| Chain sequence(s) |
A: QEQLEESGGDLVKPEGSLTLTCTASGFTLNTGWIYWVRQAPGKGLEWIACIYNDDGSTYYASWAKGRFTISKTSSTTVTLQMTSLTAADTATYFCARGINLWGPGTLVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDCGCKPCICTVPEVSSVFIFPPKPKDVLTITLTPKVTCVVVDISKDDPEVQFSWFVDDVEVHTAQTQPREEQFNSTFRSVSELPIMHQDWLNGKEFKCRVNSAAFPAPIEKTISKTKGRPKAPQVYTIPPPKEQMAKDKVSLTCMITDFFPEDITVEWQWNGQPAENYKNTQPIMDTDGSYFVYSKLNVQKSNWEAGNTFTCSVLHEGLHNHHTEKSLSHSPGK
B: DIVMTQTPASVEAAVGGTVTIKCQASQTIYTYLSWYQQKPGQRPKLLIYRASTLASGVPSRFKGSGSGTDFTLTISDLECADAATYYCQSYYLSSTSTYGNVFGGGTEVVVKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC 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] (00:00:11)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:11)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a22ff77d23e56da/tmp/folded.pdb (00:06:54)
[INFO] Main: Simulation completed successfully. (00:10:32)
|
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 | Q | A | -1.8744 | |
| 2 | E | A | -1.7964 | |
| 3 | Q | A | -1.9728 | |
| 4 | L | A | 0.0000 | |
| 5 | E | A | -2.1303 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -1.0407 | |
| 8 | G | A | -0.8899 | |
| 9 | G | A | -1.0467 | |
| 10 | D | A | -1.8956 | |
| 11 | L | A | -1.1966 | |
| 12 | V | A | -1.3616 | |
| 13 | K | A | -2.5618 | |
| 14 | P | A | -1.8636 | |
| 15 | E | A | -2.4162 | |
| 16 | G | A | -1.5800 | |
| 17 | S | A | -1.0764 | |
| 18 | L | A | -0.7212 | |
| 19 | T | A | -0.7622 | |
| 20 | L | A | 0.0000 | |
| 21 | T | A | -0.7278 | |
| 22 | C | A | 0.0000 | |
| 23 | T | A | -0.8443 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -1.3407 | |
| 26 | G | A | -1.2761 | |
| 27 | F | A | -0.7072 | |
| 28 | T | A | -0.6152 | |
| 29 | L | A | 0.0000 | |
| 30 | N | A | -2.0604 | |
| 31 | T | A | -1.6295 | |
| 32 | G | A | -0.9901 | |
| 33 | W | A | -0.2662 | |
| 34 | I | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | -0.7523 | |
| 39 | Q | A | -1.1665 | |
| 40 | A | A | -1.0387 | |
| 41 | P | A | -1.1045 | |
| 42 | G | A | -1.4869 | |
| 43 | K | A | -2.3237 | |
| 44 | G | A | -1.5452 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -1.1642 | |
| 47 | W | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | C | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | Y | A | -0.9048 | |
| 53 | N | A | 0.0000 | |
| 54 | D | A | -2.9796 | |
| 55 | D | A | -2.9258 | |
| 56 | G | A | -1.9199 | |
| 57 | S | A | -0.9382 | |
| 58 | T | A | -0.2062 | |
| 59 | Y | A | 0.1328 | |
| 60 | Y | A | -0.2463 | |
| 61 | A | A | 0.0000 | |
| 62 | S | A | -0.8788 | |
| 63 | W | A | -0.4722 | |
| 64 | A | A | 0.0000 | |
| 65 | K | A | -1.9111 | |
| 66 | G | A | -1.4427 | |
| 67 | R | A | -1.3020 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.8600 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.6736 | |
