| Chain sequence(s) |
A: MILGKIWKGKKSLFGALNGEFYVPAGTIITANGTGVPDGAGPGFGADLARELERVAEGMWIWKWINYPAAVMPMRPSINTLRLALKEMIRTTPGKIVLSAYSQSAVAFAYVWRDDILNPDGELHDRLDDIVAVILYGNPVRAPGIAYGNELGGQSAPGKLNGHVTGGIAGPDCLRPEECVHPVTGRRIVLDFANAGDLYAAAPVGAEPWVKETEVGHNETLIYEAVMDFNGRDILAFAKEIAQILTMPLSQVVPLVQAIINGLSFLVQGPKAPHWTYTIGPAVDYLVRTGNELRKNAGAGAGAGGSTERVLPYDRNIVPQETGWWCGPAATQVVLNSRGIIVPEATLANEIEQIENPGRGDDRDGTDYVGLIEQVLDRRVPEAKYTSVYMPNDPPTAAQREALWQNIVRSINAGWGVIMNWVAPPSNKPRGVKGSPNPKYSGGTTYHYVACMGYDDTPGARALWIADSGFQPFNYWISFDQAATLIPPKGYAYAATTATAPAPAPAPVDAAPILARAAGISEAKAREILPTFRDGLRLAECNNVPRIAMFIAQTGHESDNFNATQEYDHGRNYGDPNEATDRWKYKGRTWIQITWRGNYERFSRWCFDRKLVPTPTYFVDNPRALADVRWAGIGAAWYWTVERPSINRLCDERNLTEVTRLINGGTSWEAPTWMKHRKERYDRALAVGNDLLKLLDGEEEGFLSALTPKEQRELYDEIMKRGPSRSFLADDGRQIETLLGFIYNIDGNAWNIVNILGCLIGVPECVDDIRDVAENGVRKGSYAESNPWLAQFGQEFCKRLLPLAGKLSELLNAQEFKVTHNRIIEQGSYGRKKRRQRRR
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] (00:00:02)
[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 globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/dafc13d46441374/tmp/folded.pdb (00:15:42)
[INFO] Main: Simulation completed successfully. (00:26:04)
|
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 | 2.1112 | |
| 2 | I | A | 3.0156 | |
| 3 | L | A | 2.7663 | |
| 4 | G | A | 0.8810 | |
| 5 | K | A | -0.0443 | |
| 6 | I | A | 1.5371 | |
| 7 | W | A | 0.2447 | |
| 8 | K | A | -2.0610 | |
| 9 | G | A | -1.6281 | |
| 10 | K | A | -1.3637 | |
| 11 | K | A | -1.7512 | |
| 12 | S | A | -0.6884 | |
| 13 | L | A | 1.2262 | |
| 14 | F | A | 1.5194 | |
| 15 | G | A | 0.0000 | |
| 16 | A | A | 0.9995 | |
| 17 | L | A | 1.6669 | |
| 18 | N | A | -0.3444 | |
| 19 | G | A | -0.5187 | |
| 20 | E | A | -0.4226 | |
| 21 | F | A | 1.8513 | |
| 22 | Y | A | 1.7961 | |
| 23 | V | A | 2.2807 | |
| 24 | P | A | 1.0763 | |
| 25 | A | A | -0.1949 | |
| 26 | G | A | 0.1078 | |
| 27 | T | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | I | A | 0.0000 | |
| 30 | T | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | N | A | 0.0000 | |
| 33 | G | A | 0.0000 | |
| 34 | T | A | 0.2254 | |
| 35 | G | A | -0.1002 | |
| 36 | V | A | -0.1385 | |
| 37 | P | A | -0.6376 | |
| 38 | D | A | -0.8589 | |
| 39 | G | A | 0.0000 | |
| 40 | A | A | -0.5344 | |
| 41 | G | A | -0.4682 | |
| 42 | P | A | -0.4604 | |
| 43 | G | A | 0.0000 | |
| 44 | F | A | -0.1365 | |
| 45 | G | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | D | A | -1.1633 | |
| 48 | L | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | R | A | -1.9723 | |
| 51 | E | A | -1.8399 | |
| 52 | L | A | 0.0000 | |
| 53 | E | A | -2.4697 | |
| 54 | R | A | -2.6575 | |
| 55 | V | A | -0.9879 | |
| 56 | A | A | -1.3323 | |
| 57 | E | A | -2.4059 | |
| 58 | G | A | -0.3485 | |
| 59 | M | A | 0.1239 | |
| 60 | W | A | 0.0000 | |
| 61 | I | A | 1.0320 | |
| 62 | W | A | 0.4826 | |
| 63 | K | A | 0.1651 | |
| 64 | W | A | -0.0115 | |
| 65 | I | A | 0.0000 | |
| 66 | N | A | -0.7543 | |
| 67 | Y | A | 0.0000 | |
| 68 | P | A | -0.4073 | |
| 69 | A | A | 0.0000 | |
| 70 | A | A | 0.0771 | |
| 71 | V | A | 0.4193 | |
