| Chain sequence(s) |
A: AKFVAAWTLKAAAEAAAKHMREVEADFAAYAQVETAIAVAAYSAEVEALEALAAYVYYADVEGFAAYDVIGFPALAAAYLTAREIAPKAAYLLVGTTLEVAAYVEGTVQFAWAAYVVYEHFGGKAAYRVRVERVALAAAYTSIEEIAQRAAYRLKDEIVAAAAYSPGCVRFVTLAAYAFLYGIAAHKAAYYPAETLPERWAAYAVLWRYALRAAYVLWRYALRLAAYEARRVVAARGSGATNFSLLKQAGDVEENPGPVYRLAYRLSGNQHDAEDLGPGPGRRHHRQLHRLARLTSRTSGPGPGEDLKLLGVHIFGTGPGPGGIGLAIAQRLAADGHKVGPGPGGIGNQANYAASKAGVIGGPGPGAVVAEAVAGDRNALREVGPGPGVVENLNADADVAGTQTGPGPGRRSARFRNVVGSTDQSGTGPGPGGNRHRLVLDDVLAYREARGSGATNFSLLKQAGDVEENPGPMDAMKRGLCCVLLLCGAVFVSPSGGSGGRVERVALALLTYVEERTDGFRIMIRDSPASISSGTYSSLLNDAVSQVSSILAGDFARRGLDPDLAPLYAQALVGSVSMTAQWWLDAREPKKEVVAAHLVNLVWNGSGHHHHHH
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:17)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6619b14beb4561d/tmp/folded.pdb (00:07:17)
[INFO] Main: Simulation completed successfully. (00:09:51)
|
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 | A | A | 0.2108 | |
| 2 | K | A | -0.2153 | |
| 3 | F | A | 2.1673 | |
| 4 | V | A | 2.0331 | |
| 5 | A | A | 1.1671 | |
| 6 | A | A | 1.2756 | |
| 7 | W | A | 1.7849 | |
| 8 | T | A | 1.1818 | |
| 9 | L | A | 1.2549 | |
| 10 | K | A | -0.8425 | |
| 11 | A | A | -0.5550 | |
| 12 | A | A | -0.4445 | |
| 13 | A | A | -1.1452 | |
| 14 | E | A | -2.4662 | |
| 15 | A | A | -1.5757 | |
| 16 | A | A | -1.7540 | |
| 17 | A | A | -2.0948 | |
| 18 | K | A | -3.5779 | |
| 19 | H | A | -3.0515 | |
| 20 | M | A | -2.3525 | |
| 21 | R | A | -3.6945 | |
| 22 | E | A | -3.6061 | |
| 23 | V | A | -2.0134 | |
| 24 | E | A | -2.4556 | |
| 25 | A | A | -1.5133 | |
| 26 | D | A | -0.9841 | |
| 27 | F | A | 0.7411 | |
| 28 | A | A | -0.0104 | |
| 29 | A | A | 0.1180 | |
| 30 | Y | A | 0.5234 | |
| 31 | A | A | -0.1025 | |
| 32 | Q | A | -0.9624 | |
| 33 | V | A | 0.0169 | |
| 34 | E | A | -1.2338 | |
| 35 | T | A | -0.3599 | |
| 36 | A | A | 0.5730 | |
| 37 | I | A | 0.9340 | |
| 38 | A | A | 0.9846 | |
| 39 | V | A | 2.0871 | |
| 40 | A | A | 1.2100 | |
| 41 | A | A | 1.4992 | |
| 42 | Y | A | 1.8005 | |
| 43 | S | A | 0.7899 | |
| 44 | A | A | 0.1811 | |
| 45 | E | A | -0.9260 | |
| 46 | V | A | -0.0529 | |
| 47 | E | A | -1.8400 | |
| 48 | A | A | -0.7144 | |
| 49 | L | A | -0.3093 | |
| 50 | E | A | -1.6744 | |
| 51 | A | A | -0.2171 | |
| 52 | L | A | 0.5786 | |
| 53 | A | A | 0.7917 | |
| 54 | A | A | 1.3237 | |
| 55 | Y | A | 2.4064 | |
| 56 | V | A | 2.4717 | |
| 57 | Y | A | 2.5950 | |
| 58 | Y | A | 2.2551 | |
| 59 | A | A | 0.8889 | |
| 60 | D | A | -0.8376 | |
| 61 | V | A | 0.9631 | |
| 62 | E | A | -0.9443 | |
| 63 | G | A | -0.1332 | |
| 64 | F | A | 1.9478 | |
| 65 | A | A | 1.3913 | |
