| Chain sequence(s) |
A: DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKGGGGSGGGGSGGGGSQVQLVQSGAEVKKPGQSLRISCQGSGHSFADYWINWVRQKPGEGLEWMGRVDPSDSHATYSPSFRGHVTFSTDKSISTAYLQWSSLRASDTAMYFCARSYYDSRTGSVSPYYFDYWGQGTLVTVSSGGGGSGGGGSGGGGSQSVLIQPRSVSGSPGQSVTISCTGTSTDVGNYNYVSWYQQHPGTAPRFLIYDVSNRPSGVPDRFSGSKSGNTASLTISGLQADDEADYYACSYAGKSIVVCGGGT
B: DKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGKGGGGSGGGGSGGGGSQVQLVQSGAEVKKPGQSLRISCQGSGHSFADYWINWVRQKPGEGLEWMGRVDPSDSHATYSPSFRGHVTFSTDKSISTAYLQWSSLRASDTAMYFCARSYYDSRTGSVSPYYFDYWGQGTLVTVSSGGGGSGGGGSGGGGSQSVLIQPRSVSGSPGQSVTISCTGTSTDVGNYNYVSWYQQHPGTAPRFLIYDVSNRPSGVPDRFSGSKSGNTASLTISGLQADDEADYYACSYAGKSIVVCGGGT input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:14)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:14)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:14)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:14)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:16)
[INFO] FoldX: Starting FoldX energy minimization (00:00:16)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:08)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/eaea7f89f025967/tmp/folded.pdb (00:11:08)
[INFO] Main: Simulation completed successfully. (00:16:56)
|
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 | D | A | -3.0384 | |
| 2 | K | A | -2.8938 | |
| 3 | T | A | -1.8800 | |
| 4 | H | A | -1.6572 | |
| 5 | T | A | -0.7452 | |
| 6 | C | A | 0.1144 | |
| 7 | P | A | -0.3211 | |
| 8 | P | A | -0.1705 | |
| 9 | C | A | 0.0618 | |
| 10 | P | A | -0.4800 | |
| 11 | A | A | -0.3673 | |
| 12 | P | A | -0.5346 | |
| 13 | E | A | -1.0450 | |
| 14 | L | A | 0.6228 | |
| 15 | L | A | 1.2333 | |
| 16 | G | A | 0.1134 | |
| 17 | G | A | -0.4421 | |
| 18 | P | A | 0.0000 | |
| 19 | S | A | -0.2460 | |
| 20 | V | A | 0.0000 | |
| 21 | F | A | 0.3686 | |
| 22 | L | A | 0.1894 | |
| 23 | F | A | 0.4136 | |
| 24 | P | A | -0.2848 | |
| 25 | P | A | 0.0000 | |
| 26 | K | A | -1.5873 | |
| 27 | P | A | -0.9783 | |
| 28 | K | A | -0.7972 | |
| 29 | D | A | 0.0000 | |
| 30 | T | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | M | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | S | A | 0.0000 | |
| 35 | R | A | -0.9401 | |
| 36 | T | A | -0.5828 | |
| 37 | P | A | 0.0000 | |
| 38 | E | A | -1.0462 | |
| 39 | V | A | 0.0000 | |
| 40 | T | A | -0.1028 | |
| 41 | C | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | D | A | -1.4978 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -1.9652 | |
| 48 | H | A | -2.4989 | |
| 49 | E | A | -2.9204 | |
| 50 | D | A | -2.4591 | |
| 51 | P | A | -2.5287 | |
| 52 | E | A | -2.7852 | |
| 53 | V | A | -1.8555 | |
| 54 | K | A | -2.1815 | |
| 55 | F | A | -1.1875 | |
| 56 | N | A | -1.1230 | |
| 57 | W | A | 0.0000 | |
| 58 | Y | A | -0.4777 | |
| 59 | V | A | -0.7765 | |
| 60 | D | A | -2.0424 | |
| 61 | G | A | -0.8106 | |
| 62 | V | A | 0.7032 | |
| 63 | E | A | -0.4382 | |
| 64 | V | A | -0.4225 | |
| 65 | H | A | -1.8314 | |
| 66 | N | A | -2.1514 | |
| 67 | A | A | -1.9042 | |
| 68 | K | A | -2.4128 | |
| 69 | T | A | -1.9109 | |
| 70 | K | A | -2.3254 | |
| 71 | P | A | -2.4269 | |
| 72 | R | A | -3.5931 | |
| 73 | E | A | -3.8820 | |
| 74 | E | A | -3.3305 | |
| 75 | Q | A | -1.5304 | |
| 76 | Y | A | 0.4735 | |
| 77 | N | A | -0.5409 | |
| 78 | S | A | -0.9160 | |
| 79 | T | A | -1.8043 | |
| 80 | Y | A | -2.4257 | |
| 81 | R | A | -2.4741 | |
| 82 | V | A | 0.0000 | |
| 83 | V | A | -0.9849 | |
| 84 | S | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | T | A | -0.7138 | |
