| Chain sequence(s) |
A: MAQVQLVESGGGVVQPGRSLRLSCSSSGFIFSDNYMYWVRQAPGKGLEWVATISDGGSYTYYPDSVKGRFTISRDNSKNTLFLQMDSLRPEDTGVYFCARGYYRYEGAMDYWGQGTPVTVSSGGGGSGGGGSGGGGSDIQLTQSPSSLSASVGDRVTITCKSSQSVLYSSNQKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCHQYLSSWTFGQGTKLEIKAAAGGGGSGGGGSGGGGSMYERIRLRVTHQTTGEEYFRFITLLRDYVSSGSFSNEIPLLRQSTIPVSDAQRFVLVELTNQGGDSITAAIDVTNLYVVAYQAGDQSYFLRDAPRGAETHLFTGTTRSSLPFNGSYPDLERYAGHRDQIPLGIDQLIQSVTALRFPGGSTRTQARSILILIQMISEAARFNPILWRARQYINSGASFLPDVYMLELETSWGQQSTQVQHSTDGVFNNPIRLAIPPGNFVTLTNVRDVIASLAIMLFVCGERPS
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/bcf710ae630f6fb/tmp/folded.pdb (00:05:45)
[INFO] Main: Simulation completed successfully. (00:09:54)
|
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 | 0.8263 | |
| 2 | A | A | -0.0777 | |
| 3 | Q | A | -1.0240 | |
| 4 | V | A | -0.2392 | |
| 5 | Q | A | -0.8418 | |
| 6 | L | A | 0.0000 | |
| 7 | V | A | 0.2268 | |
| 8 | E | A | 0.0000 | |
| 9 | S | A | -0.5270 | |
| 10 | G | A | -1.0159 | |
| 11 | G | A | -0.5649 | |
| 12 | G | A | -0.0053 | |
| 13 | V | A | 0.9015 | |
| 14 | V | A | 0.0000 | |
| 15 | Q | A | -1.5736 | |
| 16 | P | A | -2.0178 | |
| 17 | G | A | -2.1540 | |
| 18 | R | A | -2.8044 | |
| 19 | S | A | -2.1959 | |
| 20 | L | A | -1.4761 | |
| 21 | R | A | -2.0643 | |
| 22 | L | A | 0.0000 | |
| 23 | S | A | -0.5283 | |
| 24 | C | A | 0.0000 | |
| 25 | S | A | -0.5809 | |
| 26 | S | A | 0.0000 | |
| 27 | S | A | -0.4953 | |
| 28 | G | A | 0.0472 | |
| 29 | F | A | 0.7478 | |
| 30 | I | A | 1.4189 | |
| 31 | F | A | 0.0000 | |
| 32 | S | A | -0.8516 | |
| 33 | D | A | -0.8491 | |
| 34 | N | A | 0.0000 | |
| 35 | Y | A | -0.0705 | |
| 36 | M | A | 0.0000 | |
| 37 | Y | A | 0.0000 | |
| 38 | W | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | R | A | 0.0000 | |
| 41 | Q | A | -0.8448 | |
| 42 | A | A | 0.0000 | |
| 43 | P | A | -1.1746 | |
| 44 | G | A | -1.6317 | |
| 45 | K | A | -2.3535 | |
| 46 | G | A | -1.6353 | |
| 47 | L | A | 0.0000 | |
| 48 | E | A | -1.1031 | |
| 49 | W | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | A | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | D | A | -1.0404 | |
| 56 | G | A | -1.1558 | |
| 57 | G | A | -0.5039 | |
| 58 | S | A | 0.0228 | |
| 59 | Y | A | 1.0918 | |
| 60 | T | A | 0.8234 | |
| 61 | Y | A | 0.4172 | |
| 62 | Y | A | -0.6756 | |
| 63 | P | A | -1.6045 | |
| 64 | D | A | -2.7889 | |
| 65 | S | A | -1.7700 | |
| 66 | V | A | 0.0000 | |
| 67 | K | A | -2.5538 | |
| 68 | G | A | -1.7957 | |
| 69 | R | A | -1.5792 | |
| 70 | F | A | 0.0000 | |
