| Chain sequence(s) |
A: MASTKAPGPGEKHHSIDAQLRQLVPGKVSEDDKLIEYDALLVDRFLNILQDLHGPSLREFVQECYEVSADYEGKGDTTKLGELGAKLTGLAPADAILVASSILHMLNLANLAEEVQIAHRRRNSKLKKGGFADEGSATTESDIEETLKRLVSEVGKSPEEVFEALKNQTVDLVFTAHPTQSARRSLLQKNARIRNCLTQLNAKDITDDDKQELDEALQREIQAAFRTDEIRRAQPTPQAEMRYGMSYIHETVWKGVPKFLRRVDTALKNIGINERLPYNVSLIRFSSWMGGDRDGNPRVTPEVTRDVCLLARMMAANLYIDQIEELMFELSMWRCNDELRVRAEELHSSSGSKVTKYYIEFWKQIPPNEPYRVILGHVRDKLYNTRERARHLLASGVSEISAESSFTSIEEFLEPLELCYKSLCDCGDKAIADGSLLDLLRQVFTFGLSLVKLDIRQESERHTDVIDAITTHLGIGSYREWPEDKRQEWLLSELRGKRPLLPPDLPQTDEIADVIGAFHVLAELPPDSFGPYIISMATAPSDVLAVELLQRECGVRQPLPVVPLFERLADLQSAPASVERLFSVDWYMDRIKGKQQVMVGYSDSGKDAGRLSAAWQLYRAQEEMAQVAKRYGVKLTLFHGRGGTVGRGGGPTHLAILSQPPDTINGSIRVTVQGEVIEFCFGEEHLCFQTLQRFTAATLEHGMHPPVSPKPEWRKLMDEMAVVATEEYRSVVVKEARFVEYFRSATPETEYGRMNIGSRPAKRRPGGGITTLRAIPWIFSWTQTRFHLPVWLGVGAAFKFAIDKDVRNFQVLKEMYNEWPFFRVTLDLLEMVFAKGDPGIAGLYDELLVAEELKPFGKQLRDKYVETQQLLLQIAGHKDILEGDPFLKQGLVLRNPYITTLNVFQAYTLKRIRDPNFKVTPQPPLSKEFADENKPAGLVKLNPASEYPPGLEDTLILTMKGIAAGMQNTG
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1970fa25aa032a6/tmp/folded.pdb (00:17:12)
[INFO] Main: Simulation completed successfully. (00:21:51)
|
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 | M | A | 1.0218 | |
| 2 | A | A | 0.2451 | |
| 3 | S | A | -0.4300 | |
| 4 | T | A | -0.8812 | |
| 5 | K | A | -1.8855 | |
| 6 | A | A | -1.0766 | |
| 7 | P | A | -1.0192 | |
| 8 | G | A | -1.2697 | |
| 9 | P | A | -1.4450 | |
| 10 | G | A | -2.1551 | |
| 11 | E | A | -3.1975 | |
| 12 | K | A | -3.1704 | |
| 13 | H | A | -2.5033 | |
| 14 | H | A | -1.9248 | |
| 15 | S | A | -1.0516 | |
| 16 | I | A | 0.0000 | |
| 17 | D | A | -0.9921 | |
| 18 | A | A | -0.9043 | |
| 19 | Q | A | -1.2062 | |
| 20 | L | A | 0.0000 | |
| 21 | R | A | -1.8720 | |
| 22 | Q | A | -2.0385 | |
| 23 | L | A | -1.2883 | |
| 24 | V | A | -1.0414 | |
| 25 | P | A | -1.3290 | |
| 26 | G | A | -1.5480 | |
| 27 | K | A | -2.4856 | |
| 28 | V | A | -1.1860 | |
| 29 | S | A | -2.1951 | |
| 30 | E | A | -2.7853 | |
| 31 | D | A | -2.3525 | |
| 32 | D | A | 0.0000 | |
| 33 | K | A | -1.5296 | |
| 34 | L | A | 0.0000 | |
| 35 | I | A | 0.0000 | |
| 36 | E | A | -0.7053 | |
| 37 | Y | A | -0.2389 | |
| 38 | D | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | L | A | 0.0147 | |
| 41 | L | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | D | A | -0.7283 | |
| 44 | R | A | -1.1673 | |
| 45 | F | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | N | A | -1.5394 | |
| 48 | I | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | Q | A | -1.8561 | |
| 51 | D | A | -2.0142 | |
| 52 | L | A | -1.2542 | |
| 53 | H | A | 0.0000 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | -1.2960 | |
| 56 | S | A | -0.8604 | |
| 57 | L | A | 0.0000 | |
| 58 | R | A | 0.0000 | |
| 59 | E | A | -1.6530 | |
| 60 | F | A | -1.1019 | |
| 61 | V | A | 0.0000 | |
| 62 | Q | A | 0.0000 | |
| 63 | E | A | -2.1417 | |
| 64 | C | A | 0.0000 | |
| 65 | Y | A | 0.0000 | |
| 66 | E | A | -1.3300 | |
| 67 | V | A | -1.4184 | |
| 68 | S | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | D | A | -2.6427 | |
| 71 | Y | A | 0.0000 | |
| 72 | E | A | -2.1672 | |
| 73 | G | A | -2.4246 | |
| 74 | K | A | -3.0484 | |
| 75 | G | A | -2.4667 | |
| 76 | D | A | -2.4701 | |
| 77 | T | A | -1.4936 | |
| 78 | T | A | -1.2570 | |
| 79 | K | A | -2.0270 | |
| 80 | L | A | 0.0000 | |
| 81 | G | A | -1.4104 | |
| 82 | E | A | -2.2005 | |
| 83 | L | A | 0.0000 | |
| 84 | G | A | 0.0000 | |
| 85 | A | A | -0.8718 | |
| 86 | K | A | -1.3187 | |