| 88 | V | A | 0.0000 | |
| 89 | L | A | 0.3610 | |
| 90 | H | A | -0.4069 | |
| 91 | Q | A | -1.1115 | |
| 92 | D | A | -1.1187 | |
| 93 | W | A | 0.0000 | |
| 94 | L | A | -0.8795 | |
| 95 | N | A | -1.9795 | |
| 96 | G | A | -2.0082 | |
| 97 | K | A | -2.0864 | |
| 98 | E | A | -2.0178 | |
| 99 | Y | A | 0.0000 | |
| 100 | K | A | -1.6602 | |
| 101 | C | A | 0.0000 | |
| 102 | K | A | -1.5871 | |
| 103 | V | A | 0.0000 | |
| 104 | S | A | -1.4431 | |
| 105 | N | A | 0.0000 | |
| 106 | K | A | -2.5038 | |
| 107 | A | A | -1.4381 | |
| 108 | L | A | -0.6167 | |
| 109 | P | A | -0.4823 | |
| 110 | A | A | -0.4442 | |
| 111 | P | A | -0.9136 | |
| 112 | I | A | -0.7135 | |
| 113 | E | A | -2.2543 | |
| 114 | K | A | -1.6482 | |
| 115 | T | A | -1.2507 | |
| 116 | I | A | -0.3309 | |
| 117 | S | A | -1.1674 | |
| 118 | K | A | -1.2814 | |
| 119 | A | A | -1.1950 | |
| 120 | K | A | -2.3466 | |
| 121 | G | A | -1.9667 | |
| 122 | Q | A | -1.9321 | |
| 123 | P | A | -1.7356 | |
| 124 | R | A | -2.0179 | |
| 125 | E | A | -2.4577 | |
| 126 | P | A | 0.0000 | |
| 127 | Q | A | -1.2396 | |
| 128 | V | A | 0.0000 | |
| 129 | Y | A | 0.0000 | |
| 130 | T | A | -0.7206 | |
| 131 | L | A | 0.0000 | |
| 132 | P | A | -0.3659 | |
| 133 | P | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | R | A | -2.5939 | |
| 136 | E | A | -2.6167 | |
| 137 | E | A | 0.0000 | |
| 138 | M | A | -1.8656 | |
| 139 | T | A | -1.5482 | |
| 140 | K | A | -2.0641 | |
| 141 | N | A | -2.4497 | |
| 142 | Q | A | -2.2600 | |
| 143 | V | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | K | A | -0.5340 | |
| 151 | G | A | -1.0380 | |
| 152 | F | A | 0.0000 | |
| 153 | Y | A | -1.0642 | |
| 154 | P | A | 0.0000 | |
| 155 | S | A | -0.2712 | |
| 156 | D | A | -1.0374 | |
| 157 | I | A | -0.4659 | |
| 158 | A | A | -0.3599 | |
| 159 | V | A | 0.0000 | |
| 160 | E | A | -0.5679 | |
| 161 | W | A | 0.0000 | |
| 162 | E | A | -0.8403 | |
| 163 | S | A | 0.0000 | |
| 164 | N | A | -1.4346 | |
| 165 | G | A | -0.8420 | |
| 166 | Q | A | 0.0000 | |
| 167 | P | A | -0.9439 | |
| 168 | E | A | -1.1793 | |
| 169 | N | A | -1.6196 | |
| 170 | N | A | -1.3857 | |
| 171 | Y | A | -0.9037 | |
| 172 | K | A | -0.7538 | |
| 173 | T | A | -0.3552 | |
| 174 | T | A | 0.0000 | |
| 175 | P | A | -0.2676 | |
| 176 | P | A | 0.0822 | |
| 177 | V | A | 0.3227 | |
| 178 | L | A | 0.4414 | |
| 179 | D | A | -0.6145 | |
| 180 | S | A | -1.2092 | |
| 181 | D | A | -1.8915 | |
| 182 | G | A | -0.8489 | |
| 183 | S | A | 0.0000 | |
| 184 | F | A | 0.0703 | |
| 185 | F | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | K | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | T | A | -0.8991 | |
| 192 | V | A | 0.0000 | |
| 193 | D | A | -2.4601 | |
| 194 | K | A | -2.6198 | |
| 195 | S | A | -2.2393 | |
| 196 | R | A | -2.1429 | |
| 197 | W | A | 0.0000 | |
| 198 | Q | A | -2.3752 | |
| 199 | Q | A | -2.2502 | |
| 200 | G | A | -1.6143 | |
| 201 | N | A | -1.4142 | |
| 202 | V | A | -0.7007 | |
| 203 | F | A | 0.0000 | |
| 204 | S | A | 0.0000 | |
| 205 | C | A | 0.0000 | |
| 206 | S | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | M | A | 0.0000 | |
| 209 | H | A | 0.0000 | |
| 210 | E | A | -0.9123 | |
| 211 | A | A | -1.3748 | |
| 212 | L | A | -1.2279 | |
| 213 | H | A | -1.3424 | |
| 214 | N | A | 0.0000 | |
| 215 | H | A | -0.7343 | |
| 216 | Y | A | 0.0000 | |
| 217 | T | A | -0.5117 | |
| 218 | Q | A | -0.7979 | |
| 219 | K | A | -0.8479 | |
| 220 | S | A | -0.5823 | |
| 221 | L | A | 0.0000 | |
| 222 | S | A | -0.5625 | |
| 223 | L | A | -0.6446 | |
