230 | R | A | -0.5901 | |
| 231 | M | A | -0.0318 | |
| 232 | G | A | -0.4613 | |
| 233 | N | A | 0.0525 | |
| 234 | I | A | 0.7060 | |
| 235 | E | A | 0.0000 | |
| 236 | T | A | 0.9009 | |
| 237 | V | A | 1.7606 | |
| 238 | L | A | 1.2576 | |
| 239 | S | A | 0.0000 | |
| 240 | S | A | 0.8784 | |
| 241 | S | A | 1.0416 | |
| 242 | I | A | 1.9876 | |
| 243 | A | A | 1.9262 | |
| 244 | A | A | 1.5152 | |
| 245 | V | A | 2.7536 | |
| 246 | F | A | 0.0000 | |
| 247 | F | A | 3.5196 | |
| 248 | A | A | 2.4080 | |
| 249 | A | A | 0.0000 | |
| 250 | F | A | 2.8076 | |
| 251 | V | A | 2.8647 | |
| 252 | V | A | 1.7950 | |
| 253 | A | A | 0.0000 | |
| 254 | G | A | 1.0830 | |
| 255 | T | A | 1.0143 | |
| 256 | M | A | 0.0000 | |
| 257 | W | A | 1.1332 | |
| 258 | Y | A | 1.3051 | |
| 259 | G | A | 0.9230 | |
| 260 | S | A | 0.8618 | |
| 261 | A | A | 0.8198 | |
| 262 | T | A | 0.4646 | |
| 263 | T | A | 0.0000 | |
| 264 | P | A | 0.1999 | |
| 265 | I | A | 0.2124 | |
| 266 | E | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | F | A | 0.0000 | |
| 269 | G | A | 0.0000 | |
| 270 | P | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | R | A | -0.4381 | |
| 273 | Y | A | -0.3134 | |
| 274 | Q | A | -0.4966 | |
| 275 | W | A | -0.8814 | |
| 276 | D | A | -1.6706 | |
| 277 | Q | A | -1.8067 | |
| 278 | G | A | -1.1942 | |
| 279 | Y | A | -0.5861 | |
| 280 | F | A | 0.0000 | |
| 281 | Q | A | -0.9493 | |
| 282 | Q | A | -1.6661 | |
| 283 | E | A | 0.0000 | |
| 284 | I | A | 0.0000 | |
| 285 | Y | A | -0.7890 | |
| 286 | R | A | -2.0392 | |
| 287 | R | A | -1.4619 | |
| 288 | V | A | 0.0000 | |
| 289 | S | A | -0.8376 | |
| 290 | A | A | -1.0118 | |
| 291 | G | A | -1.4198 | |
| 292 | L | A | -0.8176 | |
| 293 | A | A | -1.0510 | |
| 294 | E | A | -2.2967 | |
| 295 | N | A | -2.1378 | |
| 296 | Q | A | -1.5228 | |
| 297 | S | A | -0.8336 | |
| 298 | L | A | -0.2547 | |
| 299 | S | A | -0.9237 | |
| 300 | E | A | -1.5935 | |
| 301 | A | A | 0.0000 | |
| 302 | W | A | 0.0000 | |
| 303 | A | A | -1.5956 | |
| 304 | K | A | -2.1536 | |
| 305 | I | A | 0.0000 | |
| 306 | P | A | -0.8849 | |
| 307 | E | A | -1.0573 | |
| 308 | K | A | -0.3495 | |
| 309 | L | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | F | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | D | A | 0.0000 | |
| 314 | Y | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | N | A | 0.0000 | |
| 318 | N | A | 0.0000 | |
| 319 | P | A | 0.0000 | |
| 320 | A | A | 0.1553 | |
| 321 | K | A | -0.0419 | |
| 322 | G | A | 0.1803 | |
| 323 | G | A | 1.0728 | |
| 324 | L | A | 2.4894 | |
| 325 | F | A | 2.3889 | |
| 326 | R | A | 0.9426 | |
| 327 | A | A | 0.3806 | |
| 328 | G | A | -0.5112 | |
| 329 | S | A | -0.4451 | |
| 330 | M | A | 0.0000 | |