| 66 | A | A | 1.9057 | |
| 67 | Y | A | 2.0059 | |
| 68 | D | A | 0.5667 | |
| 69 | V | A | 2.5379 | |
| 70 | I | A | 3.0405 | |
| 71 | G | A | 2.1575 | |
| 72 | F | A | 2.9859 | |
| 73 | P | A | 1.7886 | |
| 74 | A | A | 2.0399 | |
| 75 | L | A | 2.7011 | |
| 76 | A | A | 1.8813 | |
| 77 | A | A | 1.5038 | |
| 78 | A | A | 1.6984 | |
| 79 | Y | A | 1.9946 | |
| 80 | L | A | 1.0977 | |
| 81 | T | A | -0.1340 | |
| 82 | A | A | -0.4869 | |
| 83 | R | A | -2.1566 | |
| 84 | E | A | -1.6646 | |
| 85 | I | A | -0.6765 | |
| 86 | A | A | -0.7538 | |
| 87 | P | A | -0.4046 | |
| 88 | K | A | -0.4414 | |
| 89 | A | A | 0.8181 | |
| 90 | A | A | 1.4362 | |
| 91 | Y | A | 2.2446 | |
| 92 | L | A | 2.7281 | |
| 93 | L | A | 2.5880 | |
| 94 | V | A | 1.9438 | |
| 95 | G | A | 1.3699 | |
| 96 | T | A | 1.0617 | |
| 97 | T | A | 1.1265 | |
| 98 | L | A | 0.9893 | |
| 99 | E | A | -0.0813 | |
| 100 | V | A | 1.7786 | |
| 101 | A | A | 1.3118 | |
| 102 | A | A | 1.0411 | |
| 103 | Y | A | 1.8135 | |
| 104 | V | A | 1.5125 | |
| 105 | E | A | -0.6905 | |
| 106 | G | A | 0.2660 | |
| 107 | T | A | 1.0504 | |
| 108 | V | A | 2.2280 | |
| 109 | Q | A | 1.8666 | |
| 110 | F | A | 2.7442 | |
| 111 | A | A | 2.1309 | |
| 112 | W | A | 2.3389 | |
| 113 | A | A | 2.0161 | |
| 114 | A | A | 1.3993 | |
| 115 | Y | A | 1.9786 | |
| 116 | V | A | 1.1869 | |
| 117 | V | A | 1.2022 | |
| 118 | Y | A | 0.9463 | |
| 119 | E | A | -0.7852 | |
| 120 | H | A | -0.3849 | |
| 121 | F | A | 0.8713 | |
| 122 | G | A | -0.5433 | |
| 123 | G | A | -1.0838 | |
| 124 | K | A | -1.4123 | |
| 125 | A | A | -1.1218 | |
| 126 | A | A | -0.6806 | |
| 127 | Y | A | -0.3937 | |
| 128 | R | A | -1.5557 | |
| 129 | V | A | -1.1071 | |
| 130 | R | A | -1.9519 | |
| 131 | V | A | -0.9046 | |
| 132 | E | A | -1.7125 | |
| 133 | R | A | -1.9061 | |
| 134 | V | A | 0.1268 | |
| 135 | A | A | 0.4063 | |
| 136 | L | A | 0.4923 | |
| 137 | A | A | 0.7141 | |
| 138 | A | A | 1.0199 | |
| 139 | A | A | 1.1969 | |
| 140 | Y | A | 1.7564 | |
| 141 | T | A | 0.9665 | |
| 142 | S | A | 0.5515 | |
| 143 | I | A | 1.3260 | |
| 144 | E | A | -1.2132 | |
| 145 | E | A | -1.0497 | |
| 146 | I | A | 0.3612 | |
| 147 | A | A | -0.2622 | |
| 148 | Q | A | -1.1525 | |
| 149 | R | A | -1.7702 | |
| 150 | A | A | -1.0395 | |
| 151 | A | A | -1.0893 | |
| 152 | Y | A | -1.0655 | |
| 153 | R | A | -2.6881 | |
| 154 | L | A | -1.7137 | |
| 155 | K | A | -2.2364 | |
| 156 | D | A | -2.7247 | |
| 157 | E | A | -2.4492 | |
| 158 | I | A | -0.5049 | |
| 159 | V | A | 0.5208 | |
| 160 | A | A | 0.0121 | |
| 161 | A | A | 0.5609 | |
| 162 | A | A | 0.8004 | |