| 224 | S | A | -0.7534 | |
| 225 | P | A | -1.3812 | |
| 226 | G | A | -1.6256 | |
| 227 | K | A | -2.4186 | |
| 228 | G | A | -1.8828 | |
| 229 | G | A | -1.5413 | |
| 230 | G | A | -1.3812 | |
| 231 | G | A | -1.2030 | |
| 232 | S | A | -1.0214 | |
| 233 | G | A | -1.1827 | |
| 234 | G | A | -1.1912 | |
| 235 | G | A | -1.1986 | |
| 236 | G | A | -1.2138 | |
| 237 | S | A | -1.0890 | |
| 238 | G | A | -1.2268 | |
| 239 | G | A | -1.2378 | |
| 240 | G | A | -1.2730 | |
| 241 | G | A | -1.1383 | |
| 242 | S | A | -0.8849 | |
| 243 | Q | A | -0.8435 | |
| 244 | V | A | -0.4401 | |
| 245 | Q | A | -0.5363 | |
| 246 | L | A | 0.0000 | |
| 247 | V | A | 0.7645 | |
| 248 | Q | A | 0.0000 | |
| 249 | S | A | -0.3859 | |
| 250 | G | A | -0.4442 | |
| 251 | A | A | -0.1059 | |
| 252 | E | A | -0.0756 | |
| 253 | V | A | 1.0258 | |
| 254 | K | A | -1.0101 | |
| 255 | K | A | -2.2990 | |
| 256 | P | A | -2.2055 | |
| 257 | G | A | -1.9122 | |
| 258 | Q | A | -1.9622 | |
| 259 | S | A | -1.7361 | |
| 260 | L | A | 0.0000 | |
| 261 | R | A | -2.2162 | |
| 262 | I | A | 0.0000 | |
| 263 | S | A | -0.4917 | |
| 264 | C | A | 0.0000 | |
| 265 | Q | A | -0.3243 | |
| 266 | G | A | 0.0000 | |
| 267 | S | A | -0.2281 | |
| 268 | G | A | -0.6516 | |
| 269 | H | A | -0.7818 | |
| 270 | S | A | -0.9974 | |
| 271 | F | A | 0.0000 | |
| 272 | A | A | -1.7015 | |
| 273 | D | A | -1.7014 | |
| 274 | Y | A | -0.5248 | |
| 275 | W | A | -0.1398 | |
| 276 | I | A | 0.0000 | |
| 277 | N | A | 0.0000 | |
| 278 | W | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | R | A | -0.4332 | |
| 281 | Q | A | 0.0000 | |
| 282 | K | A | -0.8483 | |
| 283 | P | A | -0.7939 | |
| 284 | G | A | -1.0251 | |
| 285 | E | A | -1.2720 | |
| 286 | G | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | E | A | -0.3843 | |
| 289 | W | A | 0.0000 | |
| 290 | M | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | R | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | D | A | -1.4864 | |
| 295 | P | A | 0.0000 | |
| 296 | S | A | -1.9369 | |
| 297 | D | A | -2.4359 | |
| 298 | S | A | -1.7851 | |
| 299 | H | A | -1.6559 | |
| 300 | A | A | -0.7282 | |
| 301 | T | A | -0.6529 | |
| 302 | Y | A | -0.5941 | |
| 303 | S | A | 0.0000 | |
| 304 | P | A | -0.9898 | |
| 305 | S | A | -0.9946 | |
| 306 | F | A | 0.0000 | |
| 307 | R | A | -2.2666 | |
| 308 | G | A | -1.5828 | |
| 309 | H | A | -1.5150 | |
| 310 | V | A | 0.0000 | |
| 311 | T | A | -0.9251 | |
| 312 | F | A | 0.0000 | |
| 313 | S | A | -0.9262 | |
| 314 | T | A | -1.2554 | |
| 315 | D | A | -1.5530 | |
| 316 | K | A | -2.0750 | |
| 317 | S | A | -0.5984 | |
| 318 | I | A | 0.3569 | |
| 319 | S | A | -0.5820 | |
| 320 | T | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | Y | A | -0.7182 | |
| 323 | L | A | 0.0000 | |
| 324 | Q | A | -1.5265 | |
| 325 | W | A | 0.0000 | |
| 326 | S | A | -1.1127 | |
| 327 | S | A | -1.5278 | |
| 328 | L | A | 0.0000 | |
| 329 | R | A | -2.5227 | |
| 330 | A | A | -1.3261 | |
| 331 | S | A | -0.8778 | |
| 332 | D | A | 0.0000 | |
| 333 | T | A | -0.3433 | |
| 334 | A | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | Y | A | 0.0000 | |
| 337 | F | A | 0.0000 | |
| 338 | C | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | R | A | 0.0000 | |
| 341 | S | A | 0.0000 | |
| 342 | Y | A | 0.5583 | |
| 343 | Y | A | 0.2248 | |
| 344 | D | A | 0.0000 | |
| 345 | S | A | -1.1006 | |
| 346 | R | A | -2.0557 | |
| 347 | T | A | -1.1658 | |
| 348 | G | A | -1.0272 | |
| 349 | S | A | -0.5980 | |
| 350 | V | A | 0.1734 | |