| 72 | K | A | -0.9434 | |
| 73 | T | A | -0.4884 | |
| 74 | S | A | -0.5918 | |
| 75 | S | A | -0.6906 | |
| 76 | T | A | -0.5211 | |
| 77 | T | A | -0.5446 | |
| 78 | V | A | 0.0000 | |
| 79 | T | A | -0.5682 | |
| 80 | L | A | 0.0000 | |
| 81 | Q | A | -1.1242 | |
| 82 | M | A | 0.0000 | |
| 83 | T | A | -0.9902 | |
| 84 | S | A | -1.3313 | |
| 85 | L | A | 0.0000 | |
| 86 | T | A | -0.8311 | |
| 87 | A | A | -0.4216 | |
| 88 | A | A | 0.0556 | |
| 89 | D | A | 0.0000 | |
| 90 | T | A | 0.0371 | |
| 91 | A | A | 0.0000 | |
| 92 | T | A | -0.2421 | |
| 93 | Y | A | 0.0000 | |
| 94 | F | A | 0.0000 | |
| 95 | C | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | R | A | -0.7090 | |
| 98 | G | A | -0.3936 | |
| 99 | I | A | -0.4777 | |
| 100 | N | A | -1.3795 | |
| 101 | L | A | -1.1127 | |
| 102 | W | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | P | A | -1.2955 | |
| 105 | G | A | -0.9614 | |
| 106 | T | A | -0.6596 | |
| 107 | L | A | -0.3431 | |
| 108 | V | A | 0.0000 | |
| 109 | T | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | S | A | -1.3588 | |
| 112 | S | A | -1.3887 | |
| 113 | A | A | -1.5694 | |
| 114 | K | A | -2.1508 | |
| 115 | T | A | -0.9001 | |
| 116 | T | A | -0.7477 | |
| 117 | P | A | -0.6995 | |
| 118 | P | A | 0.0000 | |
| 119 | S | A | -0.4698 | |
| 120 | V | A | 0.0000 | |
| 121 | Y | A | 0.0000 | |
| 122 | P | A | -0.7276 | |
| 123 | L | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | P | A | -0.1386 | |
| 126 | G | A | -0.8726 | |
| 127 | S | A | -0.9733 | |
| 128 | A | A | -0.6117 | |
| 129 | A | A | -0.8551 | |
| 130 | Q | A | -1.3599 | |
| 131 | T | A | -1.1256 | |
| 132 | N | A | -1.5334 | |
| 133 | S | A | -0.8320 | |
| 134 | M | A | -0.2567 | |
| 135 | V | A | 0.0000 | |
| 136 | T | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | G | A | 0.0000 | |
| 139 | C | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | K | A | -0.2377 | |
| 143 | G | A | -0.4376 | |
| 144 | Y | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | P | A | 0.0000 | |
| 147 | E | A | -0.3542 | |
| 148 | P | A | -0.2465 | |
| 149 | V | A | -0.1936 | |
| 150 | T | A | -0.1879 | |
| 151 | V | A | -0.0527 | |
| 152 | T | A | -0.3846 | |
| 153 | W | A | 0.0000 | |
| 154 | N | A | -1.0538 | |
| 155 | S | A | -0.7850 | |
| 156 | G | A | -0.5870 | |
| 157 | S | A | -0.4645 | |
| 158 | L | A | -0.1823 | |
| 159 | S | A | -0.3635 | |
| 160 | S | A | -0.3559 | |
| 161 | G | A | -0.3713 | |
| 162 | V | A | 0.0804 | |
| 163 | H | A | -0.1741 | |
| 164 | T | A | 0.0507 | |
| 165 | F | A | 0.0000 | |
| 166 | P | A | -0.1811 | |
| 167 | A | A | 0.2154 | |
| 168 | V | A | 0.4515 | |
| 169 | L | A | 0.2897 | |
| 170 | Q | A | -1.0698 | |
| 171 | S | A | -1.2718 | |
| 172 | D | A | -2.0099 | |