| 163 | A | A | 1.2343 | |
| 164 | Y | A | 1.4956 | |
| 165 | S | A | 0.2037 | |
| 166 | P | A | -0.2275 | |
| 167 | G | A | -0.3199 | |
| 168 | C | A | 0.6779 | |
| 169 | V | A | 0.7491 | |
| 170 | R | A | -0.3678 | |
| 171 | F | A | 1.7868 | |
| 172 | V | A | 1.3344 | |
| 173 | T | A | 1.4157 | |
| 174 | L | A | 2.3481 | |
| 175 | A | A | 2.0054 | |
| 176 | A | A | 1.8731 | |
| 177 | Y | A | 2.3261 | |
| 178 | A | A | 2.1929 | |
| 179 | F | A | 2.9637 | |
| 180 | L | A | 2.4231 | |
| 181 | Y | A | 2.0746 | |
| 182 | G | A | 1.1391 | |
| 183 | I | A | 1.0782 | |
| 184 | A | A | 1.0747 | |
| 185 | A | A | 0.2034 | |
| 186 | H | A | -0.5130 | |
| 187 | K | A | -0.9145 | |
| 188 | A | A | -0.1692 | |
| 189 | A | A | 0.2865 | |
| 190 | Y | A | 1.0365 | |
| 191 | Y | A | 0.5339 | |
| 192 | P | A | -0.2516 | |
| 193 | A | A | 0.0000 | |
| 194 | E | A | -1.8858 | |
| 195 | T | A | -0.7617 | |
| 196 | L | A | 0.4784 | |
| 197 | P | A | -0.1101 | |
| 198 | E | A | -0.8845 | |
| 199 | R | A | -0.6543 | |
| 200 | W | A | 1.2673 | |
| 201 | A | A | 1.0260 | |
| 202 | A | A | 1.0625 | |
| 203 | Y | A | 2.1160 | |
| 204 | A | A | 1.8038 | |
| 205 | V | A | 2.6411 | |
| 206 | L | A | 2.1020 | |
| 207 | W | A | 1.7325 | |
| 208 | R | A | 0.1266 | |
| 209 | Y | A | 1.1687 | |
| 210 | A | A | 0.8962 | |
| 211 | L | A | 0.3517 | |
| 212 | R | A | -0.3449 | |
| 213 | A | A | 0.7176 | |
| 214 | A | A | 1.1423 | |
| 215 | Y | A | 1.9219 | |
| 216 | V | A | 2.3659 | |
| 217 | L | A | 1.9137 | |
| 218 | W | A | 1.8745 | |
| 219 | R | A | 0.6141 | |
| 220 | Y | A | 1.0216 | |
| 221 | A | A | 1.0530 | |
| 222 | L | A | 0.5762 | |
| 223 | R | A | -0.9256 | |
| 224 | L | A | -0.1549 | |
| 225 | A | A | -0.6679 | |
| 226 | A | A | -0.7064 | |
| 227 | Y | A | -0.6119 | |
| 228 | E | A | -1.8073 | |
| 229 | A | A | -0.9567 | |
| 230 | R | A | -1.8101 | |
| 231 | R | A | -1.9400 | |
| 232 | V | A | 0.3677 | |
| 233 | V | A | 0.5204 | |
| 234 | A | A | -0.6505 | |
| 235 | A | A | -0.5298 | |
| 236 | R | A | -1.2065 | |
| 237 | G | A | -0.8322 | |
| 238 | S | A | -0.8342 | |
| 239 | G | A | -0.5654 | |
| 240 | A | A | -0.3086 | |
| 241 | T | A | 0.3791 | |
| 242 | N | A | 0.4253 | |
| 243 | F | A | 1.4077 | |
| 244 | S | A | 0.5893 | |
| 245 | L | A | 0.9354 | |
| 246 | L | A | 0.3372 | |
| 247 | K | A | -1.3220 | |
| 248 | Q | A | -1.2916 | |
| 249 | A | A | -0.9991 | |
| 250 | G | A | -1.7000 | |
| 251 | D | A | -2.1576 | |
| 252 | V | A | -1.4743 | |
| 253 | E | A | -2.8917 | |
| 254 | E | A | -3.1710 | |
| 255 | N | A | -2.6838 | |
| 256 | P | A | -1.5873 | |
| 257 | G | A | -0.5378 | |