| 351 | S | A | 0.3552 | |
| 352 | P | A | 0.3658 | |
| 353 | Y | A | 0.4103 | |
| 354 | Y | A | 0.0000 | |
| 355 | F | A | 0.0000 | |
| 356 | D | A | -0.0969 | |
| 357 | Y | A | -0.2003 | |
| 358 | W | A | 0.0000 | |
| 359 | G | A | 0.0000 | |
| 360 | Q | A | -0.0468 | |
| 361 | G | A | 0.0000 | |
| 362 | T | A | 0.0000 | |
| 363 | L | A | 0.0947 | |
| 364 | V | A | 0.0000 | |
| 365 | T | A | -0.0109 | |
| 366 | V | A | 0.0000 | |
| 367 | S | A | -1.0634 | |
| 368 | S | A | -1.5413 | |
| 369 | G | A | -1.3568 | |
| 370 | G | A | -1.1480 | |
| 371 | G | A | -1.1702 | |
| 372 | G | A | -1.1672 | |
| 373 | S | A | -1.0950 | |
| 374 | G | A | -1.1837 | |
| 375 | G | A | -1.2301 | |
| 376 | G | A | -1.2091 | |
| 377 | G | A | -1.2059 | |
| 378 | S | A | -1.1150 | |
| 379 | G | A | -1.2199 | |
| 380 | G | A | -1.2397 | |
| 381 | G | A | -1.3204 | |
| 382 | G | A | -1.5226 | |
| 383 | S | A | -1.1087 | |
| 384 | Q | A | -0.9289 | |
| 385 | S | A | 0.2650 | |
| 386 | V | A | 1.5403 | |
| 387 | L | A | 0.0000 | |
| 388 | I | A | 1.5612 | |
| 389 | Q | A | 0.3018 | |
| 390 | P | A | -0.6699 | |
| 391 | R | A | -1.7675 | |
| 392 | S | A | -0.9894 | |
| 393 | V | A | -0.1540 | |
| 394 | S | A | -0.4405 | |
| 395 | G | A | -1.1994 | |
| 396 | S | A | -1.1530 | |
| 397 | P | A | -1.3630 | |
| 398 | G | A | -1.5826 | |
| 399 | Q | A | -1.9004 | |
| 400 | S | A | -1.2101 | |
| 401 | V | A | -0.3798 | |
| 402 | T | A | -0.0584 | |
| 403 | I | A | 0.0000 | |
| 404 | S | A | 0.0960 | |
| 405 | C | A | 0.0000 | |
| 406 | T | A | 0.3982 | |
| 407 | G | A | 0.0000 | |
| 408 | T | A | -0.3373 | |
| 409 | S | A | -0.9804 | |
| 410 | T | A | -0.6583 | |
| 411 | D | A | 0.0000 | |
| 412 | V | A | 0.0000 | |
| 413 | G | A | -1.6174 | |
| 414 | N | A | -1.6830 | |
| 415 | Y | A | -0.9223 | |
| 416 | N | A | -1.3329 | |
| 417 | Y | A | -0.2021 | |
| 418 | V | A | 0.0000 | |
| 419 | S | A | 0.0000 | |
| 420 | W | A | 0.0000 | |
| 421 | Y | A | 0.0000 | |
| 422 | Q | A | 0.0000 | |
| 423 | Q | A | 0.0000 | |
| 424 | H | A | -0.8220 | |
| 425 | P | A | 0.0000 | |
| 426 | G | A | 0.0000 | |
| 427 | T | A | -0.2078 | |
| 428 | A | A | -0.0699 | |
| 429 | P | A | 0.0000 | |
| 430 | R | A | 0.0000 | |
| 431 | F | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | Y | A | 0.0000 | |
| 435 | D | A | -0.7678 | |
| 436 | V | A | -0.6977 | |
| 437 | S | A | -0.8975 | |
| 438 | N | A | -1.2947 | |
| 439 | R | A | -1.5750 | |
| 440 | P | A | -0.8875 | |
| 441 | S | A | -0.8698 | |
| 442 | G | A | -1.1696 | |
| 443 | V | A | 0.0000 | |
| 444 | P | A | -1.3475 | |
| 445 | D | A | -2.2627 | |
| 446 | R | A | -1.3310 | |
| 447 | F | A | 0.0000 | |
| 448 | S | A | -0.9536 | |
| 449 | G | A | -0.6013 | |
| 450 | S | A | -0.7637 | |
| 451 | K | A | -1.0989 | |
| 452 | S | A | -0.8940 | |
| 453 | G | A | -1.2698 | |
| 454 | N | A | -1.3339 | |
| 455 | T | A | -0.5766 | |
| 456 | A | A | 0.0000 | |
| 457 | S | A | -0.3560 | |
| 458 | L | A | 0.0000 | |
| 459 | T | A | -0.2254 | |
| 460 | I | A | 0.0000 | |
| 461 | S | A | -1.1791 | |
| 462 | G | A | -1.3026 | |
| 463 | L | A | -1.6666 | |
| 464 | Q | A | -2.2085 | |
| 465 | A | A | -2.2889 | |
| 466 | D | A | -2.4577 | |
| 467 | D | A | 0.0000 | |
| 468 | E | A | -2.8266 | |
| 469 | A | A | -1.3863 | |
| 470 | D | A | -0.9741 | |
| 471 | Y | A | 0.0000 | |
| 472 | Y | A | 0.0000 | |
| 473 | A | A | 0.0000 | |
| 474 | C | A | 0.0000 | |
| 475 | S | A | 0.0000 | |
| 476 | Y | A | -0.0940 | |
| 477 | A | A | -0.1747 | |
| 478 | G | A | 0.0000 | |
| 479 | K | A | -1.6520 | |
| 480 | S | A | -0.7195 | |