| 72 | M | A | -0.4667 | |
| 73 | P | A | -1.1538 | |
| 74 | M | A | 0.0000 | |
| 75 | R | A | -1.4622 | |
| 76 | P | A | -1.2004 | |
| 77 | S | A | 0.0000 | |
| 78 | I | A | 0.0000 | |
| 79 | N | A | -0.9757 | |
| 80 | T | A | -0.3772 | |
| 81 | L | A | 0.0000 | |
| 82 | R | A | -0.3644 | |
| 83 | L | A | 0.5555 | |
| 84 | A | A | -0.3551 | |
| 85 | L | A | 0.0000 | |
| 86 | K | A | -1.2732 | |
| 87 | E | A | -1.9353 | |
| 88 | M | A | -1.0236 | |
| 89 | I | A | 0.0000 | |
| 90 | R | A | -2.2178 | |
| 91 | T | A | -1.1364 | |
| 92 | T | A | 0.0000 | |
| 93 | P | A | -0.8174 | |
| 94 | G | A | -1.1904 | |
| 95 | K | A | -1.2493 | |
| 96 | I | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | S | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | S | A | 0.0514 | |
| 103 | Q | A | 0.0000 | |
| 104 | S | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | A | A | 0.0000 | |
| 108 | F | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | Y | A | -0.3999 | |
| 111 | V | A | 0.0000 | |
| 112 | W | A | 0.0000 | |
| 113 | R | A | -0.8696 | |
| 114 | D | A | -1.5246 | |
| 115 | D | A | 0.0000 | |
| 116 | I | A | 0.0000 | |
| 117 | L | A | -1.4152 | |
| 118 | N | A | -1.8741 | |
| 119 | P | A | -2.0713 | |
| 120 | D | A | -2.8738 | |
| 121 | G | A | -2.6500 | |
| 122 | E | A | -3.0255 | |
| 123 | L | A | 0.0000 | |
| 124 | H | A | -2.6556 | |
| 125 | D | A | -2.9843 | |
| 126 | R | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | D | A | -2.2670 | |
| 129 | D | A | -1.8878 | |
| 130 | I | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | A | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | Y | A | 0.0000 | |
| 137 | G | A | 0.0000 | |
| 138 | N | A | 0.0000 | |
| 139 | P | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | R | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | P | A | 0.0000 | |
| 144 | G | A | -0.6527 | |
| 145 | I | A | -0.1981 | |
| 146 | A | A | 0.0000 | |
| 147 | Y | A | -0.8078 | |
| 148 | G | A | 0.0000 | |
| 149 | N | A | -1.5432 | |
| 150 | E | A | -2.3233 | |
| 151 | L | A | -1.1736 | |
| 152 | G | A | -1.6627 | |
| 153 | G | A | -1.8370 | |
| 154 | Q | A | -2.2640 | |
| 155 | S | A | -1.5455 | |
| 156 | A | A | -1.0959 | |
| 157 | P | A | 0.0000 | |
| 158 | G | A | -1.5133 | |
| 159 | K | A | -2.1944 | |
| 160 | L | A | -1.3489 | |
| 161 | N | A | -1.7158 | |
| 162 | G | A | -1.6308 | |
| 163 | H | A | -1.2568 | |
| 164 | V | A | -0.9403 | |
| 165 | T | A | 0.0000 | |
| 166 | G | A | 0.0000 | |
| 167 | G | A | 0.0000 | |
| 168 | I | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | G | A | 0.0000 | |
| 171 | P | A | -0.9232 | |
| 172 | D | A | -0.9556 | |
| 173 | C | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | R | A | -1.8399 | |
| 176 | P | A | -1.5730 | |
| 177 | E | A | -2.3947 | |
| 178 | E | A | -1.6451 | |
| 179 | C | A | 0.0000 | |
| 180 | V | A | -1.0754 | |
| 181 | H | A | 0.0000 | |
| 182 | P | A | -0.0845 | |
| 183 | V | A | 1.1968 | |
| 184 | T | A | 0.1150 | |
| 185 | G | A | -0.8830 | |
| 186 | R | A | -1.2808 | |
| 187 | R | A | -1.6200 | |