| 331 | D | A | 0.0000 | |
| 332 | N | A | -1.2366 | |
| 333 | G | A | 0.0000 | |
| 334 | D | A | 0.0000 | |
| 335 | G | A | 0.0000 | |
| 336 | I | A | 0.1322 | |
| 337 | A | A | 0.0000 | |
| 338 | V | A | 1.2487 | |
| 339 | G | A | -0.1973 | |
| 340 | W | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | G | A | 0.0000 | |
| 343 | H | A | -0.4599 | |
| 344 | P | A | 0.0000 | |
| 345 | V | A | -0.2110 | |
| 346 | F | A | 0.0000 | |
| 347 | R | A | -1.9882 | |
| 348 | N | A | 0.0000 | |
| 349 | K | A | -3.2336 | |
| 350 | E | A | -3.3438 | |
| 351 | G | A | -2.7069 | |
| 352 | R | A | -2.8416 | |
| 353 | E | A | -2.3729 | |
| 354 | L | A | 0.0000 | |
| 355 | F | A | 0.3282 | |
| 356 | V | A | 0.0000 | |
| 357 | R | A | -0.7484 | |
| 358 | R | A | -0.8285 | |
| 359 | M | A | 0.0000 | |
| 360 | P | A | 0.2408 | |
| 361 | T | A | 0.0000 | |
| 362 | F | A | 2.0252 | |
| 363 | F | A | 1.1374 | |
| 364 | E | A | -0.7544 | |
| 365 | T | A | -0.2243 | |
| 366 | F | A | 0.0336 | |
| 367 | P | A | -0.0063 | |
| 368 | V | A | 0.0000 | |
| 369 | V | A | 0.0324 | |
| 370 | L | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | D | A | -0.8945 | |
| 373 | G | A | -1.3667 | |
| 374 | D | A | -1.6880 | |
| 375 | G | A | -0.4923 | |
| 376 | I | A | 0.7965 | |
| 377 | V | A | 0.8784 | |
| 378 | R | A | 0.0017 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | -0.0484 | |
| 381 | V | A | -0.0751 | |
| 382 | P | A | -0.4339 | |
| 383 | F | A | 0.6240 | |
| 384 | R | A | -2.1200 | |
| 385 | R | A | -2.9217 | |
| 386 | A | A | -2.2237 | |
| 387 | E | A | -3.1263 | |
| 388 | S | A | -2.5071 | |
| 389 | K | A | -2.6799 | |
| 390 | Y | A | -1.2920 | |
| 391 | S | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | E | A | -2.5209 | |
| 394 | Q | A | -2.2519 | |
| 395 | V | A | -1.8844 | |
| 396 | G | A | -2.1605 | |
| 397 | V | A | 0.0000 | |
| 398 | T | A | -1.2417 | |
| 399 | V | A | 0.0000 | |
| 400 | E | A | -0.4883 | |
| 401 | F | A | 0.0000 | |
| 402 | Y | A | 0.0000 | |
| 403 | G | A | 0.0000 | |
| 404 | G | A | -1.7318 | |
| 405 | E | A | -2.2644 | |
| 406 | L | A | -1.1365 | |
| 407 | N | A | -1.5436 | |
| 408 | G | A | -0.8359 | |
| 409 | V | A | -0.0907 | |
| 410 | S | A | -0.2880 | |
| 411 | Y | A | -0.2990 | |
| 412 | S | A | -1.1421 | |
| 413 | D | A | -1.6840 | |
| 414 | P | A | -1.5419 | |
| 415 | A | A | -0.9499 | |
| 416 | T | A | -1.0279 | |
| 417 | V | A | 0.0000 | |
| 418 | K | A | -1.6073 | |
| 419 | K | A | -1.7621 | |
| 420 | Y | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | R | A | -2.1962 | |
| 423 | R | A | -1.4054 | |
| 424 | A | A | 0.0000 | |
| 425 | Q | A | 0.0000 | |
| 426 | L | A | -0.3075 | |
| 427 | G | A | 0.0000 | |
| 428 | E | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | F | A | 0.0000 | |
