| Chain sequence(s) |
A: AKFVAAWTLKAAAEAAAKLTAREIAPKAAYHMREVEADFAAYVYYADVEGFAAYDVIGFPALAAAYLLVGTTLEVAAYVEGTVQFAWAAYVVYEHFGGKAAYRVRVERVALAAAYRLKDEIVAAAAYSPGCVRFVTLAAYAFLYGIAAHKAAYYPAETLPERWAAYAVLWRYALRAAYVLWRYALRLAAYEARRVVAARAAYSAEVEALEALAAYTSIEEIAQRAAYAQVETAIAVGSGATNFSLLKQAGDVEENPGPGIGNQANYAASKAGVIGGPGPGVYRLAYRLSGNQHDAEDLGPGPGRRHHRQLHRLARLTSRTSGPGPGEDLKLLGVHIFGTGPGPGGIGLAIAQRLAADGHKVGPGPGAVVAEAVAGDRNALREVGPGPGVVENLNADADVAGTQTGPGPGRRSARFRNVVGSTDQSGTGPGPGGNRHRLVLDDVLAYREARGSGATNFSLLKQAGDVEENPGPMDAMKRGLCCVLLLCGAVFVSPSGGSGGTDNRQRLHVAVQAFFDFIEHDSQGYRLIFENDFVTEPEVAAQVRVATESCIDAVFALISADSGLDPHRARMIAVGLVGMSVDCARYWLDADKPISKSDAVEGTVQFAWGGLSHGSGHHHHHH
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 (00:10:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/576ccd059af154f/tmp/folded.pdb (00:10:08)
[INFO] Main: Simulation completed successfully. (00:12:40)
|
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 | 0.2720 | |
| 2 | K | A | -0.1623 | |
| 3 | F | A | 2.2483 | |
| 4 | V | A | 2.2130 | |
| 5 | A | A | 1.2512 | |
| 6 | A | A | 1.3207 | |
| 7 | W | A | 1.8427 | |
| 8 | T | A | 1.2244 | |
| 9 | L | A | 1.2769 | |
| 10 | K | A | -0.8297 | |
| 11 | A | A | -0.5461 | |
| 12 | A | A | -0.4403 | |
| 13 | A | A | -0.9054 | |
| 14 | E | A | -2.2248 | |
| 15 | A | A | -1.0868 | |
| 16 | A | A | -0.9286 | |
| 17 | A | A | -1.0769 | |
| 18 | K | A | -2.1753 | |
| 19 | L | A | -0.6870 | |
| 20 | T | A | -0.7954 | |
| 21 | A | A | -1.1428 | |
| 22 | R | A | -2.5725 | |
| 23 | E | A | -2.2258 | |
| 24 | I | A | -0.1996 | |
| 25 | A | A | -0.3088 | |
| 26 | P | A | -0.7850 | |
| 27 | K | A | -1.1224 | |
| 28 | A | A | -0.2605 | |
| 29 | A | A | -0.1470 | |
| 30 | Y | A | -0.1574 | |
| 31 | H | A | -1.2411 | |
| 32 | M | A | -1.2157 | |
| 33 | R | A | -2.5825 | |
| 34 | E | A | -2.6837 | |
| 35 | V | A | 0.0000 | |
| 36 | E | A | -2.4528 | |
| 37 | A | A | -1.5097 | |
| 38 | D | A | 0.0000 | |
| 39 | F | A | 0.3823 | |
| 40 | A | A | 0.8690 | |
| 41 | A | A | 0.9167 | |
| 42 | Y | A | 1.1131 | |
| 43 | V | A | 2.2263 | |
| 44 | Y | A | 2.1347 | |
| 45 | Y | A | 1.2722 | |
| 46 | A | A | 0.5992 | |
| 47 | D | A | -0.1632 | |
| 48 | V | A | 1.2303 | |
| 49 | E | A | 0.2208 | |
| 50 | G | A | -0.1820 | |
| 51 | F | A | 0.6362 | |
| 52 | A | A | 0.5193 | |
| 53 | A | A | 1.0522 | |
| 54 | Y | A | 1.2953 | |
| 55 | D | A | -0.0358 | |
| 56 | V | A | 1.4105 | |
| 57 | I | A | 2.7011 | |
| 58 | G | A | 1.6675 | |
| 59 | F | A | 2.5700 | |
| 60 | P | A | 2.1693 | |
| 61 | A | A | 2.0875 | |
| 62 | L | A | 2.6998 | |
| 63 | A | A | 1.9937 | |
| 64 | A | A | 1.9477 | |
| 65 | A | A | 1.9500 | |
| 66 | Y | A | 2.6250 | |