| 258 | P | A | 0.0908 | |
| 259 | V | A | 1.8022 | |
| 260 | Y | A | 0.6041 | |
| 261 | R | A | -0.3666 | |
| 262 | L | A | 1.4284 | |
| 263 | A | A | 1.2144 | |
| 264 | Y | A | 0.6540 | |
| 265 | R | A | -0.7212 | |
| 266 | L | A | 0.8115 | |
| 267 | S | A | -0.1381 | |
| 268 | G | A | -1.3153 | |
| 269 | N | A | -2.6264 | |
| 270 | Q | A | -2.6891 | |
| 271 | H | A | -3.3376 | |
| 272 | D | A | -3.4802 | |
| 273 | A | A | -2.5027 | |
| 274 | E | A | -3.0076 | |
| 275 | D | A | -2.5672 | |
| 276 | L | A | -0.3693 | |
| 277 | G | A | -0.6268 | |
| 278 | P | A | -0.5578 | |
| 279 | G | A | -0.6945 | |
| 280 | P | A | -1.3135 | |
| 281 | G | A | -2.1772 | |
| 282 | R | A | -3.7320 | |
| 283 | R | A | -4.1895 | |
| 284 | H | A | -3.5468 | |
| 285 | H | A | -3.6463 | |
| 286 | R | A | -3.9366 | |
| 287 | Q | A | -2.6112 | |
| 288 | L | A | -1.2849 | |
| 289 | H | A | -2.4084 | |
| 290 | R | A | -2.4385 | |
| 291 | L | A | -0.1574 | |
| 292 | A | A | -0.7907 | |
| 293 | R | A | -1.8492 | |
| 294 | L | A | -0.0757 | |
| 295 | T | A | -0.5137 | |
| 296 | S | A | -1.1977 | |
| 297 | R | A | -2.0793 | |
| 298 | T | A | -1.0154 | |
| 299 | S | A | -1.1344 | |
| 300 | G | A | -1.1365 | |
| 301 | P | A | -0.8692 | |
| 302 | G | A | -0.9369 | |
| 303 | P | A | -1.1592 | |
| 304 | G | A | -1.8739 | |
| 305 | E | A | -2.7904 | |
| 306 | D | A | -2.3144 | |
| 307 | L | A | -0.0502 | |
| 308 | K | A | -0.5441 | |
| 309 | L | A | 1.7398 | |
| 310 | L | A | 2.1880 | |
| 311 | G | A | 1.3659 | |
| 312 | V | A | 2.3728 | |
| 313 | H | A | 1.3128 | |
| 314 | I | A | 2.7608 | |
| 315 | F | A | 2.6295 | |
| 316 | G | A | 0.7308 | |
| 317 | T | A | 0.0464 | |
| 318 | G | A | -0.8207 | |
| 319 | P | A | -0.9310 | |
| 320 | G | A | -0.9685 | |
| 321 | P | A | -0.8644 | |
| 322 | G | A | -0.7558 | |
| 323 | G | A | 0.0609 | |
| 324 | I | A | 1.9475 | |
| 325 | G | A | 1.6278 | |
| 326 | L | A | 1.8165 | |
| 327 | A | A | 0.9810 | |
| 328 | I | A | 1.7014 | |
| 329 | A | A | 0.9210 | |
| 330 | Q | A | -1.1493 | |
| 331 | R | A | -1.8824 | |
| 332 | L | A | -1.1471 | |
| 333 | A | A | -1.2427 | |
| 334 | A | A | -1.6737 | |
| 335 | D | A | -2.8666 | |
| 336 | G | A | -1.9023 | |
| 337 | H | A | -2.0058 | |
| 338 | K | A | -1.1892 | |
| 339 | V | A | 0.8407 | |
| 340 | G | A | -0.0671 | |
| 341 | P | A | -0.3157 | |
| 342 | G | A | -0.6203 | |
| 343 | P | A | -0.8637 | |
| 344 | G | A | -0.5830 | |
| 345 | G | A | -0.2722 | |
| 346 | I | A | 0.9126 | |
| 347 | G | A | -0.5418 | |
| 348 | N | A | -1.7130 | |
| 349 | Q | A | -1.3874 | |
| 350 | A | A | -0.6430 | |
| 351 | N | A | -1.0010 | |