| 188 | I | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | D | A | 0.0000 | |
| 192 | F | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | N | A | -0.5063 | |
| 195 | A | A | -0.4852 | |
| 196 | G | A | -0.2658 | |
| 197 | D | A | 0.0000 | |
| 198 | L | A | 0.6893 | |
| 199 | Y | A | 0.3837 | |
| 200 | A | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | P | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | G | A | 0.0000 | |
| 206 | A | A | -0.8012 | |
| 207 | E | A | -1.5735 | |
| 208 | P | A | 0.0000 | |
| 209 | W | A | -0.3830 | |
| 210 | V | A | 0.4540 | |
| 211 | K | A | -1.6867 | |
| 212 | E | A | -1.7468 | |
| 213 | T | A | 0.0000 | |
| 214 | E | A | -2.2047 | |
| 215 | V | A | -0.9694 | |
| 216 | G | A | 0.0000 | |
| 217 | H | A | -1.6763 | |
| 218 | N | A | -1.1351 | |
| 219 | E | A | -0.9140 | |
| 220 | T | A | 0.0000 | |
| 221 | L | A | -0.3441 | |
| 222 | I | A | -0.2308 | |
| 223 | Y | A | 0.0000 | |
| 224 | E | A | -1.5812 | |
| 225 | A | A | -1.1390 | |
| 226 | V | A | 0.0000 | |
| 227 | M | A | 0.0000 | |
| 228 | D | A | -2.5735 | |
| 229 | F | A | 0.0000 | |
| 230 | N | A | -2.3932 | |
| 231 | G | A | -1.9450 | |
| 232 | R | A | -2.5634 | |
| 233 | D | A | -1.5867 | |
| 234 | I | A | -0.3943 | |
| 235 | L | A | 0.1545 | |
| 236 | A | A | -0.9274 | |
| 237 | F | A | 0.0000 | |
| 238 | A | A | 0.0000 | |
| 239 | K | A | -2.1880 | |
| 240 | E | A | -2.5523 | |
| 241 | I | A | 0.0000 | |
| 242 | A | A | -1.3810 | |
| 243 | Q | A | -1.7728 | |
| 244 | I | A | -0.4419 | |
| 245 | L | A | 0.0000 | |
| 246 | T | A | -0.2561 | |
| 247 | M | A | -0.2966 | |
| 248 | P | A | -0.5509 | |
| 249 | L | A | -0.4049 | |
| 250 | S | A | -0.4746 | |
| 251 | Q | A | -0.7862 | |
| 252 | V | A | 0.0000 | |
| 253 | V | A | 0.2386 | |
| 254 | P | A | -0.2692 | |
| 255 | L | A | 0.0779 | |
| 256 | V | A | 0.0000 | |
| 257 | Q | A | -0.3767 | |
| 258 | A | A | -0.0676 | |
| 259 | I | A | 0.2971 | |
| 260 | I | A | 0.0919 | |
| 261 | N | A | -0.4390 | |
| 262 | G | A | 0.3081 | |
| 263 | L | A | 0.0000 | |
| 264 | S | A | 0.6102 | |
| 265 | F | A | 1.5157 | |
| 266 | L | A | 0.7712 | |
| 267 | V | A | 0.8832 | |
| 268 | Q | A | -0.2808 | |
| 269 | G | A | 0.0000 | |
| 270 | P | A | -0.9293 | |
| 271 | K | A | -1.8908 | |
| 272 | A | A | -0.6483 | |
| 273 | P | A | -0.4803 | |
| 274 | H | A | 0.0000 | |
| 275 | W | A | -0.2708 | |
| 276 | T | A | -0.4069 | |
| 277 | Y | A | 0.0000 | |
| 278 | T | A | -0.1080 | |
| 279 | I | A | -0.2589 | |
| 280 | G | A | -0.5916 | |
| 281 | P | A | -0.9306 | |
| 282 | A | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | D | A | -1.9597 | |
| 285 | Y | A | -1.2318 | |
| 286 | L | A | 0.0000 | |
| 287 | V | A | -1.2567 | |
| 288 | R | A | -2.7271 | |
| 289 | T | A | -1.9856 | |
| 290 | G | A | 0.0000 | |
| 291 | N | A | -2.5976 | |
| 292 | E | A | -3.4931 | |
| 293 | L | A | -2.2924 | |
| 294 | R | A | -2.2340 | |
| 295 | K | A | -3.4498 | |
| 296 | N | A | -2.9106 | |
| 297 | A | A | -1.6201 | |
| 298 | G | A | -1.9659 | |
| 299 | A | A | -1.6170 | |
| 300 | G | A | -1.1500 | |
| 301 | A | A | -1.0801 | |