| 71 | T | A | -0.8129 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -0.2236 | |
| 74 | R | A | -1.1232 | |
| 75 | D | A | -1.5693 | |
| 76 | N | A | -1.7870 | |
| 77 | S | A | -1.6225 | |
| 78 | K | A | -2.4756 | |
| 79 | N | A | -1.6309 | |
| 80 | T | A | -1.1956 | |
| 81 | L | A | 0.0000 | |
| 82 | F | A | -0.4384 | |
| 83 | L | A | 0.0000 | |
| 84 | Q | A | -1.2389 | |
| 85 | M | A | 0.0000 | |
| 86 | D | A | -2.1682 | |
| 87 | S | A | -1.9057 | |
| 88 | L | A | 0.0000 | |
| 89 | R | A | -2.3463 | |
| 90 | P | A | -1.8914 | |
| 91 | E | A | -2.2459 | |
| 92 | D | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | V | A | 0.0228 | |
| 96 | Y | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | C | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | R | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | Y | A | -0.1271 | |
| 103 | Y | A | -0.2995 | |
| 104 | R | A | -1.6331 | |
| 105 | Y | A | -1.1273 | |
| 106 | E | A | -1.6906 | |
| 107 | G | A | -0.6681 | |
| 108 | A | A | 0.0000 | |
| 109 | M | A | 0.0000 | |
| 110 | D | A | -0.0144 | |
| 111 | Y | A | 0.4213 | |
| 112 | W | A | -0.1414 | |
| 113 | G | A | 0.0000 | |
| 114 | Q | A | -1.2077 | |
| 115 | G | A | -0.5899 | |
| 116 | T | A | 0.0000 | |
| 117 | P | A | 0.0371 | |
| 118 | V | A | 0.0000 | |
| 119 | T | A | -0.0756 | |
| 120 | V | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | S | A | -1.2634 | |
| 123 | G | A | -0.9950 | |
| 124 | G | A | -1.0852 | |
| 125 | G | A | -1.0707 | |
| 126 | G | A | -1.0582 | |
| 127 | S | A | -0.9737 | |
| 128 | G | A | -1.0881 | |
| 129 | G | A | -1.1577 | |
| 130 | G | A | -1.2031 | |
| 131 | G | A | -1.1571 | |
| 132 | S | A | -1.1169 | |
| 133 | G | A | -1.1855 | |
| 134 | G | A | -1.6833 | |
| 135 | G | A | -1.4107 | |
| 136 | G | A | -1.8494 | |
| 137 | S | A | -1.8094 | |
| 138 | D | A | -2.8768 | |
| 139 | I | A | 0.0000 | |
| 140 | Q | A | -2.2669 | |
| 141 | L | A | 0.0000 | |
| 142 | T | A | -1.4170 | |
| 143 | Q | A | 0.0000 | |
| 144 | S | A | -0.7100 | |
| 145 | P | A | -0.5365 | |
| 146 | S | A | -0.9487 | |
| 147 | S | A | -1.1815 | |
| 148 | L | A | -0.9136 | |
| 149 | S | A | -1.2387 | |
| 150 | A | A | 0.0000 | |
| 151 | S | A | -0.7563 | |
| 152 | V | A | 0.0859 | |
| 153 | G | A | -0.8353 | |
| 154 | D | A | -1.6588 | |
| 155 | R | A | -2.3519 | |
| 156 | V | A | 0.0000 | |
| 157 | T | A | -0.5826 | |
| 158 | I | A | 0.0000 | |
| 159 | T | A | -0.8203 | |
| 160 | C | A | 0.0000 | |
| 161 | K | A | -2.6532 | |
| 162 | S | A | 0.0000 | |
| 163 | S | A | -2.0526 | |
| 164 | Q | A | -2.1664 | |
| 165 | S | A | -0.8585 | |