| 352 | Y | A | -0.4860 | |
| 353 | A | A | -0.7947 | |
| 354 | A | A | -0.1751 | |
| 355 | S | A | -0.1922 | |
| 356 | K | A | -1.2837 | |
| 357 | A | A | -0.2706 | |
| 358 | G | A | 0.1143 | |
| 359 | V | A | 1.3474 | |
| 360 | I | A | 1.7132 | |
| 361 | G | A | 0.2312 | |
| 362 | G | A | -0.5370 | |
| 363 | P | A | -0.6913 | |
| 364 | G | A | -1.0357 | |
| 365 | P | A | -0.5339 | |
| 366 | G | A | -0.1662 | |
| 367 | A | A | 0.9949 | |
| 368 | V | A | 2.3145 | |
| 369 | V | A | 2.1554 | |
| 370 | A | A | 0.8028 | |
| 371 | E | A | -0.6093 | |
| 372 | A | A | 0.0181 | |
| 373 | V | A | 0.9762 | |
| 374 | A | A | -0.1983 | |
| 375 | G | A | -1.3732 | |
| 376 | D | A | -2.7826 | |
| 377 | R | A | -3.2627 | |
| 378 | N | A | -2.6458 | |
| 379 | A | A | -1.3815 | |
| 380 | L | A | -0.4767 | |
| 381 | R | A | -2.0445 | |
| 382 | E | A | -1.5641 | |
| 383 | V | A | 0.4243 | |
| 384 | G | A | -0.3904 | |
| 385 | P | A | -0.5936 | |
| 386 | G | A | -0.5198 | |
| 387 | P | A | -0.1747 | |
| 388 | G | A | 0.3662 | |
| 389 | V | A | 1.8446 | |
| 390 | V | A | 1.5227 | |
| 391 | E | A | -0.9871 | |
| 392 | N | A | -1.3381 | |
| 393 | L | A | -0.0235 | |
| 394 | N | A | -1.4958 | |
| 395 | A | A | -1.3477 | |
| 396 | D | A | -2.3020 | |
| 397 | A | A | -1.4212 | |
| 398 | D | A | -1.2909 | |
| 399 | V | A | 0.8429 | |
| 400 | A | A | 0.3100 | |
| 401 | G | A | -0.3693 | |
| 402 | T | A | -0.8894 | |
| 403 | Q | A | -1.4711 | |
| 404 | T | A | -0.9716 | |
| 405 | G | A | -1.0449 | |
| 406 | P | A | -0.8153 | |
| 407 | G | A | -1.1518 | |
| 408 | P | A | -1.2511 | |
| 409 | G | A | -1.9727 | |
| 410 | R | A | -3.1965 | |
| 411 | R | A | -3.0084 | |
| 412 | S | A | -1.7183 | |
| 413 | A | A | -1.1305 | |
| 414 | R | A | -1.5271 | |
| 415 | F | A | -0.0230 | |
| 416 | R | A | -1.3813 | |
| 417 | N | A | -0.6219 | |
| 418 | V | A | 1.6248 | |
| 419 | V | A | 1.8355 | |
| 420 | G | A | 0.3573 | |
| 421 | S | A | -0.3212 | |
| 422 | T | A | -1.2816 | |
| 423 | D | A | -2.6026 | |
| 424 | Q | A | -2.3178 | |
| 425 | S | A | -1.4618 | |
| 426 | G | A | -1.2328 | |
| 427 | T | A | -0.7528 | |
| 428 | G | A | -0.8944 | |
| 429 | P | A | -0.9075 | |
| 430 | G | A | -0.9867 | |
| 431 | P | A | -1.2829 | |
| 432 | G | A | -1.6054 | |
| 433 | G | A | -2.2589 | |
| 434 | N | A | -2.8825 | |
| 435 | R | A | -2.9658 | |
| 436 | H | A | -2.6520 | |
| 437 | R | A | -2.7346 | |
| 438 | L | A | -0.8495 | |
| 439 | V | A | -0.4483 | |
| 440 | L | A | -0.3631 | |
| 441 | D | A | -1.6671 | |
| 442 | D | A | -1.2926 | |
| 443 | V | A | 0.0558 | |
| 444 | L | A | -0.3416 | |
| 445 | A | A | -1.1616 | |