| 87 | L | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | A | A | -0.3117 | |
| 92 | P | A | -0.2950 | |
| 93 | A | A | -0.2780 | |
| 94 | D | A | 0.0000 | |
| 95 | A | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | L | A | 0.1925 | |
| 98 | V | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | S | A | 0.0000 | |
| 102 | I | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | H | A | -0.3517 | |
| 105 | M | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | N | A | -0.6507 | |
| 108 | L | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | N | A | -0.3701 | |
| 111 | L | A | 0.0000 | |
| 112 | A | A | 0.0000 | |
| 113 | E | A | 0.0000 | |
| 114 | E | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | Q | A | 0.0000 | |
| 117 | I | A | -0.3689 | |
| 118 | A | A | 0.0000 | |
| 119 | H | A | -1.3991 | |
| 120 | R | A | -2.2334 | |
| 121 | R | A | -3.3491 | |
| 122 | R | A | -2.9495 | |
| 123 | N | A | -2.8633 | |
| 124 | S | A | -2.2562 | |
| 125 | K | A | -2.4449 | |
| 126 | L | A | -1.3779 | |
| 127 | K | A | -2.0285 | |
| 128 | K | A | -2.3570 | |
| 129 | G | A | -1.4699 | |
| 130 | G | A | -1.0736 | |
| 131 | F | A | -0.3295 | |
| 132 | A | A | -0.8279 | |
| 133 | D | A | 0.0000 | |
| 134 | E | A | 0.0000 | |
| 135 | G | A | -0.2057 | |
| 136 | S | A | -0.1246 | |
| 137 | A | A | -0.1489 | |
| 138 | T | A | -0.8223 | |
| 139 | T | A | 0.0000 | |
| 140 | E | A | 0.0000 | |
| 141 | S | A | 0.0000 | |
| 142 | D | A | -0.6739 | |
| 143 | I | A | 0.0000 | |
| 144 | E | A | -1.4026 | |
| 145 | E | A | -1.3093 | |
| 146 | T | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.6774 | |
| 149 | R | A | -1.6372 | |
| 150 | L | A | 0.0000 | |
| 151 | V | A | -1.2531 | |
| 152 | S | A | -1.3348 | |
| 153 | E | A | -2.0538 | |
| 154 | V | A | -1.0073 | |
| 155 | G | A | -1.0577 | |
| 156 | K | A | -1.5953 | |
| 157 | S | A | -1.6331 | |
| 158 | P | A | -2.1216 | |
| 159 | E | A | -3.1423 | |
| 160 | E | A | -3.3353 | |
| 161 | V | A | 0.0000 | |
| 162 | F | A | -2.5064 | |
| 163 | E | A | -3.3747 | |
| 164 | A | A | -2.3446 | |
| 165 | L | A | 0.0000 | |
| 166 | K | A | -2.1320 | |
| 167 | N | A | -2.1024 | |
| 168 | Q | A | 0.0000 | |
| 169 | T | A | -0.6373 | |
| 170 | V | A | 0.0000 | |
| 171 | D | A | -0.4318 | |
| 172 | L | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | T | A | -0.1185 | |
| 176 | A | A | -0.1710 | |
| 177 | H | A | -0.3543 | |
| 178 | P | A | -0.2618 | |
| 179 | T | A | 0.0000 | |
| 180 | Q | A | -0.4839 | |
| 181 | S | A | -0.6310 | |
| 182 | A | A | -0.5917 | |
| 183 | R | A | -1.0614 | |
| 184 | R | A | -1.2680 | |
| 185 | S | A | -0.7215 | |
| 186 | L | A | -0.7698 | |
| 187 | L | A | 0.0000 | |
| 188 | Q | A | -1.7101 | |
| 189 | K | A | -1.5137 | |
| 190 | N | A | -1.4010 | |
| 191 | A | A | -1.9651 | |
| 192 | R | A | -2.6471 | |
| 193 | I | A | 0.0000 | |
| 194 | R | A | 0.0000 | |
| 195 | N | A | -2.1826 | |
| 196 | C | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | T | A | -1.2459 | |
| 199 | Q | A | -1.8146 | |
| 200 | L | A | 0.0000 | |
| 201 | N | A | -1.4856 | |
| 202 | A | A | -1.8004 | |
| 203 | K | A | -2.6623 | |
| 204 | D | A | -2.6987 | |
| 205 | I | A | -2.5367 | |
| 206 | T | A | -3.1239 | |
| 207 | D | A | -4.1914 | |
| 208 | D | A | -4.5955 | |
| 209 | D | A | -4.5977 | |
| 210 | K | A | -4.3839 | |
| 211 | Q | A | -4.4102 | |
| 212 | E | A | -4.2479 | |
| 213 | L | A | -3.2001 | |
| 214 | D | A | -2.7041 | |
| 215 | E | A | -2.8792 | |
| 216 | A | A | -2.3165 | |
| 217 | L | A | 0.0000 | |
| 218 | Q | A | -2.0173 | |