| 302 | G | A | -0.8211 | |
| 303 | A | A | -0.5543 | |
| 304 | G | A | -0.8520 | |
| 305 | G | A | -1.1366 | |
| 306 | S | A | -1.3771 | |
| 307 | T | A | -1.4582 | |
| 308 | E | A | -2.2219 | |
| 309 | R | A | -1.3049 | |
| 310 | V | A | 0.0122 | |
| 311 | L | A | 0.0000 | |
| 312 | P | A | -0.6212 | |
| 313 | Y | A | -1.0977 | |
| 314 | D | A | -2.1802 | |
| 315 | R | A | -2.7761 | |
| 316 | N | A | -2.2288 | |
| 317 | I | A | -1.3621 | |
| 318 | V | A | 0.0000 | |
| 319 | P | A | -1.0857 | |
| 320 | Q | A | -1.0281 | |
| 321 | E | A | -1.9548 | |
| 322 | T | A | -1.3187 | |
| 323 | G | A | -1.2372 | |
| 324 | W | A | -1.4554 | |
| 325 | W | A | -0.9526 | |
| 326 | C | A | -0.1083 | |
| 327 | G | A | 0.0000 | |
| 328 | P | A | 0.0000 | |
| 329 | A | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | Q | A | 0.0000 | |
| 333 | V | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | N | A | 0.0530 | |
| 337 | S | A | 0.0000 | |
| 338 | R | A | -0.1416 | |
| 339 | G | A | 0.0035 | |
| 340 | I | A | 1.1193 | |
| 341 | I | A | 2.0486 | |
| 342 | V | A | 0.0000 | |
| 343 | P | A | 0.1419 | |
| 344 | E | A | 0.0000 | |
| 345 | A | A | -0.7466 | |
| 346 | T | A | -0.6097 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | N | A | -2.3696 | |
| 350 | E | A | -1.6251 | |
| 351 | I | A | 0.0000 | |
| 352 | E | A | -3.1004 | |
| 353 | Q | A | -2.6929 | |
| 354 | I | A | -1.4037 | |
| 355 | E | A | -1.9979 | |
| 356 | N | A | -2.7091 | |
| 357 | P | A | -2.0505 | |
| 358 | G | A | -2.0987 | |
| 359 | R | A | -3.5107 | |
| 360 | G | A | -3.2087 | |
| 361 | D | A | -3.6758 | |
| 362 | D | A | -4.0744 | |
| 363 | R | A | -3.8769 | |
| 364 | D | A | -3.6766 | |
| 365 | G | A | -2.1738 | |
| 366 | T | A | -1.2743 | |
| 367 | D | A | -1.7912 | |
| 368 | Y | A | -0.1695 | |
| 369 | V | A | 0.0000 | |
| 370 | G | A | -0.2130 | |
| 371 | L | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | E | A | -1.4243 | |
| 374 | Q | A | -1.8961 | |
| 375 | V | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | D | A | -2.9586 | |
| 378 | R | A | -3.1364 | |
| 379 | R | A | -2.0410 | |
| 380 | V | A | 0.0000 | |
| 381 | P | A | -2.6534 | |
| 382 | E | A | -2.8394 | |
| 383 | A | A | 0.0000 | |
| 384 | K | A | -2.8550 | |
| 385 | Y | A | 0.0000 | |
| 386 | T | A | -0.6694 | |
| 387 | S | A | 0.3166 | |
| 388 | V | A | 0.8238 | |
| 389 | Y | A | 0.9816 | |
| 390 | M | A | 0.0000 | |
| 391 | P | A | -1.0167 | |
| 392 | N | A | -1.9510 | |
| 393 | D | A | -2.5325 | |
| 394 | P | A | -1.7402 | |
| 395 | P | A | 0.0000 | |
| 396 | T | A | -0.9439 | |
| 397 | A | A | -0.5194 | |
| 398 | A | A | -0.5887 | |
| 399 | Q | A | -0.8782 | |
| 400 | R | A | -1.6666 | |
| 401 | E | A | -1.7567 | |
| 402 | A | A | -1.0838 | |
| 403 | L | A | 0.0000 | |
| 404 | W | A | 0.0000 | |
| 405 | Q | A | -1.5853 | |
| 406 | N | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | V | A | -0.7109 | |
| 409 | R | A | -1.0260 | |
| 410 | S | A | 0.0000 | |
| 411 | I | A | 0.0000 | |
| 412 | N | A | -0.7768 | |
| 413 | A | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | W | A | 0.0000 | |