| 431 | E | A | -1.2257 | |
| 432 | L | A | -0.5103 | |
| 433 | D | A | -0.9978 | |
| 434 | R | A | -2.3679 | |
| 435 | A | A | -1.2727 | |
| 436 | T | A | -0.6658 | |
| 437 | L | A | -0.7724 | |
| 438 | K | A | -2.3842 | |
| 439 | S | A | 0.0000 | |
| 440 | D | A | -2.2728 | |
| 441 | G | A | -1.3453 | |
| 442 | V | A | -0.2700 | |
| 443 | F | A | -0.2734 | |
| 444 | R | A | 0.0703 | |
| 445 | S | A | 0.0000 | |
| 446 | S | A | 0.0000 | |
| 447 | P | A | 0.0000 | |
| 448 | R | A | 0.0000 | |
| 449 | G | A | 0.0000 | |
| 450 | W | A | 0.9683 | |
| 451 | F | A | 0.0000 | |
| 452 | T | A | 0.9899 | |
| 453 | F | A | 1.9495 | |
| 454 | G | A | 0.9207 | |
| 455 | H | A | 1.4763 | |
| 456 | A | A | 1.8599 | |
| 457 | S | A | 2.0150 | |
| 458 | F | A | 3.6074 | |
| 459 | A | A | 0.0000 | |
| 460 | L | A | 3.7147 | |
| 461 | L | A | 3.9376 | |
| 462 | F | A | 4.2359 | |
| 463 | F | A | 4.3319 | |
| 464 | F | A | 4.3642 | |
| 465 | G | A | 2.8375 | |
| 466 | H | A | 2.4729 | |
| 467 | I | A | 3.1588 | |
| 468 | W | A | 2.2979 | |
| 469 | H | A | 1.4676 | |
| 470 | G | A | 1.4732 | |
| 471 | A | A | 1.1410 | |
| 472 | R | A | 0.3996 | |
| 473 | T | A | 0.0000 | |
| 474 | L | A | 0.7494 | |
| 475 | F | A | 1.3554 | |
| 476 | R | A | -1.2333 | |
| 477 | D | A | -1.2794 | |
| 478 | V | A | 0.7142 | |
| 479 | F | A | 1.0142 | |
| 480 | A | A | 0.3989 | |
| 481 | G | A | 0.2423 | |
| 482 | I | A | 1.1269 | |
| 483 | D | A | -1.6692 | |
| 484 | P | A | -1.5461 | |
| 485 | D | A | -2.3783 | |
| 486 | L | A | -1.0894 | |
| 487 | D | A | -2.2966 | |
| 488 | A | A | -1.0196 | |
| 489 | Q | A | -0.7251 | |
| 490 | V | A | 0.9899 | |
| 491 | E | A | -0.3164 | |
| 492 | F | A | 1.4279 | |
| 493 | G | A | -0.3427 | |
| 494 | A | A | -1.2598 | |
| 495 | F | A | -2.2955 | |
| 496 | Q | A | -2.7462 | |
| 497 | K | A | -2.4431 | |
| 498 | L | A | 0.0132 | |
| 499 | G | A | -0.5179 | |
| 500 | D | A | -1.6791 | |
| 501 | P | A | -1.7141 | |
| 502 | T | A | -1.5538 | |
| 503 | T | A | -2.4146 | |
| 504 | K | A | -3.5360 | |
| 505 | R | A | -3.5425 | |
| 506 | Q | A | -2.1427 | |
| 507 | A | A | -0.3415 | |
| 508 | V | A | 1.2369 |
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 | 0.6049 | 8.4148 | View | CSV | PDB |
| 4.5 | 0.5607 | 8.4302 | View | CSV | PDB |
| 5.0 | 0.511 | 8.455 | View | CSV | PDB |
| 5.5 | 0.4641 | 8.4807 | View | CSV | PDB |
| 6.0 | 0.4258 | 8.4978 | View | CSV | PDB |
| 6.5 | 0.3991 | 8.5056 | View | CSV | PDB |
| 7.0 | 0.3851 | 8.5085 | View | CSV | PDB |
| 7.5 | 0.381 | 8.5095 | View | CSV | PDB |
| 8.0 | 0.3841 | 8.5098 | View | CSV | PDB |
| 8.5 | 0.3944 | 8.5099 | View | CSV | PDB |
| 9.0 | 0.4121 | 8.5099 | 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