| 219 | R | A | -2.6142 | |
| 220 | E | A | -2.2262 | |
| 221 | I | A | 0.0000 | |
| 222 | Q | A | -1.8252 | |
| 223 | A | A | -1.4132 | |
| 224 | A | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | R | A | -1.6134 | |
| 227 | T | A | -0.9518 | |
| 228 | D | A | -0.9266 | |
| 229 | E | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | R | A | -0.9529 | |
| 232 | R | A | -1.0704 | |
| 233 | A | A | -0.8476 | |
| 234 | Q | A | -0.5847 | |
| 235 | P | A | -0.5454 | |
| 236 | T | A | -0.6955 | |
| 237 | P | A | -0.8418 | |
| 238 | Q | A | -0.8122 | |
| 239 | A | A | -0.7972 | |
| 240 | E | A | 0.0000 | |
| 241 | M | A | 0.0000 | |
| 242 | R | A | -1.7388 | |
| 243 | Y | A | -0.9979 | |
| 244 | G | A | -0.6719 | |
| 245 | M | A | 0.0000 | |
| 246 | S | A | 0.0000 | |
| 247 | Y | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | H | A | -0.4929 | |
| 250 | E | A | -1.1519 | |
| 251 | T | A | 0.0000 | |
| 252 | V | A | 0.0000 | |
| 253 | W | A | 0.0000 | |
| 254 | K | A | -1.3035 | |
| 255 | G | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | P | A | 0.0000 | |
| 258 | K | A | -1.7223 | |
| 259 | F | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | R | A | -1.5122 | |
| 262 | R | A | -1.5232 | |
| 263 | V | A | 0.0000 | |
| 264 | D | A | 0.0000 | |
| 265 | T | A | -1.6576 | |
| 266 | A | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | K | A | -3.0826 | |
| 269 | N | A | -1.7462 | |
| 270 | I | A | -1.3477 | |
| 271 | G | A | -1.8712 | |
| 272 | I | A | -2.4191 | |
| 273 | N | A | -3.0089 | |
| 274 | E | A | -3.2290 | |
| 275 | R | A | -2.3946 | |
| 276 | L | A | 0.0000 | |
| 277 | P | A | -0.9651 | |
| 278 | Y | A | -0.5364 | |
| 279 | N | A | -1.0766 | |
| 280 | V | A | -0.7252 | |
| 281 | S | A | -0.5537 | |
| 282 | L | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | R | A | -0.5409 | |
| 285 | F | A | 0.0000 | |
| 286 | S | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | W | A | 0.0000 | |
| 289 | M | A | 0.0000 | |
| 290 | G | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | D | A | 0.0000 | |
| 293 | R | A | 0.0000 | |
| 294 | D | A | 0.0000 | |
| 295 | G | A | -1.1145 | |
| 296 | N | A | 0.0000 | |
| 297 | P | A | -1.6995 | |
| 298 | R | A | -2.1236 | |
| 299 | V | A | 0.0000 | |
| 300 | T | A | -1.4091 | |
| 301 | P | A | -1.3950 | |
| 302 | E | A | -2.0326 | |
| 303 | V | A | 0.0000 | |
| 304 | T | A | 0.0000 | |
| 305 | R | A | -1.3211 | |
| 306 | D | A | -1.0221 | |
| 307 | V | A | 0.0000 | |
| 308 | C | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | R | A | 0.0000 | |
| 313 | M | A | -0.3928 | |
| 314 | M | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | N | A | -0.9680 | |
| 318 | L | A | -0.7549 | |
| 319 | Y | A | 0.0000 | |
| 320 | I | A | 0.0000 | |
| 321 | D | A | -2.4801 | |
| 322 | Q | A | -1.7772 | |
| 323 | I | A | 0.0000 | |
| 324 | E | A | -1.9700 | |
| 325 | E | A | -2.5439 | |
| 326 | L | A | 0.0000 | |
| 327 | M | A | 0.0000 | |
| 328 | F | A | -0.8638 | |
| 329 | E | A | -1.8166 | |
| 330 | L | A | 0.0000 | |
| 331 | S | A | -0.5151 | |
| 332 | M | A | -0.1645 | |
| 333 | W | A | 0.1062 | |
| 334 | R | A | -1.1863 | |
| 335 | C | A | -1.5931 | |
| 336 | N | A | -2.4001 | |
| 337 | D | A | -2.9597 | |
| 338 | E | A | -2.7411 | |
| 339 | L | A | 0.0000 | |
| 340 | R | A | -2.3488 | |
| 341 | V | A | -0.9973 | |
| 342 | R | A | -1.7726 | |
| 343 | A | A | 0.0000 | |
| 344 | E | A | -2.6519 | |
| 345 | E | A | -2.5697 | |
| 346 | L | A | -1.4833 | |
| 347 | H | A | -1.5967 | |
| 348 | S | A | -1.6907 | |