| 446 | Y | A | -0.8379 | |
| 447 | R | A | -2.7327 | |
| 448 | E | A | -2.7748 | |
| 449 | A | A | -2.1062 | |
| 450 | R | A | -3.0774 | |
| 451 | G | A | -2.1818 | |
| 452 | S | A | -1.4302 | |
| 453 | G | A | -1.1859 | |
| 454 | A | A | -0.6396 | |
| 455 | T | A | -0.1700 | |
| 456 | N | A | -0.2153 | |
| 457 | F | A | 1.3251 | |
| 458 | S | A | 0.2950 | |
| 459 | L | A | 0.3994 | |
| 460 | L | A | 0.3188 | |
| 461 | K | A | -1.6227 | |
| 462 | Q | A | -1.3523 | |
| 463 | A | A | -1.0943 | |
| 464 | G | A | -1.8966 | |
| 465 | D | A | -2.6742 | |
| 466 | V | A | -2.2902 | |
| 467 | E | A | -3.5839 | |
| 468 | E | A | -3.5989 | |
| 469 | N | A | -2.8794 | |
| 470 | P | A | -2.0619 | |
| 471 | G | A | -1.1036 | |
| 472 | P | A | -0.7007 | |
| 473 | M | A | -0.3907 | |
| 474 | D | A | -1.5651 | |
| 475 | A | A | -1.0174 | |
| 476 | M | A | -0.8170 | |
| 477 | K | A | -0.8494 | |
| 478 | R | A | -0.9173 | |
| 479 | G | A | -0.4176 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | 0.4517 | |
| 482 | C | A | 1.1770 | |
| 483 | V | A | 1.0765 | |
| 484 | L | A | 0.0000 | |
| 485 | L | A | 1.4038 | |
| 486 | L | A | 1.7835 | |
| 487 | C | A | 0.0000 | |
| 488 | G | A | 0.0000 | |
| 489 | A | A | 1.4291 | |
| 490 | V | A | 0.7398 | |
| 491 | F | A | 0.0000 | |
| 492 | V | A | 1.7603 | |
| 493 | S | A | 0.4714 | |
| 494 | P | A | -0.1136 | |
| 495 | S | A | -0.4231 | |
| 496 | G | A | -0.6570 | |
| 497 | G | A | -0.8860 | |
| 498 | S | A | -0.4844 | |
| 499 | G | A | -0.8151 | |
| 500 | G | A | -1.2203 | |
| 501 | R | A | -1.0845 | |
| 502 | V | A | 0.0000 | |
| 503 | E | A | -2.1365 | |
| 504 | R | A | -2.2142 | |
| 505 | V | A | 0.0000 | |
| 506 | A | A | 0.0000 | |
| 507 | L | A | -0.9707 | |
| 508 | A | A | -0.4088 | |
| 509 | L | A | 0.0000 | |
| 510 | L | A | 0.0000 | |
| 511 | T | A | -1.3844 | |
| 512 | Y | A | -1.3925 | |
| 513 | V | A | 0.0000 | |
| 514 | E | A | -3.0997 | |
| 515 | E | A | -3.5359 | |
| 516 | R | A | -3.6072 | |
| 517 | T | A | -2.7883 | |
| 518 | D | A | -2.5441 | |
| 519 | G | A | 0.0000 | |
| 520 | F | A | 0.0000 | |
| 521 | R | A | -1.5510 | |
| 522 | I | A | -0.0060 | |
| 523 | M | A | 0.0000 | |
| 524 | I | A | -0.6419 | |
| 525 | R | A | -2.1201 | |
| 526 | D | A | -2.2948 | |
| 527 | S | A | -1.0148 | |
| 528 | P | A | -0.8169 | |
| 529 | A | A | -0.2087 | |
| 530 | S | A | 0.2426 | |
| 531 | I | A | 0.7434 | |
| 532 | S | A | 0.1690 | |
| 533 | S | A | -0.1511 | |
| 534 | G | A | -0.3561 | |
| 535 | T | A | -0.5458 | |
| 536 | Y | A | 0.0000 | |
| 537 | S | A | -0.7786 | |
| 538 | S | A | -0.9209 | |
| 539 | L | A | -0.7337 | |