| 173 | L | A | -0.7999 | |
| 174 | Y | A | -0.0000 | |
| 175 | T | A | 0.1460 | |
| 176 | L | A | 0.0000 | |
| 177 | S | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | T | A | -0.0034 | |
| 182 | V | A | 0.0000 | |
| 183 | P | A | -0.3398 | |
| 184 | S | A | -0.8415 | |
| 185 | S | A | -0.6283 | |
| 186 | T | A | -0.8886 | |
| 187 | W | A | 0.0000 | |
| 188 | P | A | -0.6858 | |
| 189 | S | A | -1.2817 | |
| 190 | E | A | -2.0666 | |
| 191 | T | A | -1.1103 | |
| 192 | V | A | 0.0000 | |
| 193 | T | A | -1.4029 | |
| 194 | C | A | 0.0000 | |
| 195 | N | A | -1.5401 | |
| 196 | V | A | 0.0000 | |
| 197 | A | A | -0.9426 | |
| 198 | H | A | 0.0000 | |
| 199 | P | A | -0.6712 | |
| 200 | A | A | -0.5333 | |
| 201 | S | A | -0.5057 | |
| 202 | S | A | -0.7420 | |
| 203 | T | A | -0.9554 | |
| 204 | K | A | -2.0576 | |
| 205 | V | A | -1.6743 | |
| 206 | D | A | -2.7317 | |
| 207 | K | A | -1.9264 | |
| 208 | K | A | -1.7194 | |
| 209 | I | A | 0.0000 | |
| 210 | V | A | 0.8164 | |
| 211 | P | A | -0.1516 | |
| 212 | R | A | -0.9148 | |
| 213 | D | A | -1.9829 | |
| 214 | C | A | -1.6327 | |
| 215 | G | A | -1.5552 | |
| 216 | C | A | -1.1447 | |
| 217 | K | A | -1.3837 | |
| 218 | P | A | -0.0672 | |
| 219 | C | A | 1.6444 | |
| 220 | I | A | 2.6463 | |
| 221 | C | A | 2.4613 | |
| 222 | T | A | 1.8991 | |
| 223 | V | A | 2.0520 | |
| 224 | P | A | 0.5674 | |
| 225 | E | A | -0.7271 | |
| 226 | V | A | 0.9039 | |
| 227 | S | A | 0.0000 | |
| 228 | S | A | 0.3403 | |
| 229 | V | A | 0.0000 | |
| 230 | F | A | 1.4791 | |
| 231 | I | A | 1.0196 | |
| 232 | F | A | 0.9308 | |
| 233 | P | A | -0.2107 | |
| 234 | P | A | 0.0000 | |
| 235 | K | A | -2.1976 | |
| 236 | P | A | -1.5287 | |
| 237 | K | A | -1.0593 | |
| 238 | D | A | -0.9591 | |
| 239 | V | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | T | A | 0.5249 | |
| 242 | I | A | 1.9237 | |
| 243 | T | A | 1.0267 | |
| 244 | L | A | 0.6768 | |
| 245 | T | A | 0.0722 | |
| 246 | P | A | 0.0000 | |
| 247 | K | A | -1.0684 | |
| 248 | V | A | 0.0000 | |
| 249 | T | A | 0.0718 | |
| 250 | C | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | V | A | 0.0000 | |
| 253 | V | A | -0.5970 | |
| 254 | D | A | -1.4551 | |
| 255 | I | A | 0.0000 | |
| 256 | S | A | -2.1689 | |
| 257 | K | A | -3.2733 | |
| 258 | D | A | -3.0083 | |
| 259 | D | A | -2.1855 | |
| 260 | P | A | -1.8791 | |
| 261 | E | A | -2.8338 | |
| 262 | V | A | -1.7211 | |
| 263 | Q | A | -1.8375 | |
| 264 | F | A | -1.2393 | |
| 265 | S | A | -1.0983 | |
| 266 | W | A | 0.0000 | |
| 267 | F | A | 0.0000 | |
| 268 | V | A | -1.3508 | |
| 269 | D | A | -2.4477 | |
| 270 | D | A | -2.1387 | |
| 271 | V | A | -0.1278 | |
| 272 | E | A | -1.1191 | |
| 273 | V | A | -0.5031 | |
| 274 | H | A | -1.2777 | |