| 67 | L | A | 1.9738 | |
| 68 | L | A | 2.1714 | |
| 69 | V | A | 2.5927 | |
| 70 | G | A | 1.3148 | |
| 71 | T | A | 0.7910 | |
| 72 | T | A | 1.1900 | |
| 73 | L | A | 1.2498 | |
| 74 | E | A | -0.8010 | |
| 75 | V | A | 0.0268 | |
| 76 | A | A | -0.2062 | |
| 77 | A | A | -0.5535 | |
| 78 | Y | A | -0.4481 | |
| 79 | V | A | -0.6041 | |
| 80 | E | A | -1.8861 | |
| 81 | G | A | -0.8383 | |
| 82 | T | A | -0.0259 | |
| 83 | V | A | -0.1573 | |
| 84 | Q | A | -0.5688 | |
| 85 | F | A | 1.4638 | |
| 86 | A | A | 1.0525 | |
| 87 | W | A | 1.4380 | |
| 88 | A | A | 1.6019 | |
| 89 | A | A | 1.1147 | |
| 90 | Y | A | 1.2385 | |
| 91 | V | A | 2.0324 | |
| 92 | V | A | 2.1985 | |
| 93 | Y | A | 0.5547 | |
| 94 | E | A | -0.9736 | |
| 95 | H | A | -0.0810 | |
| 96 | F | A | 1.4150 | |
| 97 | G | A | -0.3697 | |
| 98 | G | A | -1.0666 | |
| 99 | K | A | -2.1291 | |
| 100 | A | A | -1.1539 | |
| 101 | A | A | -0.8121 | |
| 102 | Y | A | -0.9138 | |
| 103 | R | A | -1.8018 | |
| 104 | V | A | -0.5190 | |
| 105 | R | A | -1.7519 | |
| 106 | V | A | -0.6654 | |
| 107 | E | A | -1.0972 | |
| 108 | R | A | -1.5266 | |
| 109 | V | A | -0.1113 | |
| 110 | A | A | 0.0000 | |
| 111 | L | A | -0.6761 | |
| 112 | A | A | -0.6388 | |
| 113 | A | A | -0.4867 | |
| 114 | A | A | 0.0000 | |
| 115 | Y | A | -1.4171 | |
| 116 | R | A | -2.7309 | |
| 117 | L | A | -1.7254 | |
| 118 | K | A | -1.8833 | |
| 119 | D | A | -3.0502 | |
| 120 | E | A | -2.9138 | |
| 121 | I | A | 0.0000 | |
| 122 | V | A | -0.5202 | |
| 123 | A | A | -0.4933 | |
| 124 | A | A | -0.1177 | |
| 125 | A | A | 0.0000 | |
| 126 | A | A | 0.8279 | |
| 127 | Y | A | 1.3630 | |
| 128 | S | A | 0.6288 | |
| 129 | P | A | 0.2750 | |
| 130 | G | A | 0.6977 | |
| 131 | C | A | 1.3525 | |
| 132 | V | A | 1.4885 | |
| 133 | R | A | 1.0960 | |
| 134 | F | A | 1.5583 | |
| 135 | V | A | 2.1924 | |
| 136 | T | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | A | A | 1.4946 | |
| 139 | A | A | 1.3678 | |
| 140 | Y | A | 0.0000 | |
| 141 | A | A | 1.7266 | |
| 142 | F | A | 2.5928 | |
| 143 | L | A | 1.7400 | |
| 144 | Y | A | 0.0000 | |
| 145 | G | A | 1.4502 | |
| 146 | I | A | 1.7884 | |
| 147 | A | A | 0.8070 | |
| 148 | A | A | 0.0000 | |
| 149 | H | A | 0.4264 | |
| 150 | K | A | 0.2125 | |
| 151 | A | A | 0.1592 | |
| 152 | A | A | 0.0000 | |
| 153 | Y | A | 0.9116 | |
| 154 | Y | A | 1.1101 | |
| 155 | P | A | 0.0616 | |
| 156 | A | A | -0.3529 | |
| 157 | E | A | -1.5441 | |
| 158 | T | A | -0.5369 | |
| 159 | L | A | 0.8947 | |
| 160 | P | A | 0.0541 | |
| 161 | E | A | -0.7103 | |
| 162 | R | A | 0.1454 | |
| 163 | W | A | 1.2298 | |
| 164 | A | A | 0.5212 | |