| 349 | S | A | -1.5579 | |
| 350 | S | A | -1.2924 | |
| 351 | G | A | -0.9344 | |
| 352 | S | A | -0.9835 | |
| 353 | K | A | -1.2416 | |
| 354 | V | A | 0.7572 | |
| 355 | T | A | 0.0134 | |
| 356 | K | A | 0.1386 | |
| 357 | Y | A | 1.2996 | |
| 358 | Y | A | 0.8600 | |
| 359 | I | A | 1.5851 | |
| 360 | E | A | -0.3077 | |
| 361 | F | A | 0.2379 | |
| 362 | W | A | 0.7313 | |
| 363 | K | A | -0.8868 | |
| 364 | Q | A | -0.6182 | |
| 365 | I | A | 0.0000 | |
| 366 | P | A | -1.0095 | |
| 367 | P | A | -1.3297 | |
| 368 | N | A | -1.5951 | |
| 369 | E | A | -0.8366 | |
| 370 | P | A | 0.0000 | |
| 371 | Y | A | 0.0000 | |
| 372 | R | A | -0.5152 | |
| 373 | V | A | 0.0000 | |
| 374 | I | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | G | A | 0.0000 | |
| 377 | H | A | -0.6439 | |
| 378 | V | A | 0.0000 | |
| 379 | R | A | 0.0000 | |
| 380 | D | A | -0.5356 | |
| 381 | K | A | -0.7362 | |
| 382 | L | A | 0.0000 | |
| 383 | Y | A | -0.4844 | |
| 384 | N | A | -0.8405 | |
| 385 | T | A | 0.0000 | |
| 386 | R | A | -1.0510 | |
| 387 | E | A | -1.1871 | |
| 388 | R | A | -1.0305 | |
| 389 | A | A | 0.0000 | |
| 390 | R | A | -1.1814 | |
| 391 | H | A | -0.7142 | |
| 392 | L | A | 0.0214 | |
| 393 | L | A | -0.2018 | |
| 394 | A | A | -0.0388 | |
| 395 | S | A | 0.1752 | |
| 396 | G | A | 0.4049 | |
| 397 | V | A | 1.0865 | |
| 398 | S | A | -0.3858 | |
| 399 | E | A | -1.4641 | |
| 400 | I | A | -0.9374 | |
| 401 | S | A | -1.2027 | |
| 402 | A | A | -1.2321 | |
| 403 | E | A | -1.8952 | |
| 404 | S | A | -1.0807 | |
| 405 | S | A | 0.0000 | |
| 406 | F | A | 0.0000 | |
| 407 | T | A | -0.7576 | |
| 408 | S | A | -0.7931 | |
| 409 | I | A | -0.9364 | |
| 410 | E | A | -2.2825 | |
| 411 | E | A | -1.7289 | |
| 412 | F | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | E | A | -1.8313 | |
| 415 | P | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | E | A | -1.3752 | |
| 418 | L | A | 0.0000 | |
| 419 | C | A | 0.0000 | |
| 420 | Y | A | -1.2489 | |
| 421 | K | A | -2.5256 | |
| 422 | S | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | C | A | -1.7290 | |
| 425 | D | A | -2.7285 | |
| 426 | C | A | -1.5497 | |
| 427 | G | A | -1.2648 | |
| 428 | D | A | -1.1517 | |
| 429 | K | A | -1.5049 | |
| 430 | A | A | -0.2359 | |
| 431 | I | A | 0.1392 | |
| 432 | A | A | 0.0000 | |
| 433 | D | A | 0.0000 | |
| 434 | G | A | -0.3451 | |
| 435 | S | A | -0.5953 | |
| 436 | L | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | D | A | -0.6554 | |
| 439 | L | A | 0.0000 | |
| 440 | L | A | 0.0000 | |
| 441 | R | A | 0.0000 | |
| 442 | Q | A | 0.0000 | |
| 443 | V | A | 0.0000 | |
| 444 | F | A | -0.1669 | |
| 445 | T | A | 0.0000 | |
| 446 | F | A | 0.0000 | |
| 447 | G | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | S | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | V | A | 0.0000 | |
| 452 | K | A | -0.6765 | |
| 453 | L | A | 0.0000 | |
| 454 | D | A | 0.0000 | |
| 455 | I | A | 0.0000 | |
| 456 | R | A | 0.0000 | |
| 457 | Q | A | 0.0000 | |
| 458 | E | A | -0.8480 | |
| 459 | S | A | 0.0000 | |
| 460 | E | A | -2.2601 | |
| 461 | R | A | -1.5994 | |
| 462 | H | A | 0.0000 | |
| 463 | T | A | 0.0000 | |
| 464 | D | A | -1.5414 | |
| 465 | V | A | 0.0000 | |
| 466 | I | A | 0.0000 | |
| 467 | D | A | 0.0000 | |
| 468 | A | A | -0.5981 | |
| 469 | I | A | 0.0000 | |
| 470 | T | A | 0.0000 | |
| 471 | T | A | -0.0907 | |
| 472 | H | A | -0.3370 | |
| 473 | L | A | 0.7690 | |
| 474 | G | A | 0.2757 | |
| 475 | I | A | 1.0119 | |
| 476 | G | A | -0.1808 | |