| 540 | L | A | -0.9927 | |
| 541 | N | A | -2.0165 | |
| 542 | D | A | -1.7270 | |
| 543 | A | A | 0.0000 | |
| 544 | V | A | -0.9259 | |
| 545 | S | A | -1.1732 | |
| 546 | Q | A | -0.7048 | |
| 547 | V | A | 0.0000 | |
| 548 | S | A | -0.2877 | |
| 549 | S | A | -0.3256 | |
| 550 | I | A | 0.3810 | |
| 551 | L | A | 0.1636 | |
| 552 | A | A | -1.0055 | |
| 553 | G | A | -0.8383 | |
| 554 | D | A | -1.8317 | |
| 555 | F | A | -1.8681 | |
| 556 | A | A | -2.2289 | |
| 557 | R | A | -3.1853 | |
| 558 | R | A | -3.1662 | |
| 559 | G | A | -2.0685 | |
| 560 | L | A | -1.5044 | |
| 561 | D | A | -2.4004 | |
| 562 | P | A | -1.9315 | |
| 563 | D | A | -1.5788 | |
| 564 | L | A | 0.2322 | |
| 565 | A | A | 0.0000 | |
| 566 | P | A | 0.2940 | |
| 567 | L | A | 1.4420 | |
| 568 | Y | A | 1.0289 | |
| 569 | A | A | 0.0000 | |
| 570 | Q | A | -0.6685 | |
| 571 | A | A | 0.1126 | |
| 572 | L | A | 0.1905 | |
| 573 | V | A | 0.0000 | |
| 574 | G | A | -0.2445 | |
| 575 | S | A | 0.2969 | |
| 576 | V | A | 0.0000 | |
| 577 | S | A | 0.0000 | |
| 578 | M | A | 1.0569 | |
| 579 | T | A | 0.6426 | |
| 580 | A | A | 0.0000 | |
| 581 | Q | A | 0.0416 | |
| 582 | W | A | 0.2173 | |
| 583 | W | A | 0.0000 | |
| 584 | L | A | -1.4168 | |
| 585 | D | A | -2.0412 | |
| 586 | A | A | -1.6848 | |
| 587 | R | A | -2.4734 | |
| 588 | E | A | -2.8276 | |
| 589 | P | A | -2.3536 | |
| 590 | K | A | -2.9957 | |
| 591 | K | A | -2.5089 | |
| 592 | E | A | -2.5811 | |
| 593 | V | A | -1.3891 | |
| 594 | V | A | 0.0000 | |
| 595 | A | A | 0.0000 | |
| 596 | A | A | -1.1736 | |
| 597 | H | A | -1.0167 | |
| 598 | L | A | 0.0000 | |
| 599 | V | A | -0.4847 | |
| 600 | N | A | -0.8447 | |
| 601 | L | A | 0.6743 | |
| 602 | V | A | 0.5518 | |
| 603 | W | A | 0.3066 | |
| 604 | N | A | -1.1634 | |
| 605 | G | A | -0.8041 | |
| 606 | S | A | -0.9721 | |
| 607 | G | A | -1.6444 | |
| 608 | H | A | -2.6233 | |
| 609 | H | A | -2.9675 | |
| 610 | H | A | -2.8328 | |
| 611 | H | A | -2.7889 | |
| 612 | H | A | -2.6179 | |
| 613 | H | A | -2.0664 |
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 | 0.1311 | 6.894 | View | CSV | PDB |
| 4.5 | 0.0498 | 6.8116 | View | CSV | PDB |
| 5.0 | -0.0531 | 6.7129 | View | CSV | PDB |
| 5.5 | -0.1582 | 6.6073 | View | CSV | PDB |
| 6.0 | -0.2484 | 6.4994 | View | CSV | PDB |
| 6.5 | -0.314 | 6.3908 | View | CSV | PDB |
| 7.0 | -0.3543 | 6.2823 | View | CSV | PDB |
| 7.5 | -0.3774 | 6.1748 | View | CSV | PDB |
| 8.0 | -0.3914 | 6.0709 | View | CSV | PDB |
| 8.5 | -0.3981 | 6.0703 | View | CSV | PDB |
| 9.0 | -0.3955 | 6.2714 | 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