| 275 | T | A | -0.9461 | |
| 276 | A | A | -1.1976 | |
| 277 | Q | A | -1.8295 | |
| 278 | T | A | -1.6974 | |
| 279 | Q | A | -2.4217 | |
| 280 | P | A | -2.6329 | |
| 281 | R | A | -3.6953 | |
| 282 | E | A | -3.7887 | |
| 283 | E | A | -3.5200 | |
| 284 | Q | A | -1.5969 | |
| 285 | F | A | 0.6090 | |
| 286 | N | A | -0.6870 | |
| 287 | S | A | -1.3784 | |
| 288 | T | A | -2.3316 | |
| 289 | F | A | 0.0000 | |
| 290 | R | A | -2.5082 | |
| 291 | S | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | S | A | 0.0000 | |
| 294 | E | A | -1.1423 | |
| 295 | L | A | 0.0000 | |
| 296 | P | A | -0.5514 | |
| 297 | I | A | 0.0000 | |
| 298 | M | A | 0.5609 | |
| 299 | H | A | -0.0909 | |
| 300 | Q | A | -1.0166 | |
| 301 | D | A | -1.4784 | |
| 302 | W | A | 0.0000 | |
| 303 | L | A | -1.0677 | |
| 304 | N | A | -2.1763 | |
| 305 | G | A | -2.1108 | |
| 306 | K | A | -2.5677 | |
| 307 | E | A | -2.8409 | |
| 308 | F | A | 0.0000 | |
| 309 | K | A | -1.6941 | |
| 310 | C | A | 0.0000 | |
| 311 | R | A | -1.4864 | |
| 312 | V | A | 0.0000 | |
| 313 | N | A | -1.5532 | |
| 314 | S | A | 0.0000 | |
| 315 | A | A | -0.5504 | |
| 316 | A | A | -0.3252 | |
| 317 | F | A | 0.2141 | |
| 318 | P | A | -0.0398 | |
| 319 | A | A | -0.2350 | |
| 320 | P | A | -0.7489 | |
| 321 | I | A | -0.4502 | |
| 322 | E | A | -1.1951 | |
| 323 | K | A | -0.6875 | |
| 324 | T | A | -0.8355 | |
| 325 | I | A | -0.4124 | |
| 326 | S | A | -1.3552 | |
| 327 | K | A | -1.4285 | |
| 328 | T | A | -1.3956 | |
| 329 | K | A | -2.4729 | |
| 330 | G | A | -2.2613 | |
| 331 | R | A | -2.5397 | |
| 332 | P | A | -1.6041 | |
| 333 | K | A | -1.2987 | |
| 334 | A | A | -1.0694 | |
| 335 | P | A | 0.0000 | |
| 336 | Q | A | -0.9923 | |
| 337 | V | A | -0.2133 | |
| 338 | Y | A | 0.9572 | |
| 339 | T | A | 0.0000 | |
| 340 | I | A | 0.6908 | |
| 341 | P | A | -0.2477 | |
| 342 | P | A | 0.0000 | |
| 343 | P | A | -1.5546 | |
| 344 | K | A | -2.6921 | |
| 345 | E | A | -3.0023 | |
| 346 | Q | A | -2.6691 | |
| 347 | M | A | -2.4769 | |
| 348 | A | A | -2.1573 | |
| 349 | K | A | -3.4910 | |
| 350 | D | A | -3.7448 | |
| 351 | K | A | -3.6087 | |
| 352 | V | A | 0.0000 | |
| 353 | S | A | -0.9183 | |
| 354 | L | A | 0.0000 | |
| 355 | T | A | -0.1158 | |
| 356 | C | A | 0.0000 | |
| 357 | M | A | 0.8278 | |
| 358 | I | A | 0.0000 | |
| 359 | T | A | -0.1724 | |
| 360 | D | A | -1.4047 | |
| 361 | F | A | 0.0000 | |
| 362 | F | A | -0.9120 | |
| 363 | P | A | 0.0000 | |
| 364 | E | A | -0.6816 | |
| 365 | D | A | -1.4195 | |
| 366 | I | A | -0.7228 | |
| 367 | T | A | -0.8125 | |
| 368 | V | A | 0.0000 | |
| 369 | E | A | -1.6853 | |
| 370 | W | A | 0.0000 | |
| 371 | Q | A | -1.5881 | |
| 372 | W | A | -0.9454 | |
| 373 | N | A | -1.5635 | |