| 165 | A | A | 0.2483 | |
| 166 | Y | A | 0.5064 | |
| 167 | A | A | 0.2403 | |
| 168 | V | A | 0.1334 | |
| 169 | L | A | 0.2719 | |
| 170 | W | A | 0.3070 | |
| 171 | R | A | -1.0335 | |
| 172 | Y | A | -0.1979 | |
| 173 | A | A | 0.0000 | |
| 174 | L | A | 0.8516 | |
| 175 | R | A | -0.0650 | |
| 176 | A | A | 0.0000 | |
| 177 | A | A | 0.8849 | |
| 178 | Y | A | 0.7968 | |
| 179 | V | A | 0.7375 | |
| 180 | L | A | 0.0000 | |
| 181 | W | A | 0.7190 | |
| 182 | R | A | -0.2452 | |
| 183 | Y | A | 0.0248 | |
| 184 | A | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | R | A | -1.1274 | |
| 187 | L | A | -0.3186 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | -0.0615 | |
| 190 | Y | A | -0.2308 | |
| 191 | E | A | -0.9745 | |
| 192 | A | A | 0.0000 | |
| 193 | R | A | -2.0530 | |
| 194 | R | A | -2.2098 | |
| 195 | V | A | -0.7352 | |
| 196 | V | A | -0.6581 | |
| 197 | A | A | -0.9108 | |
| 198 | A | A | -0.5585 | |
| 199 | R | A | -0.9869 | |
| 200 | A | A | -0.1476 | |
| 201 | A | A | 0.2515 | |
| 202 | Y | A | 0.5340 | |
| 203 | S | A | -0.2518 | |
| 204 | A | A | -0.6440 | |
| 205 | E | A | -1.0278 | |
| 206 | V | A | -0.5475 | |
| 207 | E | A | -2.0534 | |
| 208 | A | A | -1.0618 | |
| 209 | L | A | -1.0226 | |
| 210 | E | A | -2.0137 | |
| 211 | A | A | -0.7434 | |
| 212 | L | A | -0.3426 | |
| 213 | A | A | -0.2769 | |
| 214 | A | A | 0.1658 | |
| 215 | Y | A | 0.6794 | |
| 216 | T | A | 0.4318 | |
| 217 | S | A | 0.2805 | |
| 218 | I | A | 1.1683 | |
| 219 | E | A | -1.4484 | |
| 220 | E | A | -1.4569 | |
| 221 | I | A | -0.3567 | |
| 222 | A | A | -0.7338 | |
| 223 | Q | A | -1.4408 | |
| 224 | R | A | -1.7089 | |
| 225 | A | A | -0.8207 | |
| 226 | A | A | -0.9496 | |
| 227 | Y | A | -0.7717 | |
| 228 | A | A | -1.1768 | |
| 229 | Q | A | -1.1961 | |
| 230 | V | A | 0.0000 | |
| 231 | E | A | -1.2060 | |
| 232 | T | A | -0.2101 | |
| 233 | A | A | 0.4666 | |
| 234 | I | A | 1.3002 | |
| 235 | A | A | 1.0117 | |
| 236 | V | A | 1.8030 | |
| 237 | G | A | 0.7992 | |
| 238 | S | A | 0.3530 | |
| 239 | G | A | 0.2001 | |
| 240 | A | A | 0.2053 | |
| 241 | T | A | 0.6815 | |
| 242 | N | A | 0.4655 | |
| 243 | F | A | 1.2407 | |
| 244 | S | A | 0.0197 | |
| 245 | L | A | -0.2047 | |
| 246 | L | A | -0.6990 | |
| 247 | K | A | -2.5036 | |
| 248 | Q | A | -1.9881 | |
| 249 | A | A | -1.7700 | |
| 250 | G | A | -2.3017 | |
| 251 | D | A | -2.7623 | |
| 252 | V | A | -2.5258 | |
| 253 | E | A | -3.6018 | |
| 254 | E | A | -3.4558 | |
| 255 | N | A | -2.8004 | |
| 256 | P | A | -1.6070 | |
| 257 | G | A | -0.8507 | |
| 258 | P | A | -0.5798 | |
| 259 | G | A | -0.7766 | |
| 260 | I | A | -0.3482 | |