| 481 | I | A | -0.2600 | |
| 482 | V | A | 0.0000 | |
| 483 | V | A | 0.6425 | |
| 484 | C | A | 0.0000 | |
| 485 | G | A | 0.0000 | |
| 486 | G | A | -0.3527 | |
| 487 | G | A | -0.6035 | |
| 488 | T | A | -0.6842 | |
| 1 | D | B | -3.2756 | |
| 2 | K | B | -2.9034 | |
| 3 | T | B | -2.0353 | |
| 4 | H | B | -1.6203 | |
| 5 | T | B | -0.7473 | |
| 6 | C | B | 0.1077 | |
| 7 | P | B | -0.3431 | |
| 8 | P | B | -0.1929 | |
| 9 | C | B | 0.0118 | |
| 10 | P | B | -0.5297 | |
| 11 | A | B | -0.3420 | |
| 12 | P | B | -0.5203 | |
| 13 | E | B | -0.9825 | |
| 14 | L | B | 0.8080 | |
| 15 | L | B | 1.2748 | |
| 16 | G | B | 0.1198 | |
| 17 | G | B | -0.4327 | |
| 18 | P | B | 0.0000 | |
| 19 | S | B | -0.2164 | |
| 20 | V | B | 0.0000 | |
| 21 | F | B | 0.5486 | |
| 22 | L | B | 0.3952 | |
| 23 | F | B | 0.6504 | |
| 24 | P | B | -0.1615 | |
| 25 | P | B | 0.0000 | |
| 26 | K | B | -1.2937 | |
| 27 | P | B | -0.9019 | |
| 28 | K | B | -0.7475 | |
| 29 | D | B | -0.8732 | |
| 30 | T | B | 0.0000 | |
| 31 | L | B | 0.0000 | |
| 32 | M | B | 0.0000 | |
| 33 | I | B | -0.1538 | |
| 34 | S | B | -0.4161 | |
| 35 | R | B | -0.7320 | |
| 36 | T | B | -0.4986 | |
| 37 | P | B | 0.0000 | |
| 38 | E | B | -1.0695 | |
| 39 | V | B | 0.0000 | |
| 40 | T | B | -0.0584 | |
| 41 | C | B | 0.0000 | |
| 42 | V | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | V | B | -0.8108 | |
| 45 | D | B | -1.5569 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -2.0637 | |
| 48 | H | B | -2.5855 | |
| 49 | E | B | -3.0310 | |
| 50 | D | B | -2.6912 | |
| 51 | P | B | -2.6915 | |
| 52 | E | B | -3.0274 | |
| 53 | V | B | -1.9748 | |
| 54 | K | B | -2.2276 | |
| 55 | F | B | -1.1791 | |
| 56 | N | B | -1.0976 | |
| 57 | W | B | 0.0000 | |
| 58 | Y | B | -0.5068 | |
| 59 | V | B | -0.8281 | |
| 60 | D | B | -2.0761 | |
| 61 | G | B | -0.8328 | |
| 62 | V | B | 0.6792 | |
| 63 | E | B | -0.4590 | |
| 64 | V | B | -0.4360 | |
| 65 | H | B | -1.8379 | |
| 66 | N | B | -2.1594 | |
| 67 | A | B | -1.8939 | |
| 68 | K | B | -2.3766 | |
| 69 | T | B | -1.7789 | |
| 70 | K | B | -2.0723 | |
| 71 | P | B | -2.1759 | |
| 72 | R | B | -3.2401 | |
| 73 | E | B | -3.7023 | |
| 74 | E | B | -3.2632 | |
| 75 | Q | B | -1.5049 | |
| 76 | Y | B | 0.4768 | |
| 77 | N | B | -0.5395 | |
| 78 | S | B | -0.9364 | |
| 79 | T | B | -1.7802 | |
| 80 | Y | B | -2.4419 | |
| 81 | R | B | -2.4847 | |
| 82 | V | B | 0.0000 | |
| 83 | V | B | -0.9486 | |
| 84 | S | B | 0.0000 | |
| 85 | V | B | 0.0000 | |
| 86 | L | B | 0.0000 | |
| 87 | T | B | -0.7620 | |
| 88 | V | B | 0.0000 | |
| 89 | L | B | 0.2563 | |
| 90 | H | B | -0.5738 | |
| 91 | Q | B | -1.4514 | |
| 92 | D | B | -1.3839 | |
| 93 | W | B | 0.0000 | |
| 94 | L | B | -1.0051 | |
| 95 | N | B | -2.0961 | |
| 96 | G | B | -2.0611 | |
| 97 | K | B | -2.2007 | |
| 98 | E | B | -2.1930 | |
| 99 | Y | B | 0.0000 | |
| 100 | K | B | -1.5818 | |
| 101 | C | B | 0.0000 | |
| 102 | K | B | -1.4943 | |
| 103 | V | B | 0.0000 | |
| 104 | S | B | -1.4643 | |
| 105 | N | B | 0.0000 | |
| 106 | K | B | -2.5896 | |
| 107 | A | B | -1.5114 | |
| 108 | L | B | -0.6556 | |
| 109 | P | B | -0.5414 | |
| 110 | A | B | -0.4438 | |
| 111 | P | B | -0.9072 | |
| 112 | I | B | -0.6912 | |
| 113 | E | B | -2.0603 | |
| 114 | K | B | -1.3420 | |
| 115 | T | B | -1.1191 | |
| 116 | I | B | -0.2934 | |
| 117 | S | B | -1.2269 | |
| 118 | K | B | -1.2855 | |
| 119 | A | B | -1.1672 | |
| 120 | K | B | -2.3367 | |
| 121 | G | B | -1.9637 | |
| 122 | Q | B | -1.9349 | |
| 123 | P | B | -1.7362 | |