| 374 | G | A | -1.4290 | |
| 375 | Q | A | -1.6975 | |
| 376 | P | A | -1.6539 | |
| 377 | A | A | -1.8296 | |
| 378 | E | A | -2.8843 | |
| 379 | N | A | -2.6896 | |
| 380 | Y | A | -2.4662 | |
| 381 | K | A | -2.9487 | |
| 382 | N | A | -1.9537 | |
| 383 | T | A | -1.1175 | |
| 384 | Q | A | -1.1961 | |
| 385 | P | A | -0.1289 | |
| 386 | I | A | 1.0345 | |
| 387 | M | A | 0.5500 | |
| 388 | D | A | -0.8610 | |
| 389 | T | A | -1.1013 | |
| 390 | D | A | -2.1533 | |
| 391 | G | A | -0.9873 | |
| 392 | S | A | 0.0000 | |
| 393 | Y | A | -0.1554 | |
| 394 | F | A | 0.3517 | |
| 395 | V | A | 0.0000 | |
| 396 | Y | A | 0.1758 | |
| 397 | S | A | 0.0000 | |
| 398 | K | A | -1.7265 | |
| 399 | L | A | 0.0000 | |
| 400 | N | A | -2.0457 | |
| 401 | V | A | 0.0000 | |
| 402 | Q | A | -3.4245 | |
| 403 | K | A | -3.4034 | |
| 404 | S | A | -2.5812 | |
| 405 | N | A | -2.5795 | |
| 406 | W | A | 0.0000 | |
| 407 | E | A | -2.8058 | |
| 408 | A | A | -1.6934 | |
| 409 | G | A | -1.4997 | |
| 410 | N | A | -1.2904 | |
| 411 | T | A | -0.8105 | |
| 412 | F | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | C | A | 0.0000 | |
| 415 | S | A | -1.4131 | |
| 416 | V | A | 0.0000 | |
| 417 | L | A | -0.9147 | |
| 418 | H | A | 0.0000 | |
| 419 | E | A | -0.8317 | |
| 420 | G | A | -1.0144 | |
| 421 | L | A | -1.2257 | |
| 422 | H | A | -1.7661 | |
| 423 | N | A | -1.9987 | |
| 424 | H | A | -1.2133 | |
| 425 | H | A | -1.5987 | |
| 426 | T | A | -1.7756 | |
| 427 | E | A | -2.3298 | |
| 428 | K | A | -1.5236 | |
| 429 | S | A | -0.9614 | |
| 430 | L | A | 0.0000 | |
| 431 | S | A | -0.7704 | |
| 432 | H | A | -1.3734 | |
| 433 | S | A | -1.2411 | |
| 434 | P | A | -1.4280 | |
| 435 | G | A | -1.5295 | |
| 436 | K | A | -2.0247 | |
| 1 | D | B | -1.3476 | |
| 2 | I | B | 0.0000 | |
| 3 | V | B | 0.9633 | |
| 4 | M | B | 0.0000 | |
| 5 | T | B | -0.4348 | |
| 6 | Q | B | -0.6592 | |
| 7 | T | B | -0.7544 | |
| 8 | P | B | -0.4731 | |
| 9 | A | B | -0.4060 | |
| 10 | S | B | -0.6548 | |
| 11 | V | B | -0.8217 | |
| 12 | E | B | -1.8315 | |
| 13 | A | B | -1.2510 | |
| 14 | A | B | -0.7463 | |
| 15 | V | B | -0.1324 | |
| 16 | G | B | -0.9504 | |
| 17 | G | B | -0.9945 | |
| 18 | T | B | -0.9030 | |
| 19 | V | B | 0.0000 | |
| 20 | T | B | -0.6095 | |
| 21 | I | B | 0.0000 | |
| 22 | K | B | -1.4770 | |
| 23 | C | B | 0.0000 | |
| 24 | Q | B | -1.6149 | |
| 25 | A | B | 0.0000 | |
| 26 | S | B | -0.7020 | |
| 27 | Q | B | -1.1465 | |
| 28 | T | B | -0.4635 | |
| 29 | I | B | 0.0000 | |
| 30 | Y | B | 0.8900 | |
| 31 | T | B | 0.2040 | |
| 32 | Y | B | 0.5412 | |
| 33 | L | B | 0.0000 | |
| 34 | S | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | Y | B | 0.0000 | |
| 37 | Q | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | K | B | -1.5350 | |