| 416 | G | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | I | A | 0.0000 | |
| 419 | M | A | 0.0000 | |
| 420 | N | A | 0.0000 | |
| 421 | W | A | 0.0000 | |
| 422 | V | A | 0.4836 | |
| 423 | A | A | 0.0000 | |
| 424 | P | A | -0.3675 | |
| 425 | P | A | -0.7756 | |
| 426 | S | A | -0.5496 | |
| 427 | N | A | -0.7399 | |
| 428 | K | A | 0.0000 | |
| 429 | P | A | 0.0000 | |
| 430 | R | A | -2.5131 | |
| 431 | G | A | -1.8232 | |
| 432 | V | A | -1.1770 | |
| 433 | K | A | -1.7398 | |
| 434 | G | A | -1.4216 | |
| 435 | S | A | -1.3550 | |
| 436 | P | A | -2.0410 | |
| 437 | N | A | -2.6236 | |
| 438 | P | A | 0.0000 | |
| 439 | K | A | -2.4519 | |
| 440 | Y | A | 0.0000 | |
| 441 | S | A | -1.0037 | |
| 442 | G | A | -0.8751 | |
| 443 | G | A | -0.7494 | |
| 444 | T | A | -0.2316 | |
| 445 | T | A | 0.3616 | |
| 446 | Y | A | 1.0662 | |
| 447 | H | A | 0.0000 | |
| 448 | Y | A | 0.0000 | |
| 449 | V | A | 0.0000 | |
| 450 | A | A | 0.0000 | |
| 451 | C | A | 0.0000 | |
| 452 | M | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | Y | A | 0.0000 | |
| 455 | D | A | 0.0000 | |
| 456 | D | A | -1.3974 | |
| 457 | T | A | -1.2211 | |
| 458 | P | A | -0.9565 | |
| 459 | G | A | -0.9959 | |
| 460 | A | A | -1.0567 | |
| 461 | R | A | -1.5471 | |
| 462 | A | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | W | A | 0.0684 | |
| 465 | I | A | 0.0000 | |
| 466 | A | A | 0.0000 | |
| 467 | D | A | 0.0000 | |
| 468 | S | A | 0.0000 | |
| 469 | G | A | -0.6277 | |
| 470 | F | A | -0.8061 | |
| 471 | Q | A | -1.3583 | |
| 472 | P | A | -0.9919 | |
| 473 | F | A | -0.6026 | |
| 474 | N | A | -0.4212 | |
| 475 | Y | A | 0.0000 | |
| 476 | W | A | 0.0000 | |
| 477 | I | A | 0.0000 | |
| 478 | S | A | -1.2624 | |
| 479 | F | A | 0.0000 | |
| 480 | D | A | -2.1571 | |
| 481 | Q | A | -1.4068 | |
| 482 | A | A | 0.0000 | |
| 483 | A | A | 0.0000 | |
| 484 | T | A | -1.1642 | |
| 485 | L | A | 0.0000 | |
| 486 | I | A | 0.0000 | |
| 487 | P | A | 0.0000 | |
| 488 | P | A | -1.0322 | |
| 489 | K | A | -0.3645 | |
| 490 | G | A | 0.0000 | |
| 491 | Y | A | 0.0000 | |
| 492 | A | A | 0.0000 | |
| 493 | Y | A | 0.0000 | |
| 494 | A | A | 0.0000 | |
| 495 | A | A | -0.9132 | |
| 496 | T | A | -1.1090 | |
| 497 | T | A | -0.6467 | |
| 498 | A | A | -0.4494 | |
| 499 | T | A | -0.3073 | |
| 500 | A | A | -0.5096 | |
| 501 | P | A | -0.2880 | |
| 502 | A | A | -0.1992 | |
| 503 | P | A | -0.3545 | |
| 504 | A | A | -0.3180 | |
| 505 | P | A | -0.2353 | |
| 506 | A | A | -0.3025 | |
| 507 | P | A | -0.9088 | |
| 508 | V | A | -0.7706 | |
| 509 | D | A | -1.5326 | |
| 510 | A | A | 0.0000 | |
| 511 | A | A | 0.0000 | |
| 512 | P | A | -1.0439 | |
| 513 | I | A | -1.0530 | |
| 514 | L | A | 0.0000 | |
| 515 | A | A | 0.0000 | |
| 516 | R | A | -2.1887 | |
| 517 | A | A | 0.0000 | |
| 518 | A | A | 0.0000 | |
| 519 | G | A | -1.6165 | |
| 520 | I | A | -0.9179 | |
| 521 | S | A | -1.2922 | |
| 522 | E | A | -1.6368 | |
| 523 | A | A | -1.5481 | |
| 524 | K | A | -1.9250 | |
| 525 | A | A | 0.0000 | |
| 526 | R | A | -2.9432 | |