| 124 | R | B | -2.0136 | |
| 125 | E | B | -2.4536 | |
| 126 | P | B | 0.0000 | |
| 127 | Q | B | -1.2023 | |
| 128 | V | B | 0.0000 | |
| 129 | Y | B | 0.0000 | |
| 130 | T | B | 0.0000 | |
| 131 | L | B | 0.0000 | |
| 132 | P | B | -0.3746 | |
| 133 | P | B | -0.8999 | |
| 134 | S | B | -1.5623 | |
| 135 | R | B | -2.7159 | |
| 136 | E | B | -2.8736 | |
| 137 | E | B | 0.0000 | |
| 138 | M | B | -1.9794 | |
| 139 | T | B | -1.6782 | |
| 140 | K | B | -2.2676 | |
| 141 | N | B | -2.5491 | |
| 142 | Q | B | -2.3568 | |
| 143 | V | B | 0.0000 | |
| 144 | S | B | 0.0000 | |
| 145 | L | B | 0.0000 | |
| 146 | T | B | 0.0000 | |
| 147 | C | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | V | B | 0.0000 | |
| 150 | K | B | -0.5003 | |
| 151 | G | B | -1.0034 | |
| 152 | F | B | 0.0000 | |
| 153 | Y | B | -1.0127 | |
| 154 | P | B | 0.0000 | |
| 155 | S | B | -0.1594 | |
| 156 | D | B | -0.8598 | |
| 157 | I | B | -0.3737 | |
| 158 | A | B | -0.3108 | |
| 159 | V | B | 0.0000 | |
| 160 | E | B | -0.5626 | |
| 161 | W | B | 0.0000 | |
| 162 | E | B | -0.8749 | |
| 163 | S | B | 0.0000 | |
| 164 | N | B | -1.3927 | |
| 165 | G | B | -0.8211 | |
| 166 | Q | B | 0.0000 | |
| 167 | P | B | -0.9982 | |
| 168 | E | B | -1.3310 | |
| 169 | N | B | -1.9402 | |
| 170 | N | B | -1.5654 | |
| 171 | Y | B | -1.0500 | |
| 172 | K | B | -0.8414 | |
| 173 | T | B | -0.3674 | |
| 174 | T | B | 0.0000 | |
| 175 | P | B | -0.2199 | |
| 176 | P | B | 0.1623 | |
| 177 | V | B | 0.4517 | |
| 178 | L | B | 0.7866 | |
| 179 | D | B | -0.4929 | |
| 180 | S | B | -1.1547 | |
| 181 | D | B | -1.8474 | |
| 182 | G | B | -0.7765 | |
| 183 | S | B | 0.0000 | |
| 184 | F | B | 0.1899 | |
| 185 | F | B | 0.0000 | |
| 186 | L | B | 0.0000 | |
| 187 | Y | B | 0.0000 | |
| 188 | S | B | 0.0000 | |
| 189 | K | B | 0.0000 | |
| 190 | L | B | 0.0000 | |
| 191 | T | B | -0.9691 | |
| 192 | V | B | 0.0000 | |
| 193 | D | B | -2.5155 | |
| 194 | K | B | -2.6881 | |
| 195 | S | B | -2.2898 | |
| 196 | R | B | -2.1923 | |
| 197 | W | B | 0.0000 | |
| 198 | Q | B | -2.4081 | |
| 199 | Q | B | -2.2986 | |
| 200 | G | B | -1.6617 | |
| 201 | N | B | -1.5658 | |
| 202 | V | B | -0.7245 | |
| 203 | F | B | 0.0000 | |
| 204 | S | B | -0.5856 | |
| 205 | C | B | 0.0000 | |
| 206 | S | B | 0.0000 | |
| 207 | V | B | 0.0000 | |
| 208 | M | B | 0.0000 | |
| 209 | H | B | 0.0000 | |
| 210 | E | B | -0.8859 | |
| 211 | A | B | -1.3524 | |
| 212 | L | B | -1.2273 | |
| 213 | H | B | -1.3578 | |
| 214 | N | B | 0.0000 | |
| 215 | H | B | -0.7313 | |
| 216 | Y | B | 0.0000 | |
| 217 | T | B | -0.3820 | |
| 218 | Q | B | -0.5429 | |
| 219 | K | B | -0.7020 | |
| 220 | S | B | -0.4881 | |
| 221 | L | B | 0.0000 | |
| 222 | S | B | -0.5271 | |
| 223 | L | B | -0.5105 | |
| 224 | S | B | -0.6870 | |
| 225 | P | B | -1.3411 | |
| 226 | G | B | -1.5944 | |
| 227 | K | B | -2.4180 | |
| 228 | G | B | -1.8756 | |
| 229 | G | B | -1.5390 | |
| 230 | G | B | -1.3763 | |
| 231 | G | B | -1.2003 | |
| 232 | S | B | -1.0174 | |
| 233 | G | B | -1.1830 | |
| 234 | G | B | -1.1891 | |
| 235 | G | B | -1.1977 | |
| 236 | G | B | -1.2149 | |
| 237 | S | B | -1.0938 | |
| 238 | G | B | -1.2281 | |
| 239 | G | B | -1.2425 | |
| 240 | G | B | -1.2744 | |
| 241 | G | B | -1.1649 | |
| 242 | S | B | -0.9384 | |
| 243 | Q | B | -0.8296 | |
| 244 | V | B | -0.3766 | |
| 245 | Q | B | -0.4013 | |
| 246 | L | B | 0.0000 | |
| 247 | V | B | 1.0632 | |
| 248 | Q | B | 0.0000 | |
| 249 | S | B | -0.3180 | |
| 250 | G | B | -0.3990 | |
| 251 | A | B | -0.1823 | |
| 252 | E | B | -0.1210 | |