| 261 | G | A | -0.9081 | |
| 262 | N | A | -1.8847 | |
| 263 | Q | A | -1.5666 | |
| 264 | A | A | -1.0742 | |
| 265 | N | A | -1.8608 | |
| 266 | Y | A | -0.6075 | |
| 267 | A | A | -0.6819 | |
| 268 | A | A | -0.2860 | |
| 269 | S | A | -0.4758 | |
| 270 | K | A | -1.4675 | |
| 271 | A | A | -0.1735 | |
| 272 | G | A | 0.2961 | |
| 273 | V | A | 2.0355 | |
| 274 | I | A | 2.4004 | |
| 275 | G | A | 0.5812 | |
| 276 | G | A | -0.5901 | |
| 277 | P | A | -0.3808 | |
| 278 | G | A | -0.2658 | |
| 279 | P | A | -0.4757 | |
| 280 | G | A | -0.3094 | |
| 281 | V | A | 0.3217 | |
| 282 | Y | A | 0.5891 | |
| 283 | R | A | -0.8963 | |
| 284 | L | A | 0.0183 | |
| 285 | A | A | 0.8042 | |
| 286 | Y | A | 0.3964 | |
| 287 | R | A | -1.2916 | |
| 288 | L | A | 0.7235 | |
| 289 | S | A | -0.2749 | |
| 290 | G | A | -1.3671 | |
| 291 | N | A | -2.6745 | |
| 292 | Q | A | -3.3616 | |
| 293 | H | A | -3.1133 | |
| 294 | D | A | -3.4576 | |
| 295 | A | A | -2.7117 | |
| 296 | E | A | -3.0779 | |
| 297 | D | A | -2.4208 | |
| 298 | L | A | -0.3597 | |
| 299 | G | A | -0.6915 | |
| 300 | P | A | -0.6137 | |
| 301 | G | A | -0.9259 | |
| 302 | P | A | -1.3978 | |
| 303 | G | A | -2.2456 | |
| 304 | R | A | -3.7214 | |
| 305 | R | A | -4.2132 | |
| 306 | H | A | -3.5141 | |
| 307 | H | A | -3.3704 | |
| 308 | R | A | -3.8999 | |
| 309 | Q | A | -2.6966 | |
| 310 | L | A | -1.1096 | |
| 311 | H | A | -2.4467 | |
| 312 | R | A | -2.6577 | |
| 313 | L | A | -0.6028 | |
| 314 | A | A | -1.0681 | |
| 315 | R | A | -2.2082 | |
| 316 | L | A | -0.7554 | |
| 317 | T | A | -0.8361 | |
| 318 | S | A | -1.3883 | |
| 319 | R | A | -2.2059 | |
| 320 | T | A | -1.2493 | |
| 321 | S | A | -1.1648 | |
| 322 | G | A | -1.2467 | |
| 323 | P | A | -1.1560 | |
| 324 | G | A | -1.2282 | |
| 325 | P | A | -1.4193 | |
| 326 | G | A | -1.8549 | |
| 327 | E | A | -2.8385 | |
| 328 | D | A | -2.3007 | |
| 329 | L | A | -0.0702 | |
| 330 | K | A | -0.5386 | |
| 331 | L | A | 1.7683 | |
| 332 | L | A | 2.2368 | |
| 333 | G | A | 1.0504 | |
| 334 | V | A | 2.4747 | |
| 335 | H | A | 1.5465 | |
| 336 | I | A | 2.9570 | |
| 337 | F | A | 2.4905 | |
| 338 | G | A | 0.5614 | |
| 339 | T | A | 0.0848 | |
| 340 | G | A | -0.6857 | |
| 341 | P | A | -0.8182 | |
| 342 | G | A | -0.7825 | |
| 343 | P | A | -0.6656 | |
| 344 | G | A | -0.4477 | |
| 345 | G | A | 0.1407 | |
| 346 | I | A | 1.7600 | |
| 347 | G | A | 0.9870 | |
| 348 | L | A | 1.0906 | |
| 349 | A | A | 0.6479 | |
| 350 | I | A | 1.3059 | |
| 351 | A | A | 0.3955 | |
| 352 | Q | A | -1.3082 | |
| 353 | R | A | -2.1215 | |
| 354 | L | A | -1.2490 | |
| 355 | A | A | -1.4681 | |
| 356 | A | A | -2.0567 | |