| 477 | S | A | -1.0017 | |
| 478 | Y | A | 0.0000 | |
| 479 | R | A | -2.6930 | |
| 480 | E | A | -2.6962 | |
| 481 | W | A | -2.0534 | |
| 482 | P | A | -1.9902 | |
| 483 | E | A | -2.5251 | |
| 484 | D | A | -3.1059 | |
| 485 | K | A | -2.8877 | |
| 486 | R | A | -2.4371 | |
| 487 | Q | A | 0.0000 | |
| 488 | E | A | -2.7559 | |
| 489 | W | A | 0.0000 | |
| 490 | L | A | 0.0000 | |
| 491 | L | A | -1.2816 | |
| 492 | S | A | -1.3976 | |
| 493 | E | A | 0.0000 | |
| 494 | L | A | 0.0000 | |
| 495 | R | A | -2.4040 | |
| 496 | G | A | -2.4134 | |
| 497 | K | A | -3.1365 | |
| 498 | R | A | -3.0331 | |
| 499 | P | A | -1.6385 | |
| 500 | L | A | 0.0000 | |
| 501 | L | A | -0.3438 | |
| 502 | P | A | -0.6476 | |
| 503 | P | A | -1.0914 | |
| 504 | D | A | -2.1375 | |
| 505 | L | A | 0.0000 | |
| 506 | P | A | -1.3105 | |
| 507 | Q | A | -2.1173 | |
| 508 | T | A | -1.9783 | |
| 509 | D | A | -2.7915 | |
| 510 | E | A | -2.6130 | |
| 511 | I | A | 0.0000 | |
| 512 | A | A | -1.5584 | |
| 513 | D | A | -1.7179 | |
| 514 | V | A | 0.0000 | |
| 515 | I | A | 0.0000 | |
| 516 | G | A | -0.7468 | |
| 517 | A | A | 0.0000 | |
| 518 | F | A | 0.0000 | |
| 519 | H | A | -1.0514 | |
| 520 | V | A | -1.1364 | |
| 521 | L | A | 0.0000 | |
| 522 | A | A | -1.8296 | |
| 523 | E | A | -2.1683 | |
| 524 | L | A | -0.9677 | |
| 525 | P | A | -0.7921 | |
| 526 | P | A | -1.2524 | |
| 527 | D | A | -0.5761 | |
| 528 | S | A | 0.0000 | |
| 529 | F | A | 0.0000 | |
| 530 | G | A | -0.3411 | |
| 531 | P | A | 0.0000 | |
| 532 | Y | A | 0.0000 | |
| 533 | I | A | 0.0000 | |
| 534 | I | A | 0.0000 | |
| 535 | S | A | 0.0000 | |
| 536 | M | A | -0.4016 | |
| 537 | A | A | 0.0000 | |
| 538 | T | A | -0.2437 | |
| 539 | A | A | -0.4484 | |
| 540 | P | A | 0.0000 | |
| 541 | S | A | 0.0000 | |
| 542 | D | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | L | A | 0.0000 | |
| 545 | A | A | 0.0000 | |
| 546 | V | A | 0.0000 | |
| 547 | E | A | 0.0000 | |
| 548 | L | A | 0.0000 | |
| 549 | L | A | 0.0000 | |
| 550 | Q | A | 0.0000 | |
| 551 | R | A | -1.3846 | |
| 552 | E | A | -1.0836 | |
| 553 | C | A | 0.0000 | |
| 554 | G | A | -1.6293 | |
| 555 | V | A | 0.0000 | |
| 556 | R | A | -2.9238 | |
| 557 | Q | A | -2.3226 | |
| 558 | P | A | -1.4428 | |
| 559 | L | A | 0.0000 | |
| 560 | P | A | -0.4172 | |
| 561 | V | A | 0.0000 | |
| 562 | V | A | 0.0000 | |
| 563 | P | A | 0.0000 | |
| 564 | L | A | 0.0000 | |
| 565 | F | A | 0.0000 | |
| 566 | E | A | 0.0000 | |
| 567 | R | A | -1.1890 | |
| 568 | L | A | -0.6888 | |
| 569 | A | A | -0.6536 | |
| 570 | D | A | 0.0000 | |
| 571 | L | A | 0.0000 | |
| 572 | Q | A | -1.5422 | |
| 573 | S | A | -0.6068 | |
| 574 | A | A | 0.0000 | |
| 575 | P | A | 0.0000 | |
| 576 | A | A | -1.0652 | |
| 577 | S | A | 0.0000 | |
| 578 | V | A | 0.0000 | |
| 579 | E | A | -1.9817 | |
| 580 | R | A | -1.8830 | |
| 581 | L | A | 0.0000 | |
| 582 | F | A | 0.0000 | |
| 583 | S | A | -1.2754 | |
| 584 | V | A | 0.0000 | |
| 585 | D | A | -2.1487 | |
| 586 | W | A | -1.5839 | |
| 587 | Y | A | 0.0000 | |
| 588 | M | A | -1.8201 | |
| 589 | D | A | -2.7175 | |
| 590 | R | A | -1.8225 | |
| 591 | I | A | -1.5059 | |
| 592 | K | A | -2.6516 | |
| 593 | G | A | -1.9901 | |
| 594 | K | A | -1.9173 | |
| 595 | Q | A | 0.0000 | |
| 596 | Q | A | 0.0000 | |
| 597 | V | A | 0.0000 | |
| 598 | M | A | 0.0000 | |
| 599 | V | A | 0.0000 | |
| 600 | G | A | 0.0000 | |
| 601 | Y | A | -0.1701 | |
| 602 | S | A | 0.0000 | |
| 603 | D | A | -0.5798 | |
| 604 | S | A | 0.0000 | |