| 166 | V | A | 0.0000 | |
| 167 | L | A | 0.0654 | |
| 168 | Y | A | 0.3259 | |
| 169 | S | A | -0.4198 | |
| 170 | S | A | -0.6454 | |
| 171 | N | A | -1.1289 | |
| 172 | Q | A | -1.5092 | |
| 173 | K | A | -1.0809 | |
| 174 | N | A | -0.3897 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | W | A | 0.0000 | |
| 179 | Y | A | 0.0000 | |
| 180 | Q | A | 0.0000 | |
| 181 | Q | A | 0.0000 | |
| 182 | K | A | -1.3982 | |
| 183 | P | A | -1.2294 | |
| 184 | G | A | -1.5769 | |
| 185 | K | A | -1.9874 | |
| 186 | A | A | -1.1890 | |
| 187 | P | A | 0.0000 | |
| 188 | K | A | -1.1306 | |
| 189 | L | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | Y | A | -0.3420 | |
| 193 | W | A | -0.4706 | |
| 194 | A | A | 0.0000 | |
| 195 | S | A | -0.6130 | |
| 196 | T | A | -0.4689 | |
| 197 | R | A | -0.9211 | |
| 198 | E | A | -0.8516 | |
| 199 | S | A | -0.6610 | |
| 200 | G | A | -0.6823 | |
| 201 | V | A | -0.5932 | |
| 202 | P | A | -0.4988 | |
| 203 | S | A | -0.6034 | |
| 204 | R | A | -0.8550 | |
| 205 | F | A | 0.0000 | |
| 206 | S | A | -0.5600 | |
| 207 | G | A | -0.4342 | |
| 208 | S | A | -0.6695 | |
| 209 | G | A | -1.0841 | |
| 210 | S | A | -0.9402 | |
| 211 | G | A | -0.8873 | |
| 212 | T | A | -1.6284 | |
| 213 | D | A | -2.2016 | |
| 214 | F | A | 0.0000 | |
| 215 | T | A | -0.7593 | |
| 216 | F | A | 0.0000 | |
| 217 | T | A | -0.6179 | |
| 218 | I | A | 0.0000 | |
| 219 | S | A | -1.4874 | |
| 220 | S | A | -1.3159 | |
| 221 | L | A | 0.0000 | |
| 222 | Q | A | -0.7582 | |
| 223 | P | A | -0.7443 | |
| 224 | E | A | -1.1652 | |
| 225 | D | A | 0.0000 | |
| 226 | I | A | -0.6958 | |
| 227 | A | A | 0.0000 | |
| 228 | T | A | -1.0740 | |
| 229 | Y | A | 0.0000 | |
| 230 | Y | A | 0.0000 | |
| 231 | C | A | 0.0000 | |
| 232 | H | A | 0.0000 | |
| 233 | Q | A | 0.0000 | |
| 234 | Y | A | 0.0000 | |
| 235 | L | A | 0.2048 | |
| 236 | S | A | -0.2450 | |
| 237 | S | A | -0.5166 | |
| 238 | W | A | -0.2759 | |
| 239 | T | A | -0.7912 | |
| 240 | F | A | 0.0000 | |
| 241 | G | A | 0.0000 | |
| 242 | Q | A | -1.7842 | |
| 243 | G | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | K | A | -2.0982 | |
| 246 | L | A | 0.0000 | |
| 247 | E | A | -1.9553 | |
| 248 | I | A | -0.9643 | |
| 249 | K | A | -1.4694 | |
| 250 | A | A | -0.6679 | |
| 251 | A | A | -0.2551 | |
| 252 | A | A | -0.5319 | |
| 253 | G | A | -0.8199 | |
| 254 | G | A | -1.0073 | |
| 255 | G | A | -1.0880 | |
| 256 | G | A | -1.0630 | |
| 257 | S | A | -0.8750 | |
| 258 | G | A | -1.0021 | |
| 259 | G | A | -1.0667 | |
| 260 | G | A | -1.0712 | |
| 261 | G | A | -0.9897 | |