| 357 | D | A | -2.8929 | |
| 358 | G | A | -2.0757 | |
| 359 | H | A | -2.2368 | |
| 360 | K | A | -1.7387 | |
| 361 | V | A | 0.5753 | |
| 362 | G | A | -0.2924 | |
| 363 | P | A | -0.3863 | |
| 364 | G | A | -0.3768 | |
| 365 | P | A | -0.6973 | |
| 366 | G | A | -0.2078 | |
| 367 | A | A | 1.3104 | |
| 368 | V | A | 2.5486 | |
| 369 | V | A | 2.4467 | |
| 370 | A | A | 0.7409 | |
| 371 | E | A | -0.8315 | |
| 372 | A | A | -0.2048 | |
| 373 | V | A | 0.9576 | |
| 374 | A | A | -0.1913 | |
| 375 | G | A | -1.4010 | |
| 376 | D | A | -2.7462 | |
| 377 | R | A | -3.2981 | |
| 378 | N | A | -2.9455 | |
| 379 | A | A | -1.3961 | |
| 380 | L | A | -0.5083 | |
| 381 | R | A | -2.1353 | |
| 382 | E | A | -1.8890 | |
| 383 | V | A | 0.3666 | |
| 384 | G | A | -0.4686 | |
| 385 | P | A | -0.6385 | |
| 386 | G | A | -0.6281 | |
| 387 | P | A | -0.3015 | |
| 388 | G | A | 0.7158 | |
| 389 | V | A | 2.1708 | |
| 390 | V | A | 2.1261 | |
| 391 | E | A | -0.5529 | |
| 392 | N | A | -1.0951 | |
| 393 | L | A | -0.0426 | |
| 394 | N | A | -1.6557 | |
| 395 | A | A | -1.4380 | |
| 396 | D | A | -2.4521 | |
| 397 | A | A | -1.4579 | |
| 398 | D | A | -1.2850 | |
| 399 | V | A | 0.8418 | |
| 400 | A | A | 0.3052 | |
| 401 | G | A | -0.3921 | |
| 402 | T | A | -0.8862 | |
| 403 | Q | A | -1.5214 | |
| 404 | T | A | -0.9980 | |
| 405 | G | A | -1.0203 | |
| 406 | P | A | -0.9775 | |
| 407 | G | A | -1.1559 | |
| 408 | P | A | -1.3649 | |
| 409 | G | A | -2.0790 | |
| 410 | R | A | -3.1264 | |
| 411 | R | A | -3.1598 | |
| 412 | S | A | -1.8606 | |
| 413 | A | A | -1.3222 | |
| 414 | R | A | -1.7417 | |
| 415 | F | A | 0.0359 | |
| 416 | R | A | -1.2952 | |
| 417 | N | A | -0.6186 | |
| 418 | V | A | 1.5845 | |
| 419 | V | A | 1.8144 | |
| 420 | G | A | 0.4202 | |
| 421 | S | A | -0.2587 | |
| 422 | T | A | -1.2713 | |
| 423 | D | A | -2.5575 | |
| 424 | Q | A | -2.2836 | |
| 425 | S | A | -1.4489 | |
| 426 | G | A | -0.9654 | |
| 427 | T | A | -0.6708 | |
| 428 | G | A | -0.8954 | |
| 429 | P | A | -0.8329 | |
| 430 | G | A | -1.0259 | |
| 431 | P | A | -1.4737 | |
| 432 | G | A | -1.8109 | |
| 433 | G | A | -2.4044 | |
| 434 | N | A | -2.9019 | |
| 435 | R | A | -2.9208 | |
| 436 | H | A | -2.6104 | |
| 437 | R | A | -2.8913 | |
| 438 | L | A | -0.7828 | |
| 439 | V | A | -0.1113 | |
| 440 | L | A | 0.0000 | |
| 441 | D | A | -2.0951 | |
| 442 | D | A | -1.7734 | |
| 443 | V | A | -0.5624 | |
| 444 | L | A | -1.2163 | |
| 445 | A | A | -1.7423 | |
| 446 | Y | A | -1.6079 | |
| 447 | R | A | -2.7311 | |
| 448 | E | A | -2.7195 | |
| 449 | A | A | -1.9883 | |
| 450 | R | A | -2.8890 | |
| 451 | G | A | -2.2525 | |