| 40 | P | B | -1.4617 | |
| 41 | G | B | -1.4961 | |
| 42 | Q | B | -2.2855 | |
| 43 | R | B | -2.0699 | |
| 44 | P | B | 0.0000 | |
| 45 | K | B | -2.0543 | |
| 46 | L | B | -0.8292 | |
| 47 | L | B | 0.0000 | |
| 48 | I | B | 0.0000 | |
| 49 | Y | B | 0.0450 | |
| 50 | R | B | -0.5862 | |
| 51 | A | B | 0.0000 | |
| 52 | S | B | -0.7530 | |
| 53 | T | B | -0.2912 | |
| 54 | L | B | 0.0365 | |
| 55 | A | B | -0.2891 | |
| 56 | S | B | -0.3999 | |
| 57 | G | B | -0.4475 | |
| 58 | V | B | -0.4419 | |
| 59 | P | B | -0.5049 | |
| 60 | S | B | -0.6717 | |
| 61 | R | B | -1.2245 | |
| 62 | F | B | 0.0000 | |
| 63 | K | B | -1.5760 | |
| 64 | G | B | -1.0935 | |
| 65 | S | B | -1.1962 | |
| 66 | G | B | -1.0134 | |
| 67 | S | B | -0.5190 | |
| 68 | G | B | -0.2724 | |
| 69 | T | B | -1.0760 | |
| 70 | D | B | -1.8420 | |
| 71 | F | B | 0.0000 | |
| 72 | T | B | -1.1958 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.7652 | |
| 75 | I | B | 0.0000 | |
| 76 | S | B | -1.4208 | |
| 77 | D | B | -2.1091 | |
| 78 | L | B | 0.0000 | |
| 79 | E | B | -1.4032 | |
| 80 | C | B | -1.0463 | |
| 81 | A | B | -0.7936 | |
| 82 | D | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | A | B | 0.0000 | |
| 85 | T | B | -0.4559 | |
| 86 | Y | B | 0.0000 | |
| 87 | Y | B | 0.0000 | |
| 88 | C | B | 0.0000 | |
| 89 | Q | B | 0.0000 | |
| 90 | S | B | 0.0000 | |
| 91 | Y | B | 0.5149 | |
| 92 | Y | B | 0.8337 | |
| 93 | L | B | 0.4778 | |
| 94 | S | B | 0.0752 | |
| 95 | S | B | -0.1753 | |
| 96 | T | B | -0.1443 | |
| 97 | S | B | -0.1635 | |
| 98 | T | B | -0.1570 | |
| 99 | Y | B | 0.0316 | |
| 100 | G | B | 0.0000 | |
| 101 | N | B | 0.0000 | |
| 102 | V | B | 0.2931 | |
| 103 | F | B | 0.0000 | |
| 104 | G | B | 0.0000 | |
| 105 | G | B | -0.7467 | |
| 106 | G | B | -0.7645 | |
| 107 | T | B | 0.0000 | |
| 108 | E | B | -0.8753 | |
| 109 | V | B | 0.0000 | |
| 110 | V | B | -1.0397 | |
| 111 | V | B | 0.0000 | |
| 112 | K | B | -1.5596 | |
| 113 | R | B | -1.3455 | |
| 114 | A | B | -1.3422 | |
| 115 | D | B | -2.4013 | |
| 116 | A | B | -1.2469 | |
| 117 | A | B | -0.6495 | |
| 118 | P | B | 0.0000 | |
| 119 | T | B | -0.0529 | |
| 120 | V | B | 0.0666 | |
| 121 | S | B | -0.0894 | |
| 122 | I | B | 0.0000 | |
| 123 | F | B | 0.0000 | |
| 124 | P | B | 0.0000 | |
| 125 | P | B | 0.0000 | |
| 126 | S | B | 0.0000 | |
| 127 | S | B | -1.3044 | |
| 128 | E | B | -1.9674 | |
| 129 | Q | B | 0.0000 | |
| 130 | L | B | -1.1958 | |
| 131 | T | B | -0.9249 | |
| 132 | S | B | -0.8964 | |
| 133 | G | B | -1.1889 | |
| 134 | G | B | -1.0630 | |
| 135 | A | B | 0.0000 | |
| 136 | S | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | V | B | 0.0000 | |
| 139 | C | B | 0.0000 | |