| 605 | G | A | 0.0000 | |
| 606 | K | A | -0.6183 | |
| 607 | D | A | -0.6536 | |
| 608 | A | A | 0.0000 | |
| 609 | G | A | 0.0000 | |
| 610 | R | A | 0.0000 | |
| 611 | L | A | 0.0000 | |
| 612 | S | A | 0.0000 | |
| 613 | A | A | 0.0000 | |
| 614 | A | A | -0.0041 | |
| 615 | W | A | 0.0000 | |
| 616 | Q | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | Y | A | 0.0000 | |
| 619 | R | A | -1.3394 | |
| 620 | A | A | 0.0000 | |
| 621 | Q | A | 0.0000 | |
| 622 | E | A | -1.9786 | |
| 623 | E | A | -2.6501 | |
| 624 | M | A | 0.0000 | |
| 625 | A | A | 0.0000 | |
| 626 | Q | A | -3.1531 | |
| 627 | V | A | -2.4354 | |
| 628 | A | A | 0.0000 | |
| 629 | K | A | -3.5266 | |
| 630 | R | A | -3.0290 | |
| 631 | Y | A | -1.7885 | |
| 632 | G | A | -1.9748 | |
| 633 | V | A | 0.0000 | |
| 634 | K | A | -2.1699 | |
| 635 | L | A | 0.0000 | |
| 636 | T | A | 0.0000 | |
| 637 | L | A | 0.0000 | |
| 638 | F | A | 0.0000 | |
| 639 | H | A | 0.0000 | |
| 640 | G | A | 0.0000 | |
| 641 | R | A | -0.2398 | |
| 642 | G | A | 0.0000 | |
| 643 | G | A | 0.0000 | |
| 644 | T | A | -0.1048 | |
| 645 | V | A | 0.0000 | |
| 646 | G | A | -0.1412 | |
| 647 | R | A | 0.0000 | |
| 648 | G | A | 0.0000 | |
| 649 | G | A | -0.0281 | |
| 650 | G | A | 0.0000 | |
| 651 | P | A | -0.1989 | |
| 652 | T | A | 0.0000 | |
| 653 | H | A | 0.0000 | |
| 654 | L | A | 0.0000 | |
| 655 | A | A | 0.0000 | |
| 656 | I | A | 0.0000 | |
| 657 | L | A | 0.0195 | |
| 658 | S | A | 0.0000 | |
| 659 | Q | A | 0.0000 | |
| 660 | P | A | 0.0000 | |
| 661 | P | A | -0.8622 | |
| 662 | D | A | -2.1684 | |
| 663 | T | A | 0.0000 | |
| 664 | I | A | 0.0000 | |
| 665 | N | A | -1.6704 | |
| 666 | G | A | -1.2099 | |
| 667 | S | A | -0.7322 | |
| 668 | I | A | 0.0000 | |
| 669 | R | A | 0.0000 | |
| 670 | V | A | 0.0000 | |
| 671 | T | A | 0.0000 | |
| 672 | V | A | 0.0000 | |
| 673 | Q | A | 0.0000 | |
| 674 | G | A | 0.0000 | |
| 675 | E | A | -0.3906 | |
| 676 | V | A | 0.0000 | |
| 677 | I | A | 0.0000 | |
| 678 | E | A | -0.2448 | |
| 679 | F | A | 0.0517 | |
| 680 | C | A | 0.0000 | |
| 681 | F | A | 0.0000 | |
| 682 | G | A | -0.8440 | |
| 683 | E | A | -1.3117 | |
| 684 | E | A | -2.3939 | |
| 685 | H | A | -1.6853 | |
| 686 | L | A | 0.0000 | |
| 687 | C | A | 0.0000 | |
| 688 | F | A | -0.9352 | |
| 689 | Q | A | -0.5347 | |
| 690 | T | A | 0.0000 | |
| 691 | L | A | 0.0000 | |
| 692 | Q | A | -0.2631 | |
| 693 | R | A | 0.0000 | |
| 694 | F | A | 0.0000 | |
| 695 | T | A | 0.0000 | |
| 696 | A | A | 0.0000 | |
| 697 | A | A | 0.0000 | |
| 698 | T | A | 0.0000 | |
| 699 | L | A | 0.0000 | |
| 700 | E | A | 0.0000 | |
| 701 | H | A | 0.0000 | |
| 702 | G | A | -1.1654 | |
| 703 | M | A | -0.9754 | |
| 704 | H | A | -0.7272 | |
| 705 | P | A | -0.4803 | |
| 706 | P | A | 0.2230 | |
| 707 | V | A | 0.9729 | |
| 708 | S | A | 0.1967 | |
| 709 | P | A | 0.0000 | |
| 710 | K | A | -1.6948 | |
| 711 | P | A | -1.8338 | |
| 712 | E | A | -2.1143 | |
| 713 | W | A | 0.0000 | |
| 714 | R | A | -2.3883 | |
| 715 | K | A | -3.0134 | |
| 716 | L | A | 0.0000 | |
| 717 | M | A | 0.0000 | |
| 718 | D | A | -1.7371 | |
| 719 | E | A | -1.1952 | |
| 720 | M | A | 0.0000 | |
| 721 | A | A | 0.0927 | |
| 722 | V | A | 0.9117 | |
| 723 | V | A | 0.1420 | |
| 724 | A | A | 0.0000 | |
| 725 | T | A | -0.4635 | |
| 726 | E | A | -1.6160 | |
| 727 | E | A | -1.0535 | |
| 728 | Y | A | 0.0000 | |
| 729 | R | A | -1.3598 | |
| 730 | S | A | -1.3665 | |
| 731 | V | A | 0.0000 | |
| 732 | V | A | 0.0000 | |
| 733 | V | A | -0.0815 | |
| 734 | K | A | -1.7954 | |