| 452 | S | A | -1.5505 | |
| 453 | G | A | -1.2531 | |
| 454 | A | A | -0.9086 | |
| 455 | T | A | -0.2327 | |
| 456 | N | A | -0.3343 | |
| 457 | F | A | 1.1616 | |
| 458 | S | A | 0.0983 | |
| 459 | L | A | 0.3463 | |
| 460 | L | A | -0.2411 | |
| 461 | K | A | -2.2037 | |
| 462 | Q | A | -1.6706 | |
| 463 | A | A | -1.1435 | |
| 464 | G | A | -2.0448 | |
| 465 | D | A | -2.5056 | |
| 466 | V | A | -2.3534 | |
| 467 | E | A | -3.4858 | |
| 468 | E | A | -3.3608 | |
| 469 | N | A | -2.7818 | |
| 470 | P | A | -1.7796 | |
| 471 | G | A | -0.7034 | |
| 472 | P | A | -0.3937 | |
| 473 | M | A | -0.1983 | |
| 474 | D | A | -1.2402 | |
| 475 | A | A | -0.7661 | |
| 476 | M | A | 0.0000 | |
| 477 | K | A | -1.3719 | |
| 478 | R | A | -0.6756 | |
| 479 | G | A | 0.0000 | |
| 480 | L | A | 0.0000 | |
| 481 | C | A | 0.6344 | |
| 482 | C | A | 0.8196 | |
| 483 | V | A | 0.9652 | |
| 484 | L | A | 1.1943 | |
| 485 | L | A | 1.2476 | |
| 486 | L | A | 1.2276 | |
| 487 | C | A | 0.0000 | |
| 488 | G | A | 0.5557 | |
| 489 | A | A | 0.0000 | |
| 490 | V | A | 0.4981 | |
| 491 | F | A | 0.0000 | |
| 492 | V | A | 0.6869 | |
| 493 | S | A | 0.0747 | |
| 494 | P | A | -0.3878 | |
| 495 | S | A | -0.7261 | |
| 496 | G | A | -1.0188 | |
| 497 | G | A | -1.1941 | |
| 498 | S | A | -1.1771 | |
| 499 | G | A | -1.2748 | |
| 500 | G | A | -1.8193 | |
| 501 | T | A | -1.7193 | |
| 502 | D | A | -2.1405 | |
| 503 | N | A | -2.3135 | |
| 504 | R | A | -2.7937 | |
| 505 | Q | A | -2.2394 | |
| 506 | R | A | -1.4040 | |
| 507 | L | A | 0.0000 | |
| 508 | H | A | -1.3570 | |
| 509 | V | A | -0.0022 | |
| 510 | A | A | -0.0312 | |
| 511 | V | A | 0.0000 | |
| 512 | Q | A | -0.5100 | |
| 513 | A | A | 0.1430 | |
| 514 | F | A | 0.2078 | |
| 515 | F | A | 0.0000 | |
| 516 | D | A | -1.0505 | |
| 517 | F | A | -0.6352 | |
| 518 | I | A | 0.0000 | |
| 519 | E | A | -1.7415 | |
| 520 | H | A | -1.9535 | |
| 521 | D | A | -2.1783 | |
| 522 | S | A | -1.9485 | |
| 523 | Q | A | -2.3716 | |
| 524 | G | A | 0.0000 | |
| 525 | Y | A | 0.0000 | |
| 526 | R | A | -2.6325 | |
| 527 | L | A | -1.1967 | |
| 528 | I | A | 0.0000 | |
| 529 | F | A | -0.7154 | |
| 530 | E | A | -1.9242 | |
| 531 | N | A | -1.3370 | |
| 532 | D | A | -1.4232 | |
| 533 | F | A | -0.3472 | |
| 534 | V | A | -0.5104 | |
| 535 | T | A | -0.7446 | |
| 536 | E | A | -1.3125 | |
| 537 | P | A | -1.3374 | |
| 538 | E | A | -2.2760 | |
| 539 | V | A | 0.0000 | |
| 540 | A | A | -0.8130 | |
| 541 | A | A | -0.9801 | |
| 542 | Q | A | -1.0847 | |
| 543 | V | A | 0.0000 | |
| 544 | R | A | -1.4768 | |
| 545 | V | A | 0.2663 | |
| 546 | A | A | 0.0000 | |
| 547 | T | A | -0.8797 | |