| 527 | E | A | -2.7672 | |
| 528 | I | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | P | A | -1.6147 | |
| 531 | T | A | 0.0000 | |
| 532 | F | A | 0.0000 | |
| 533 | R | A | 0.0000 | |
| 534 | D | A | -1.8327 | |
| 535 | G | A | 0.0000 | |
| 536 | L | A | 0.0000 | |
| 537 | R | A | -2.2669 | |
| 538 | L | A | -1.2275 | |
| 539 | A | A | 0.0000 | |
| 540 | E | A | -2.7435 | |
| 541 | C | A | 0.0000 | |
| 542 | N | A | -2.1456 | |
| 543 | N | A | -1.4808 | |
| 544 | V | A | -0.7707 | |
| 545 | P | A | -1.4487 | |
| 546 | R | A | -1.8471 | |
| 547 | I | A | 0.0000 | |
| 548 | A | A | 0.0000 | |
| 549 | M | A | 0.0000 | |
| 550 | F | A | 0.0000 | |
| 551 | I | A | 0.0000 | |
| 552 | A | A | 0.0000 | |
| 553 | Q | A | 0.0000 | |
| 554 | T | A | 0.0000 | |
| 555 | G | A | 0.0000 | |
| 556 | H | A | -1.0615 | |
| 557 | E | A | -1.2206 | |
| 558 | S | A | 0.0000 | |
| 559 | D | A | -2.1217 | |
| 560 | N | A | -1.6838 | |
| 561 | F | A | 0.0000 | |
| 562 | N | A | -1.8955 | |
| 563 | A | A | 0.0000 | |
| 564 | T | A | -0.8401 | |
| 565 | Q | A | -0.8503 | |
| 566 | E | A | -0.2664 | |
| 567 | Y | A | 0.6460 | |
| 568 | D | A | -0.6824 | |
| 569 | H | A | -1.6290 | |
| 570 | G | A | 0.0000 | |
| 571 | R | A | -2.9238 | |
| 572 | N | A | -1.9883 | |
| 573 | Y | A | -0.3967 | |
| 574 | G | A | -1.2021 | |
| 575 | D | A | -1.7506 | |
| 576 | P | A | -2.1734 | |
| 577 | N | A | -2.1544 | |
| 578 | E | A | -1.7447 | |
| 579 | A | A | -1.0053 | |
| 580 | T | A | -0.9607 | |
| 581 | D | A | -1.0984 | |
| 582 | R | A | -1.0141 | |
| 583 | W | A | 0.0000 | |
| 584 | K | A | -1.7246 | |
| 585 | Y | A | 0.0000 | |
| 586 | K | A | 0.0000 | |
| 587 | G | A | 0.0000 | |
| 588 | R | A | 0.0000 | |
| 589 | T | A | 0.0000 | |
| 590 | W | A | 0.0000 | |
| 591 | I | A | 0.0000 | |
| 592 | Q | A | -0.4374 | |
| 593 | I | A | 0.0000 | |
| 594 | T | A | -0.3689 | |
| 595 | W | A | -0.3462 | |
| 596 | R | A | -1.8553 | |
| 597 | G | A | -1.6474 | |
| 598 | N | A | -1.7419 | |
| 599 | Y | A | 0.0000 | |
| 600 | E | A | -2.9251 | |
| 601 | R | A | -3.1202 | |
| 602 | F | A | 0.0000 | |
| 603 | S | A | 0.0000 | |
| 604 | R | A | -3.1945 | |
| 605 | W | A | 0.0000 | |
| 606 | C | A | 0.0000 | |
| 607 | F | A | -1.6561 | |
| 608 | D | A | -2.8315 | |
| 609 | R | A | -2.5648 | |
| 610 | K | A | -2.3967 | |
| 611 | L | A | -0.7787 | |
| 612 | V | A | 0.0000 | |
| 613 | P | A | -0.5936 | |
| 614 | T | A | -0.7197 | |
| 615 | P | A | -1.6803 | |
| 616 | T | A | -1.3191 | |
| 617 | Y | A | -0.8091 | |
| 618 | F | A | 0.0000 | |
| 619 | V | A | -1.8279 | |
| 620 | D | A | -2.1949 | |
| 621 | N | A | -1.8383 | |
| 622 | P | A | 0.0000 | |
| 623 | R | A | -2.4600 | |
| 624 | A | A | -1.4679 | |
| 625 | L | A | 0.0000 | |
| 626 | A | A | -1.1400 | |
| 627 | D | A | -1.2325 | |
| 628 | V | A | -0.9425 | |
| 629 | R | A | -1.8406 | |
| 630 | W | A | -0.7836 | |
| 631 | A | A | 0.0000 | |
| 632 | G | A | 0.0000 | |
| 633 | I | A | 0.0000 | |
| 634 | G | A | 0.0000 | |
| 635 | A | A | 0.0000 | |
| 636 | A | A | 0.0000 | |
| 637 | W | A | 0.0000 | |