| 262 | S | A | -0.9247 | |
| 263 | G | A | -1.0636 | |
| 264 | G | A | -1.1093 | |
| 265 | G | A | -1.0496 | |
| 266 | G | A | -0.7694 | |
| 267 | S | A | -0.5857 | |
| 268 | M | A | -0.1778 | |
| 269 | Y | A | 0.0000 | |
| 270 | E | A | -1.8520 | |
| 271 | R | A | -1.9712 | |
| 272 | I | A | 0.0000 | |
| 273 | R | A | -2.3127 | |
| 274 | L | A | 0.0000 | |
| 275 | R | A | -2.3888 | |
| 276 | V | A | 0.0000 | |
| 277 | T | A | 0.0000 | |
| 278 | H | A | -2.3497 | |
| 279 | Q | A | -2.3418 | |
| 280 | T | A | 0.0000 | |
| 281 | T | A | -1.7699 | |
| 282 | G | A | 0.0000 | |
| 283 | E | A | -2.3634 | |
| 284 | E | A | -2.6944 | |
| 285 | Y | A | 0.0000 | |
| 286 | F | A | -1.4788 | |
| 287 | R | A | -2.2490 | |
| 288 | F | A | 0.0000 | |
| 289 | I | A | 0.0000 | |
| 290 | T | A | -1.0122 | |
| 291 | L | A | -0.5884 | |
| 292 | L | A | 0.0000 | |
| 293 | R | A | -1.0097 | |
| 294 | D | A | -1.6610 | |
| 295 | Y | A | -0.8297 | |
| 296 | V | A | 0.0000 | |
| 297 | S | A | -0.6701 | |
| 298 | S | A | -0.4205 | |
| 299 | G | A | -0.4168 | |
| 300 | S | A | 0.3655 | |
| 301 | F | A | 1.0099 | |
| 302 | S | A | -0.1135 | |
| 303 | N | A | -1.6391 | |
| 304 | E | A | -1.6527 | |
| 305 | I | A | 0.0000 | |
| 306 | P | A | -0.1296 | |
| 307 | L | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | R | A | -0.4241 | |
| 310 | Q | A | 0.1913 | |
| 311 | S | A | 0.1875 | |
| 312 | T | A | 0.7072 | |
| 313 | I | A | 1.3955 | |
| 314 | P | A | 0.2500 | |
| 315 | V | A | -0.2324 | |
| 316 | S | A | -0.6559 | |
| 317 | D | A | -1.3170 | |
| 318 | A | A | -0.9412 | |
| 319 | Q | A | -1.5897 | |
| 320 | R | A | -1.2838 | |
| 321 | F | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | V | A | 0.0000 | |
| 325 | E | A | -1.4171 | |
| 326 | L | A | 0.0000 | |
| 327 | T | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | Q | A | -2.1393 | |
| 330 | G | A | -1.3328 | |
| 331 | G | A | -1.3717 | |
| 332 | D | A | -0.7915 | |
| 333 | S | A | -0.9151 | |
| 334 | I | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | A | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | I | A | 0.0000 | |
| 339 | D | A | 0.0000 | |
| 340 | V | A | 0.0000 | |
| 341 | T | A | 0.0000 | |
| 342 | N | A | -0.0342 | |
| 343 | L | A | 0.0000 | |
| 344 | Y | A | 0.6253 | |
| 345 | V | A | 0.0000 | |
| 346 | V | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | Y | A | 0.0000 | |
| 349 | Q | A | -1.1219 | |
| 350 | A | A | 0.0000 | |
| 351 | G | A | -1.2673 | |
| 352 | D | A | -2.5993 | |
| 353 | Q | A | -2.1234 | |
| 354 | S | A | 0.0000 | |
| 355 | Y | A | -0.9799 | |