| 140 | F | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | N | B | 0.0000 | |
| 143 | N | B | -0.8070 | |
| 144 | F | B | 0.0000 | |
| 145 | Y | B | -1.7937 | |
| 146 | P | B | -2.0251 | |
| 147 | K | B | -2.3806 | |
| 148 | D | B | -2.6918 | |
| 149 | I | B | -1.7769 | |
| 150 | N | B | -2.0024 | |
| 151 | V | B | 0.0000 | |
| 152 | K | B | -1.8335 | |
| 153 | W | B | 0.0000 | |
| 154 | K | B | -2.3568 | |
| 155 | I | B | 0.0000 | |
| 156 | D | B | -2.6723 | |
| 157 | G | B | -1.9704 | |
| 158 | S | B | -2.0398 | |
| 159 | E | B | -3.2604 | |
| 160 | R | B | -2.7735 | |
| 161 | Q | B | -2.5488 | |
| 162 | N | B | -2.0847 | |
| 163 | G | B | -0.8498 | |
| 164 | V | B | -0.5667 | |
| 165 | L | B | -0.2035 | |
| 166 | N | B | -0.2000 | |
| 167 | S | B | 0.0560 | |
| 168 | W | B | 0.0094 | |
| 169 | T | B | -0.7028 | |
| 170 | D | B | -1.4640 | |
| 171 | Q | B | 0.0000 | |
| 172 | D | B | -1.6560 | |
| 173 | S | B | -1.6267 | |
| 174 | K | B | -2.2341 | |
| 175 | D | B | -1.5897 | |
| 176 | S | B | 0.0000 | |
| 177 | T | B | 0.0000 | |
| 178 | Y | B | 0.0000 | |
| 179 | S | B | 0.0000 | |
| 180 | M | B | 0.0000 | |
| 181 | S | B | 0.0000 | |
| 182 | S | B | 0.0000 | |
| 183 | T | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | T | B | -0.2562 | |
| 186 | L | B | 0.0000 | |
| 187 | T | B | -1.4715 | |
| 188 | K | B | -2.6055 | |
| 189 | D | B | -3.4537 | |
| 190 | E | B | -2.6523 | |
| 191 | Y | B | 0.0000 | |
| 192 | E | B | -3.9501 | |
| 193 | R | B | -3.7725 | |
| 194 | H | B | -2.8844 | |
| 195 | N | B | -2.6168 | |
| 196 | S | B | -1.7730 | |
| 197 | Y | B | 0.0000 | |
| 198 | T | B | -1.1833 | |
| 199 | C | B | 0.0000 | |
| 200 | E | B | -0.7967 | |
| 201 | A | B | 0.0000 | |
| 202 | T | B | -1.0776 | |
| 203 | H | B | 0.0000 | |
| 204 | K | B | -2.5692 | |
| 205 | T | B | -1.3225 | |
| 206 | S | B | -0.6867 | |
| 207 | T | B | -0.5528 | |
| 208 | S | B | -0.3479 | |
| 209 | P | B | -0.4156 | |
| 210 | I | B | 0.4479 | |
| 211 | V | B | 0.3728 | |
| 212 | K | B | -0.4982 | |
| 213 | S | B | -0.6113 | |
| 214 | F | B | 0.0000 | |
| 215 | N | B | -1.9487 | |
| 216 | R | B | -2.3332 | |
| 217 | N | B | -2.6614 | |
| 218 | E | B | -2.5631 | |
| 219 | C | B | -1.5354 |
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 | -0.4769 | 5.2171 | View | CSV | PDB |
| 4.5 | -0.543 | 5.222 | View | CSV | PDB |
| 5.0 | -0.6217 | 5.2356 | View | CSV | PDB |
| 5.5 | -0.6997 | 5.2665 | View | CSV | PDB |
| 6.0 | -0.7626 | 5.3186 | View | CSV | PDB |
| 6.5 | -0.799 | 5.3858 | View | CSV | PDB |
| 7.0 | -0.8076 | 5.46 | View | CSV | PDB |
| 7.5 | -0.7971 | 5.5366 | View | CSV | PDB |
| 8.0 | -0.7755 | 5.6139 | View | CSV | PDB |
| 8.5 | -0.7447 | 5.6905 | View | CSV | PDB |
| 9.0 | -0.7042 | 5.7647 | 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