| 735 | E | A | -1.2535 | |
| 736 | A | A | -1.2130 | |
| 737 | R | A | -2.0284 | |
| 738 | F | A | 0.0000 | |
| 739 | V | A | -0.8186 | |
| 740 | E | A | -2.3255 | |
| 741 | Y | A | 0.0000 | |
| 742 | F | A | 0.0000 | |
| 743 | R | A | -1.3958 | |
| 744 | S | A | -0.8917 | |
| 745 | A | A | 0.0000 | |
| 746 | T | A | 0.0000 | |
| 747 | P | A | 0.0000 | |
| 748 | E | A | 0.0000 | |
| 749 | T | A | -0.8952 | |
| 750 | E | A | 0.0000 | |
| 751 | Y | A | 0.0000 | |
| 752 | G | A | -1.6156 | |
| 753 | R | A | -2.1902 | |
| 754 | M | A | 0.0000 | |
| 755 | N | A | -1.0874 | |
| 756 | I | A | 0.0000 | |
| 757 | G | A | -0.7496 | |
| 758 | S | A | -0.9250 | |
| 759 | R | A | -1.2293 | |
| 760 | P | A | -1.5591 | |
| 761 | A | A | -1.1944 | |
| 762 | K | A | -1.7750 | |
| 763 | R | A | -2.0949 | |
| 764 | R | A | -2.6904 | |
| 765 | P | A | -1.7110 | |
| 766 | G | A | -1.3305 | |
| 767 | G | A | -1.2405 | |
| 768 | G | A | -0.5447 | |
| 769 | I | A | 0.0000 | |
| 770 | T | A | -0.4572 | |
| 771 | T | A | -1.2036 | |
| 772 | L | A | 0.0000 | |
| 773 | R | A | 0.0000 | |
| 774 | A | A | 0.0000 | |
| 775 | I | A | 0.2658 | |
| 776 | P | A | 0.0000 | |
| 777 | W | A | 0.0000 | |
| 778 | I | A | 0.0000 | |
| 779 | F | A | 0.0000 | |
| 780 | S | A | 0.0000 | |
| 781 | W | A | 0.0000 | |
| 782 | T | A | 0.0000 | |
| 783 | Q | A | 0.0000 | |
| 784 | T | A | 0.0000 | |
| 785 | R | A | 0.0000 | |
| 786 | F | A | 0.0000 | |
| 787 | H | A | 0.0000 | |
| 788 | L | A | 0.0000 | |
| 789 | P | A | 0.0000 | |
| 790 | V | A | 0.0000 | |
| 791 | W | A | 0.0000 | |
| 792 | L | A | 0.0000 | |
| 793 | G | A | 0.0000 | |
| 794 | V | A | 0.0000 | |
| 795 | G | A | 0.0000 | |
| 796 | A | A | -0.5559 | |
| 797 | A | A | 0.0000 | |
| 798 | F | A | 0.0000 | |
| 799 | K | A | -1.3459 | |
| 800 | F | A | -0.8981 | |
| 801 | A | A | 0.0000 | |
| 802 | I | A | -1.1736 | |
| 803 | D | A | -2.3553 | |
| 804 | K | A | -2.4494 | |
| 805 | D | A | -1.3450 | |
| 806 | V | A | -0.1778 | |
| 807 | R | A | -1.7572 | |
| 808 | N | A | -1.3494 | |
| 809 | F | A | -1.1266 | |
| 810 | Q | A | -1.5469 | |
| 811 | V | A | -1.0984 | |
| 812 | L | A | 0.0000 | |
| 813 | K | A | -1.9466 | |
| 814 | E | A | -2.1603 | |
| 815 | M | A | 0.0000 | |
| 816 | Y | A | 0.0000 | |
| 817 | N | A | -2.5446 | |
| 818 | E | A | -2.4581 | |
| 819 | W | A | 0.0000 | |
| 820 | P | A | 0.0000 | |
| 821 | F | A | 0.0000 | |
| 822 | F | A | 0.0000 | |
| 823 | R | A | -1.0453 | |
| 824 | V | A | 0.0000 | |
| 825 | T | A | 0.0000 | |
| 826 | L | A | 0.0000 | |
| 827 | D | A | -0.5560 | |
| 828 | L | A | 0.0000 | |
| 829 | L | A | 0.0000 | |
| 830 | E | A | 0.0000 | |
| 831 | M | A | 0.0000 | |
| 832 | V | A | 0.0000 | |
| 833 | F | A | 0.0000 | |
| 834 | A | A | -0.1417 | |
| 835 | K | A | 0.0000 | |
| 836 | G | A | -0.1864 | |
| 837 | D | A | -0.4592 | |
| 838 | P | A | -0.4997 | |
| 839 | G | A | -0.5473 | |
| 840 | I | A | 0.0000 | |
| 841 | A | A | 0.0000 | |
| 842 | G | A | -0.9315 | |
| 843 | L | A | 0.0000 | |
| 844 | Y | A | 0.0000 | |
| 845 | D | A | 0.0000 | |
| 846 | E | A | -2.0057 | |
| 847 | L | A | -0.8364 | |
| 848 | L | A | -0.8240 | |
| 849 | V | A | 0.0000 | |
| 850 | A | A | -1.8919 | |
| 851 | E | A | -3.0229 | |
| 852 | E | A | -2.7774 | |
| 853 | L | A | 0.0000 | |
| 854 | K | A | -2.2217 | |
| 855 | P | A | -1.6953 | |
| 856 | F | A | -1.6157 | |
| 857 | G | A | 0.0000 | |
| 858 | K | A | -2.5118 | |
| 859 | Q | A | -2.4170 | |
| 860 | L | A | 0.0000 | |
| 861 | R | A | -2.0940 | |
| 862 | D | A | -2.7384 | |
| 863 | K | A | -2.0141 | |