| 356 | F | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | R | A | -2.6947 | |
| 359 | D | A | -2.6885 | |
| 360 | A | A | -1.8180 | |
| 361 | P | A | -1.7932 | |
| 362 | R | A | -2.3842 | |
| 363 | G | A | -1.5150 | |
| 364 | A | A | 0.0000 | |
| 365 | E | A | -1.7538 | |
| 366 | T | A | -1.0322 | |
| 367 | H | A | -0.9065 | |
| 368 | L | A | 0.0000 | |
| 369 | F | A | -0.8842 | |
| 370 | T | A | -1.0216 | |
| 371 | G | A | -1.2011 | |
| 372 | T | A | -1.7272 | |
| 373 | T | A | -1.8464 | |
| 374 | R | A | -2.5867 | |
| 375 | S | A | -1.3203 | |
| 376 | S | A | -1.4108 | |
| 377 | L | A | 0.0000 | |
| 378 | P | A | -0.9570 | |
| 379 | F | A | 0.0000 | |
| 380 | N | A | -1.5396 | |
| 381 | G | A | -0.7135 | |
| 382 | S | A | -0.3628 | |
| 383 | Y | A | -0.6385 | |
| 384 | P | A | -1.0480 | |
| 385 | D | A | -1.1042 | |
| 386 | L | A | 0.0000 | |
| 387 | E | A | -2.1537 | |
| 388 | R | A | -2.4884 | |
| 389 | Y | A | -1.9352 | |
| 390 | A | A | 0.0000 | |
| 391 | G | A | -2.1009 | |
| 392 | H | A | -2.2977 | |
| 393 | R | A | -1.5938 | |
| 394 | D | A | -1.4899 | |
| 395 | Q | A | -1.8224 | |
| 396 | I | A | 0.0000 | |
| 397 | P | A | -0.4350 | |
| 398 | L | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | I | A | 0.0000 | |
| 401 | D | A | -1.9785 | |
| 402 | Q | A | -1.3558 | |
| 403 | L | A | 0.0000 | |
| 404 | I | A | -1.4810 | |
| 405 | Q | A | -1.5885 | |
| 406 | S | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | T | A | -0.4492 | |
| 409 | A | A | -0.2097 | |
| 410 | L | A | 0.0000 | |
| 411 | R | A | -0.1320 | |
| 412 | F | A | 1.2642 | |
| 413 | P | A | 0.2234 | |
| 414 | G | A | -0.2438 | |
| 415 | G | A | -0.7537 | |
| 416 | S | A | -1.1819 | |
| 417 | T | A | -1.3188 | |
| 418 | R | A | -2.4877 | |
| 419 | T | A | -1.4312 | |
| 420 | Q | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | R | A | -1.5534 | |
| 423 | S | A | 0.0000 | |
| 424 | I | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | I | A | 0.0000 | |
| 427 | L | A | 0.0000 | |
| 428 | I | A | 0.0000 | |
| 429 | Q | A | 0.0000 | |
| 430 | M | A | 0.0000 | |
| 431 | I | A | 0.0000 | |
| 432 | S | A | 0.0000 | |
| 433 | E | A | 0.0000 | |
| 434 | A | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | R | A | 0.0000 | |
| 437 | F | A | 0.0000 | |
| 438 | N | A | -0.1382 | |
| 439 | P | A | -0.1827 | |
| 440 | I | A | 0.0000 | |
| 441 | L | A | 0.0000 | |
| 442 | W | A | -0.4000 | |
| 443 | R | A | -0.8769 | |
| 444 | A | A | 0.0000 | |
| 445 | R | A | -1.3444 | |
| 446 | Q | A | -1.7706 | |
| 447 | Y | A | -0.8972 | |