| 548 | E | A | -1.8355 | |
| 549 | S | A | -0.9369 | |
| 550 | C | A | -0.3761 | |
| 551 | I | A | -0.4653 | |
| 552 | D | A | -1.6206 | |
| 553 | A | A | -0.4368 | |
| 554 | V | A | 0.0000 | |
| 555 | F | A | -0.1604 | |
| 556 | A | A | -0.2197 | |
| 557 | L | A | -0.0912 | |
| 558 | I | A | -0.4499 | |
| 559 | S | A | -0.8305 | |
| 560 | A | A | -0.6368 | |
| 561 | D | A | -1.8326 | |
| 562 | S | A | -0.9569 | |
| 563 | G | A | -0.8087 | |
| 564 | L | A | -0.8450 | |
| 565 | D | A | -1.4714 | |
| 566 | P | A | -1.2915 | |
| 567 | H | A | -1.8121 | |
| 568 | R | A | -1.7671 | |
| 569 | A | A | 0.0000 | |
| 570 | R | A | -0.6016 | |
| 571 | M | A | 0.7143 | |
| 572 | I | A | 1.2597 | |
| 573 | A | A | 0.0000 | |
| 574 | V | A | 0.7867 | |
| 575 | G | A | 0.7738 | |
| 576 | L | A | 1.0369 | |
| 577 | V | A | 0.0000 | |
| 578 | G | A | -0.2654 | |
| 579 | M | A | -0.2799 | |
| 580 | S | A | -0.3065 | |
| 581 | V | A | -0.5318 | |
| 582 | D | A | -1.4705 | |
| 583 | C | A | -0.5465 | |
| 584 | A | A | 0.0000 | |
| 585 | R | A | -1.3525 | |
| 586 | Y | A | -0.3893 | |
| 587 | W | A | 0.0000 | |
| 588 | L | A | -1.9068 | |
| 589 | D | A | -2.2639 | |
| 590 | A | A | -1.6042 | |
| 591 | D | A | -2.5132 | |
| 592 | K | A | -1.9911 | |
| 593 | P | A | -0.8414 | |
| 594 | I | A | -0.2292 | |
| 595 | S | A | -0.9401 | |
| 596 | K | A | -1.5379 | |
| 597 | S | A | -1.7096 | |
| 598 | D | A | -2.4945 | |
| 599 | A | A | 0.0000 | |
| 600 | V | A | 0.0000 | |
| 601 | E | A | -2.7934 | |
| 602 | G | A | -1.5719 | |
| 603 | T | A | 0.0000 | |
| 604 | V | A | 0.0000 | |
| 605 | Q | A | -0.8210 | |
| 606 | F | A | 0.8957 | |
| 607 | A | A | 0.4697 | |
| 608 | W | A | 0.3501 | |
| 609 | G | A | 0.2688 | |
| 610 | G | A | 0.6869 | |
| 611 | L | A | 1.1444 | |
| 612 | S | A | -0.0203 | |
| 613 | H | A | -0.8470 | |
| 614 | G | A | -0.7149 | |
| 615 | S | A | -1.1558 | |
| 616 | G | A | -1.7889 | |
| 617 | H | A | -2.2573 | |
| 618 | H | A | -2.5503 | |
| 619 | H | A | -2.7440 | |
| 620 | H | A | -2.6850 | |
| 621 | H | A | -2.3790 | |
| 622 | H | A | -1.8880 |
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 | -0.0703 | 5.9505 | View | CSV | PDB |
| 4.5 | -0.1464 | 5.9021 | View | CSV | PDB |
| 5.0 | -0.2447 | 5.8496 | View | CSV | PDB |
| 5.5 | -0.3461 | 5.7957 | View | CSV | PDB |
| 6.0 | -0.4327 | 5.7413 | View | CSV | PDB |
| 6.5 | -0.4965 | 5.687 | View | CSV | PDB |
| 7.0 | -0.5385 | 5.633 | View | CSV | PDB |
| 7.5 | -0.565 | 5.5803 | View | CSV | PDB |
| 8.0 | -0.582 | 5.7763 | View | CSV | PDB |
| 8.5 | -0.5914 | 6.0137 | View | CSV | PDB |
| 9.0 | -0.5913 | 6.2413 | 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