| 253 | V | B | 0.9417 | |
| 254 | K | B | -1.0065 | |
| 255 | K | B | -2.3205 | |
| 256 | P | B | -2.1070 | |
| 257 | G | B | -1.7679 | |
| 258 | Q | B | -1.8772 | |
| 259 | S | B | -1.6485 | |
| 260 | L | B | 0.0000 | |
| 261 | R | B | -2.2220 | |
| 262 | I | B | 0.0000 | |
| 263 | S | B | -0.4497 | |
| 264 | C | B | 0.0000 | |
| 265 | Q | B | -0.2333 | |
| 266 | G | B | 0.0000 | |
| 267 | S | B | -0.2241 | |
| 268 | G | B | -0.6639 | |
| 269 | H | B | -0.7933 | |
| 270 | S | B | -1.0012 | |
| 271 | F | B | 0.0000 | |
| 272 | A | B | -1.6940 | |
| 273 | D | B | -1.6982 | |
| 274 | Y | B | -0.5191 | |
| 275 | W | B | -0.1327 | |
| 276 | I | B | 0.0000 | |
| 277 | N | B | 0.0000 | |
| 278 | W | B | 0.0000 | |
| 279 | V | B | 0.0000 | |
| 280 | R | B | -0.3983 | |
| 281 | Q | B | 0.0000 | |
| 282 | K | B | -0.6888 | |
| 283 | P | B | -0.5371 | |
| 284 | G | B | -0.6995 | |
| 285 | E | B | -1.0266 | |
| 286 | G | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | E | B | -0.3517 | |
| 289 | W | B | 0.0000 | |
| 290 | M | B | 0.0000 | |
| 291 | G | B | 0.0000 | |
| 292 | R | B | 0.0000 | |
| 293 | V | B | 0.0000 | |
| 294 | D | B | -1.4721 | |
| 295 | P | B | 0.0000 | |
| 296 | S | B | -1.9239 | |
| 297 | D | B | -2.4140 | |
| 298 | S | B | -1.7696 | |
| 299 | H | B | -1.6468 | |
| 300 | A | B | -0.7334 | |
| 301 | T | B | -0.6702 | |
| 302 | Y | B | -0.6405 | |
| 303 | S | B | 0.0000 | |
| 304 | P | B | -1.0041 | |
| 305 | S | B | -1.0042 | |
| 306 | F | B | 0.0000 | |
| 307 | R | B | -2.2906 | |
| 308 | G | B | -1.6061 | |
| 309 | H | B | -1.4764 | |
| 310 | V | B | 0.0000 | |
| 311 | T | B | -0.9409 | |
| 312 | F | B | 0.0000 | |
| 313 | S | B | -0.9189 | |
| 314 | T | B | -1.2425 | |
| 315 | D | B | -1.5431 | |
| 316 | K | B | -2.0510 | |
| 317 | S | B | -0.5869 | |
| 318 | I | B | 0.3718 | |
| 319 | S | B | -0.5770 | |
| 320 | T | B | 0.0000 | |
| 321 | A | B | 0.0000 | |
| 322 | Y | B | -0.7223 | |
| 323 | L | B | 0.0000 | |
| 324 | Q | B | -1.5196 | |
| 325 | W | B | 0.0000 | |
| 326 | S | B | -1.0564 | |
| 327 | S | B | -1.3141 | |
| 328 | L | B | 0.0000 | |
| 329 | R | B | -2.0825 | |
| 330 | A | B | -1.2279 | |
| 331 | S | B | -0.8677 | |
| 332 | D | B | 0.0000 | |
| 333 | T | B | -0.2878 | |
| 334 | A | B | 0.0000 | |
| 335 | M | B | 0.0000 | |
| 336 | Y | B | 0.0000 | |
| 337 | F | B | 0.0000 | |
| 338 | C | B | 0.0000 | |
| 339 | A | B | 0.0000 | |
| 340 | R | B | 0.0000 | |
| 341 | S | B | 0.0000 | |
| 342 | Y | B | 0.5944 | |
| 343 | Y | B | 0.2535 | |
| 344 | D | B | 0.0000 | |
| 345 | S | B | -1.0886 | |
| 346 | R | B | -2.0517 | |
| 347 | T | B | -1.1626 | |
| 348 | G | B | -1.0221 | |
| 349 | S | B | -0.5919 | |
| 350 | V | B | 0.1791 | |
| 351 | S | B | 0.3603 | |
| 352 | P | B | 0.3706 | |
| 353 | Y | B | 0.4083 | |
| 354 | Y | B | 0.0000 | |
| 355 | F | B | 0.0000 | |
| 356 | D | B | -0.0458 | |
| 357 | Y | B | -0.1045 | |
| 358 | W | B | 0.0000 | |
| 359 | G | B | 0.0000 | |
| 360 | Q | B | 0.0122 | |
| 361 | G | B | 0.0000 | |
| 362 | T | B | 0.0000 | |
| 363 | L | B | 0.1143 | |
| 364 | V | B | 0.0000 | |
| 365 | T | B | -0.0030 | |
| 366 | V | B | 0.0000 | |
| 367 | S | B | -1.0372 | |
| 368 | S | B | -1.5308 | |
| 369 | G | B | -1.2182 | |
| 370 | G | B | -1.1479 | |
| 371 | G | B | -1.2216 | |
| 372 | G | B | -1.1712 | |
| 373 | S | B | -1.1030 | |
| 374 | G | B | -1.1841 | |
| 375 | G | B | -1.2802 | |
| 376 | G | B | -1.2116 | |
| 377 | G | B | -1.2073 | |
| 378 | S | B | -1.1136 | |
| 379 | G | B | -1.2190 | |
| 380 | G | B | -1.2536 | |