| 638 | Y | A | 0.0973 | |
| 639 | W | A | 0.0000 | |
| 640 | T | A | -0.0880 | |
| 641 | V | A | 0.4553 | |
| 642 | E | A | -0.2820 | |
| 643 | R | A | -0.4359 | |
| 644 | P | A | -0.5730 | |
| 645 | S | A | -0.8439 | |
| 646 | I | A | 0.0000 | |
| 647 | N | A | 0.0000 | |
| 648 | R | A | -2.9216 | |
| 649 | L | A | 0.0000 | |
| 650 | C | A | 0.0000 | |
| 651 | D | A | -3.0802 | |
| 652 | E | A | -3.7237 | |
| 653 | R | A | -3.5563 | |
| 654 | N | A | -2.4794 | |
| 655 | L | A | 0.0000 | |
| 656 | T | A | -1.0623 | |
| 657 | E | A | -1.4767 | |
| 658 | V | A | 0.0000 | |
| 659 | T | A | 0.0000 | |
| 660 | R | A | -2.1789 | |
| 661 | L | A | -1.2767 | |
| 662 | I | A | -1.1620 | |
| 663 | N | A | -1.8575 | |
| 664 | G | A | -1.7301 | |
| 665 | G | A | -1.1428 | |
| 666 | T | A | -0.6608 | |
| 667 | S | A | -0.5373 | |
| 668 | W | A | -0.1503 | |
| 669 | E | A | -1.3624 | |
| 670 | A | A | -0.7891 | |
| 671 | P | A | -0.9989 | |
| 672 | T | A | -1.1317 | |
| 673 | W | A | -0.8882 | |
| 674 | M | A | -1.7124 | |
| 675 | K | A | -2.9826 | |
| 676 | H | A | -2.9052 | |
| 677 | R | A | 0.0000 | |
| 678 | K | A | -3.7578 | |
| 679 | E | A | -4.3007 | |
| 680 | R | A | -3.1905 | |
| 681 | Y | A | 0.0000 | |
| 682 | D | A | -3.4741 | |
| 683 | R | A | -3.4683 | |
| 684 | A | A | 0.0000 | |
| 685 | L | A | -1.2158 | |
| 686 | A | A | -1.2433 | |
| 687 | V | A | -1.1537 | |
| 688 | G | A | -1.0382 | |
| 689 | N | A | -1.9251 | |
| 690 | D | A | -1.9659 | |
| 691 | L | A | 0.0000 | |
| 692 | L | A | -1.3518 | |
| 693 | K | A | -1.9138 | |
| 694 | L | A | 0.0000 | |
| 695 | L | A | -1.8916 | |
| 696 | D | A | -2.6681 | |
| 697 | G | A | -3.2099 | |
| 698 | E | A | -3.8558 | |
| 699 | E | A | -3.7877 | |
| 700 | E | A | -2.9151 | |
| 701 | G | A | -1.1011 | |
| 702 | F | A | 1.2079 | |
| 703 | L | A | 0.3367 | |
| 704 | S | A | -0.8823 | |
| 705 | A | A | -0.2195 | |
| 706 | L | A | -0.6599 | |
| 707 | T | A | -1.4346 | |
| 708 | P | A | -2.0814 | |
| 709 | K | A | -3.2920 | |
| 710 | E | A | -3.0528 | |
| 711 | Q | A | -2.5220 | |
| 712 | R | A | -4.0729 | |
| 713 | E | A | -4.1605 | |
| 714 | L | A | -2.4448 | |
| 715 | Y | A | -1.9431 | |
| 716 | D | A | -3.7311 | |
| 717 | E | A | -3.3465 | |
| 718 | I | A | -0.9930 | |
| 719 | M | A | -1.0513 | |
| 720 | K | A | -2.8424 | |
| 721 | R | A | -2.9067 | |
| 722 | G | A | -2.0085 | |
| 723 | P | A | -1.9652 | |
| 724 | S | A | -1.3910 | |
| 725 | R | A | -1.4187 | |
| 726 | S | A | 0.1064 | |
| 727 | F | A | 1.8036 | |
| 728 | L | A | 1.6018 | |
| 729 | A | A | -0.5190 | |
| 730 | D | A | -1.8631 | |
| 731 | D | A | -2.4848 | |
| 732 | G | A | -2.4434 | |
| 733 | R | A | -2.9145 | |
| 734 | Q | A | -2.4423 | |
| 735 | I | A | -0.1250 | |
| 736 | E | A | -0.4968 | |
| 737 | T | A | -0.1230 | |
| 738 | L | A | 1.1917 | |
| 739 | L | A | 1.9584 | |
| 740 | G | A | 1.7600 | |
| 741 | F | A | 1.8485 | |
| 742 | I | A | 2.4673 | |
| 743 | Y | A | 1.8640 | |
| 744 | N | A | 0.6791 | |
| 745 | I | A | 1.4408 | |
| 746 | D | A | -0.5215 | |
| 747 | G | A | -0.1987 | |
| 748 | N | A | -0.3572 | |
| 749 | A | A | 0.6514 | |