| 864 | Y | A | 0.0000 | |
| 865 | V | A | -0.3034 | |
| 866 | E | A | -2.1761 | |
| 867 | T | A | 0.0000 | |
| 868 | Q | A | -0.9417 | |
| 869 | Q | A | -1.9411 | |
| 870 | L | A | 0.0000 | |
| 871 | L | A | 0.0000 | |
| 872 | L | A | 0.0000 | |
| 873 | Q | A | -1.7145 | |
| 874 | I | A | 0.0000 | |
| 875 | A | A | 0.0000 | |
| 876 | G | A | -1.8524 | |
| 877 | H | A | -2.4444 | |
| 878 | K | A | -3.0979 | |
| 879 | D | A | -2.9164 | |
| 880 | I | A | -1.6950 | |
| 881 | L | A | 0.0000 | |
| 882 | E | A | -2.9598 | |
| 883 | G | A | -1.7586 | |
| 884 | D | A | -1.0609 | |
| 885 | P | A | -0.9335 | |
| 886 | F | A | -0.2690 | |
| 887 | L | A | -0.0320 | |
| 888 | K | A | -0.5862 | |
| 889 | Q | A | 0.0000 | |
| 890 | G | A | 0.0000 | |
| 891 | L | A | 0.0000 | |
| 892 | V | A | 0.1413 | |
| 893 | L | A | 0.0000 | |
| 894 | R | A | 0.0000 | |
| 895 | N | A | 0.0000 | |
| 896 | P | A | 0.0000 | |
| 897 | Y | A | 0.0000 | |
| 898 | I | A | 0.0000 | |
| 899 | T | A | 0.0000 | |
| 900 | T | A | 0.0000 | |
| 901 | L | A | 0.0000 | |
| 902 | N | A | 0.0000 | |
| 903 | V | A | 0.0000 | |
| 904 | F | A | 0.0000 | |
| 905 | Q | A | 0.0000 | |
| 906 | A | A | 0.0000 | |
| 907 | Y | A | 0.0457 | |
| 908 | T | A | 0.0000 | |
| 909 | L | A | 0.0000 | |
| 910 | K | A | -0.6488 | |
| 911 | R | A | -0.8247 | |
| 912 | I | A | -0.4991 | |
| 913 | R | A | -1.0494 | |
| 914 | D | A | -1.5530 | |
| 915 | P | A | -1.4315 | |
| 916 | N | A | -1.8618 | |
| 917 | F | A | -1.1950 | |
| 918 | K | A | -1.6912 | |
| 919 | V | A | -0.4413 | |
| 920 | T | A | -0.3785 | |
| 921 | P | A | -0.6437 | |
| 922 | Q | A | -0.7797 | |
| 923 | P | A | -0.6193 | |
| 924 | P | A | -0.8372 | |
| 925 | L | A | -0.6884 | |
| 926 | S | A | -0.9733 | |
| 927 | K | A | -1.8964 | |
| 928 | E | A | -1.5111 | |
| 929 | F | A | -1.2526 | |
| 930 | A | A | -1.5935 | |
| 931 | D | A | -2.9089 | |
| 932 | E | A | -3.6759 | |
| 933 | N | A | -3.2718 | |
| 934 | K | A | -3.0285 | |
| 935 | P | A | -1.8146 | |
| 936 | A | A | -1.5590 | |
| 937 | G | A | -1.8010 | |
| 938 | L | A | -0.9323 | |
| 939 | V | A | -0.8560 | |
| 940 | K | A | -1.6542 | |
| 941 | L | A | 0.0000 | |
| 942 | N | A | -1.1239 | |
| 943 | P | A | -0.9392 | |
| 944 | A | A | -0.7301 | |
| 945 | S | A | -1.2169 | |
| 946 | E | A | -1.9004 | |
| 947 | Y | A | -0.8654 | |
| 948 | P | A | -0.6238 | |
| 949 | P | A | -0.7102 | |
| 950 | G | A | 0.0000 | |
| 951 | L | A | 0.1397 | |
| 952 | E | A | 0.0000 | |
| 953 | D | A | 0.0000 | |
| 954 | T | A | 0.0000 | |
| 955 | L | A | 0.0000 | |
| 956 | I | A | 0.0000 | |
| 957 | L | A | 0.0000 | |
| 958 | T | A | 0.0000 | |
| 959 | M | A | 0.0000 | |
| 960 | K | A | 0.0000 | |
| 961 | G | A | 0.0000 | |
| 962 | I | A | 0.0000 | |
| 963 | A | A | 0.0000 | |
| 964 | A | A | -0.2653 | |
| 965 | G | A | 0.0000 | |
| 966 | M | A | 0.0000 | |
| 967 | Q | A | -0.2652 | |
| 968 | N | A | -0.3107 | |
| 969 | T | A | 0.0000 | |
| 970 | G | A | 0.0000 |
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 | -0.5968 | 3.3513 | View | CSV | PDB |
| 4.5 | -0.6591 | 3.2442 | View | CSV | PDB |
| 5.0 | -0.7364 | 3.1777 | View | CSV | PDB |
| 5.5 | -0.8154 | 3.1163 | View | CSV | PDB |
| 6.0 | -0.8817 | 3.0628 | View | CSV | PDB |
| 6.5 | -0.9239 | 3.032 | View | CSV | PDB |
| 7.0 | -0.9386 | 3.0316 | View | CSV | PDB |
| 7.5 | -0.9331 | 3.0557 | View | CSV | PDB |
| 8.0 | -0.916 | 3.0924 | View | CSV | PDB |
| 8.5 | -0.8908 | 3.2874 | View | CSV | PDB |
| 9.0 | -0.8576 | 3.5244 | 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