| 381 | G | B | -1.3234 | |
| 382 | G | B | -1.4723 | |
| 383 | S | B | -1.0870 | |
| 384 | Q | B | -0.8631 | |
| 385 | S | B | 0.3645 | |
| 386 | V | B | 1.6236 | |
| 387 | L | B | 0.0000 | |
| 388 | I | B | 1.8245 | |
| 389 | Q | B | 0.4372 | |
| 390 | P | B | -0.6079 | |
| 391 | R | B | -1.7284 | |
| 392 | S | B | -0.9864 | |
| 393 | V | B | -0.1502 | |
| 394 | S | B | -0.4408 | |
| 395 | G | B | -1.2038 | |
| 396 | S | B | -1.1603 | |
| 397 | P | B | -1.3632 | |
| 398 | G | B | -1.5811 | |
| 399 | Q | B | -1.9012 | |
| 400 | S | B | -1.2080 | |
| 401 | V | B | -0.3788 | |
| 402 | T | B | -0.0776 | |
| 403 | I | B | 0.0000 | |
| 404 | S | B | 0.1403 | |
| 405 | C | B | 0.0000 | |
| 406 | T | B | 0.4728 | |
| 407 | G | B | 0.0000 | |
| 408 | T | B | -0.3312 | |
| 409 | S | B | -0.9849 | |
| 410 | T | B | -0.6530 | |
| 411 | D | B | 0.0000 | |
| 412 | V | B | 0.0000 | |
| 413 | G | B | -1.6170 | |
| 414 | N | B | -1.6492 | |
| 415 | Y | B | -0.8433 | |
| 416 | N | B | -1.2933 | |
| 417 | Y | B | -0.1825 | |
| 418 | V | B | 0.0000 | |
| 419 | S | B | 0.0000 | |
| 420 | W | B | 0.0000 | |
| 421 | Y | B | 0.0000 | |
| 422 | Q | B | 0.0000 | |
| 423 | Q | B | 0.0000 | |
| 424 | H | B | 0.0000 | |
| 425 | P | B | 0.0000 | |
| 426 | G | B | -0.1607 | |
| 427 | T | B | 0.0000 | |
| 428 | A | B | -0.0351 | |
| 429 | P | B | 0.0000 | |
| 430 | R | B | 0.0000 | |
| 431 | F | B | 0.0000 | |
| 432 | L | B | 0.0000 | |
| 433 | I | B | 0.0000 | |
| 434 | Y | B | 0.0000 | |
| 435 | D | B | -0.7645 | |
| 436 | V | B | -0.6853 | |
| 437 | S | B | -0.8851 | |
| 438 | N | B | -1.2719 | |
| 439 | R | B | -1.5561 | |
| 440 | P | B | -0.8704 | |
| 441 | S | B | -0.8795 | |
| 442 | G | B | -1.1862 | |
| 443 | V | B | 0.0000 | |
| 444 | P | B | -1.3636 | |
| 445 | D | B | -2.2683 | |
| 446 | R | B | -1.3383 | |
| 447 | F | B | 0.0000 | |
| 448 | S | B | -0.9494 | |
| 449 | G | B | -0.5945 | |
| 450 | S | B | -0.7655 | |
| 451 | K | B | -1.1052 | |
| 452 | S | B | -0.9078 | |
| 453 | G | B | -1.2990 | |
| 454 | N | B | -1.3850 | |
| 455 | T | B | -0.5741 | |
| 456 | A | B | 0.0000 | |
| 457 | S | B | -0.3521 | |
| 458 | L | B | 0.0000 | |
| 459 | T | B | -0.2244 | |
| 460 | I | B | 0.0000 | |
| 461 | S | B | -1.1801 | |
| 462 | G | B | -1.2998 | |
| 463 | L | B | -1.6253 | |
| 464 | Q | B | -2.2321 | |
| 465 | A | B | -2.2494 | |
| 466 | D | B | -2.0728 | |
| 467 | D | B | 0.0000 | |
| 468 | E | B | -2.5218 | |
| 469 | A | B | -1.1358 | |
| 470 | D | B | -0.9253 | |
| 471 | Y | B | 0.0000 | |
| 472 | Y | B | 0.0000 | |
| 473 | A | B | 0.0000 | |
| 474 | C | B | 0.0000 | |
| 475 | S | B | 0.0000 | |
| 476 | Y | B | -0.0716 | |
| 477 | A | B | -0.1560 | |
| 478 | G | B | 0.0000 | |
| 479 | K | B | -1.6411 | |
| 480 | S | B | -0.7050 | |
| 481 | I | B | -0.2469 | |
| 482 | V | B | 0.0000 | |
| 483 | V | B | 0.6454 | |
| 484 | C | B | 0.0000 | |
| 485 | G | B | 0.0000 | |
| 486 | G | B | -0.1928 | |
| 487 | G | B | -0.5115 | |
| 488 | T | B | -0.6488 |
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 | -0.6254 | 4.0153 | View | CSV | PDB |
| 4.5 | -0.6681 | 4.0153 | View | CSV | PDB |
| 5.0 | -0.7188 | 4.0153 | View | CSV | PDB |
| 5.5 | -0.7668 | 4.0153 | View | CSV | PDB |
| 6.0 | -0.8015 | 4.0153 | View | CSV | PDB |
| 6.5 | -0.8165 | 4.0153 | View | CSV | PDB |
| 7.0 | -0.8132 | 4.0153 | View | CSV | PDB |
| 7.5 | -0.7984 | 4.0153 | View | CSV | PDB |
| 8.0 | -0.7775 | 4.0153 | View | CSV | PDB |
| 8.5 | -0.7517 | 4.0153 | View | CSV | PDB |
| 9.0 | -0.7209 | 4.0153 | 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