| 448 | I | A | 0.0000 | |
| 449 | N | A | -2.1365 | |
| 450 | S | A | -1.1814 | |
| 451 | G | A | -1.5553 | |
| 452 | A | A | -0.7696 | |
| 453 | S | A | -0.4227 | |
| 454 | F | A | 0.0000 | |
| 455 | L | A | 0.3339 | |
| 456 | P | A | 0.0000 | |
| 457 | D | A | -0.0519 | |
| 458 | V | A | 0.7988 | |
| 459 | Y | A | 0.6967 | |
| 460 | M | A | 0.0000 | |
| 461 | L | A | 0.2257 | |
| 462 | E | A | -0.1833 | |
| 463 | L | A | 0.0000 | |
| 464 | E | A | 0.0000 | |
| 465 | T | A | -0.2486 | |
| 466 | S | A | 0.0000 | |
| 467 | W | A | 0.0000 | |
| 468 | G | A | -0.4647 | |
| 469 | Q | A | -1.0679 | |
| 470 | Q | A | 0.0000 | |
| 471 | S | A | 0.0000 | |
| 472 | T | A | -0.5211 | |
| 473 | Q | A | 0.0000 | |
| 474 | V | A | 0.0000 | |
| 475 | Q | A | -0.0954 | |
| 476 | H | A | -0.9167 | |
| 477 | S | A | -0.7765 | |
| 478 | T | A | -0.7490 | |
| 479 | D | A | -1.4721 | |
| 480 | G | A | -0.9092 | |
| 481 | V | A | 0.2655 | |
| 482 | F | A | 0.0000 | |
| 483 | N | A | -1.6228 | |
| 484 | N | A | -2.1192 | |
| 485 | P | A | -1.5241 | |
| 486 | I | A | 0.0000 | |
| 487 | R | A | -1.7513 | |
| 488 | L | A | 0.0000 | |
| 489 | A | A | 0.1903 | |
| 490 | I | A | 0.4079 | |
| 491 | P | A | -0.1573 | |
| 492 | P | A | -0.4286 | |
| 493 | G | A | -0.5026 | |
| 494 | N | A | -0.2874 | |
| 495 | F | A | 0.5557 | |
| 496 | V | A | 0.0000 | |
| 497 | T | A | -0.7619 | |
| 498 | L | A | 0.0000 | |
| 499 | T | A | -0.9473 | |
| 500 | N | A | -0.6275 | |
| 501 | V | A | 0.0000 | |
| 502 | R | A | -1.8960 | |
| 503 | D | A | 0.0000 | |
| 504 | V | A | 0.0000 | |
| 505 | I | A | -0.7762 | |
| 506 | A | A | -0.2536 | |
| 507 | S | A | 0.0000 | |
| 508 | L | A | 0.0000 | |
| 509 | A | A | -0.2039 | |
| 510 | I | A | 0.0000 | |
| 511 | M | A | 0.0000 | |
| 512 | L | A | 0.3634 | |
| 513 | F | A | 0.8280 | |
| 514 | V | A | 0.3879 | |
| 515 | C | A | -0.0891 | |
| 516 | G | A | -1.5167 | |
| 517 | E | A | -2.8628 | |
| 518 | R | A | -2.9504 | |
| 519 | P | A | -1.8278 | |
| 520 | S | A | -1.1543 |
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 | -0.5579 | 3.7431 | View | CSV | PDB |
| 4.5 | -0.5966 | 3.7364 | View | CSV | PDB |
| 5.0 | -0.6411 | 3.7287 | View | CSV | PDB |
| 5.5 | -0.6849 | 3.7207 | View | CSV | PDB |
| 6.0 | -0.7216 | 3.7126 | View | CSV | PDB |
| 6.5 | -0.7468 | 3.7045 | View | CSV | PDB |
| 7.0 | -0.761 | 3.6964 | View | CSV | PDB |
| 7.5 | -0.7684 | 3.6884 | View | CSV | PDB |
| 8.0 | -0.7715 | 3.6809 | View | CSV | PDB |
| 8.5 | -0.7697 | 3.6742 | View | CSV | PDB |
| 9.0 | -0.7614 | 3.6695 | 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