| 750 | W | A | 1.2171 | |
| 751 | N | A | 0.4850 | |
| 752 | I | A | 2.5398 | |
| 753 | V | A | 2.8893 | |
| 754 | N | A | 1.0538 | |
| 755 | I | A | 2.0790 | |
| 756 | L | A | 2.5058 | |
| 757 | G | A | 0.0000 | |
| 758 | C | A | 0.0000 | |
| 759 | L | A | 1.4129 | |
| 760 | I | A | 1.7663 | |
| 761 | G | A | 0.2347 | |
| 762 | V | A | 0.1574 | |
| 763 | P | A | -1.3107 | |
| 764 | E | A | -2.8184 | |
| 765 | C | A | -1.3837 | |
| 766 | V | A | -1.5613 | |
| 767 | D | A | -3.4282 | |
| 768 | D | A | -3.0794 | |
| 769 | I | A | 0.0000 | |
| 770 | R | A | -3.5978 | |
| 771 | D | A | -3.1395 | |
| 772 | V | A | -2.5460 | |
| 773 | A | A | 0.0000 | |
| 774 | E | A | -3.2479 | |
| 775 | N | A | -2.9057 | |
| 776 | G | A | -2.4265 | |
| 777 | V | A | -1.9016 | |
| 778 | R | A | -3.0373 | |
| 779 | K | A | -2.9736 | |
| 780 | G | A | -1.6861 | |
| 781 | S | A | -1.0499 | |
| 782 | Y | A | 0.3305 | |
| 783 | A | A | -0.3569 | |
| 784 | E | A | -1.5467 | |
| 785 | S | A | -0.5404 | |
| 786 | N | A | -0.2212 | |
| 787 | P | A | -0.1373 | |
| 788 | W | A | 0.9397 | |
| 789 | L | A | 0.6752 | |
| 790 | A | A | -0.2172 | |
| 791 | Q | A | -0.4517 | |
| 792 | F | A | 0.8588 | |
| 793 | G | A | 0.0867 | |
| 794 | Q | A | -1.6327 | |
| 795 | E | A | -1.6640 | |
| 796 | F | A | -0.6494 | |
| 797 | C | A | 0.0000 | |
| 798 | K | A | -2.8097 | |
| 799 | R | A | -2.3854 | |
| 800 | L | A | 0.0000 | |
| 801 | L | A | -1.0336 | |
| 802 | P | A | -0.6473 | |
| 803 | L | A | 0.4131 | |
| 804 | A | A | 0.2599 | |
| 805 | G | A | 0.2901 | |
| 806 | K | A | -0.5022 | |
| 807 | L | A | 0.7526 | |
| 808 | S | A | -0.0640 | |
| 809 | E | A | -1.3417 | |
| 810 | L | A | 0.5303 | |
| 811 | L | A | 0.1862 | |
| 812 | N | A | -1.4012 | |
| 813 | A | A | -0.6566 | |
| 814 | Q | A | -1.3273 | |
| 815 | E | A | -1.6538 | |
| 816 | F | A | -0.2202 | |
| 817 | K | A | -1.6734 | |
| 818 | V | A | -1.2692 | |
| 819 | T | A | -1.2253 | |
| 820 | H | A | -1.6098 | |
| 821 | N | A | -2.5197 | |
| 822 | R | A | -2.7208 | |
| 823 | I | A | -0.9754 | |
| 824 | I | A | -1.1023 | |
| 825 | E | A | -2.8422 | |
| 826 | Q | A | -2.3372 | |
| 827 | G | A | -1.4811 | |
| 828 | S | A | -1.0681 | |
| 829 | Y | A | -1.0313 | |
| 830 | G | A | -2.0834 | |
| 831 | R | A | -4.0241 | |
| 832 | K | A | -4.6246 | |
| 833 | K | A | -5.1821 | |
| 834 | R | A | -5.6630 | |
| 835 | R | A | -5.9105 | |
| 836 | Q | A | -5.2911 | |
| 837 | R | A | -5.2866 | |
| 838 | R | A | -4.9565 | |
| 839 | R | A | -3.8135 |
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 | -0.4036 | 4.8684 | View | CSV | PDB |
| 4.5 | -0.475 | 4.8108 | View | CSV | PDB |
| 5.0 | -0.5632 | 4.7869 | View | CSV | PDB |
| 5.5 | -0.6539 | 4.7625 | View | CSV | PDB |
| 6.0 | -0.7328 | 4.7415 | View | CSV | PDB |
| 6.5 | -0.7884 | 4.7272 | View | CSV | PDB |
| 7.0 | -0.8178 | 4.7201 | View | CSV | PDB |
| 7.5 | -0.8277 | 4.7174 | View | CSV | PDB |
| 8.0 | -0.8258 | 4.7164 | View | CSV | PDB |
| 8.5 | -0.8148 | 4.7656 | View | CSV | PDB |
| 9.0 | -0.794 | 5.1869 | 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