| Chain sequence(s) |
A: MEAPEYLDLDEIDFSDDISYSVTSLKTIPELCRRCDTQNEDRSVSSSSWNCGISTLITNTQKPTGIADVYSKFRPVKRVSPLKHQPETLENNESDDQKNQKVVEYQKGGESDLGPQPQELGPGDGVGGPPGKSSEPSTSLGELEHYDLDMDEILDVPYIKSSQQLASFTKVTSEKRILGLCTTINGLSGKACSTGSSESSSSNMAPFCVLSPVKSPHLRKASAVIHDQHKLSTEETEISPPLVKCGSAYEPENQSKDFLNKTFSDPHGRKVEKTTPDCQLRAFHLQSSAAESKPEEQVSGLNRTSSQGPEERSEYLKKVKSILNIVKEGQISLLPHLAADNLDKIHDENGNNLLHIAASQGHAECLQHLTSLMGEDCLNERNTEKLTPAGLAIKNGQLECVRWMVSETEAIAELSCSKDFPSLIHYAGCYGQEKILLWLLQFMQEQGISLDEVDQDGNSAVHVASQHGYLGCIQTLVEYGANVTMQNHAGEKPSQSAERQGHTLCSRYLVVVETCMSLASQVVKLTKQLKEQTVERVTLQNQLQQFLEAQKSEGKSLPSSPSSPSSPASRKSQWKSPDADDDSVAKSKPGVQEGIQVLGSLSASSRARPKAKDEDSDKILRQLLGKEISENVCTQEKLSLEFQDAQASSRNSKKIPLEKRELKLARLRQLMQRSLSESDTDSNNSEDPKTTPVRKADRPRPQPIVESVESMDSAESLHLMIKKHTLASGGRRFPFSIKASKSLDGHSPSPTSESSEPDLESQYPGSGSIPPNQPSGDPQQPSPDSTAAQKVATSPKSALKSPSSKRRTSQNLKLRVTFEEPVVQMEQPSLELNGEKDKDKGRTLQRTSTSNESGDQLKRPFGAFRSIMETLSGNQNNNNNYQAANQLKTSTLPLTSLGRKTDAKGNPASSASKGKNKAA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:04)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d249da9bc479a9d/tmp/folded.pdb (00:08:28)
[INFO] Movie: Creting movie with webm format (00:12:29)
[CRITICAL] ffmpeg: OSError while launching ffmpeg. Perhaps it's not installed? (00:12:29)
[INFO] Main: Simulation completed successfully. (00:13:43)
|
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 | 0.1437 | |
| 2 | E | A | -1.5700 | |
| 3 | A | A | -1.0054 | |
| 4 | P | A | -0.9012 | |
| 5 | E | A | -1.3269 | |
| 6 | Y | A | 0.8690 | |
| 7 | L | A | 0.8064 | |
| 8 | D | A | -0.8464 | |
| 9 | L | A | 0.1120 | |
| 10 | D | A | -2.0357 | |
| 11 | E | A | -1.7989 | |
| 12 | I | A | 0.1806 | |
| 13 | D | A | -0.9685 | |
| 14 | F | A | 0.3978 | |
| 15 | S | A | -0.7625 | |
| 16 | D | A | -1.9198 | |
| 17 | D | A | -1.3085 | |
| 18 | I | A | 0.8432 | |
| 19 | S | A | 0.7902 | |
| 20 | Y | A | 1.8425 | |
| 21 | S | A | 1.4166 | |
| 22 | V | A | 2.1252 | |
| 23 | T | A | 0.8594 | |
| 24 | S | A | 0.4320 | |
| 25 | L | A | 1.1464 | |
| 26 | K | A | -0.5584 | |
| 27 | T | A | 0.1235 | |
| 28 | I | A | 1.3165 | |
| 29 | P | A | 0.1258 | |
| 30 | E | A | -0.6966 | |
| 31 | L | A | 0.6288 | |
| 32 | C | A | -0.2901 | |
| 33 | R | A | -2.1451 | |
| 34 | R | A | -2.4640 | |
| 35 | C | A | -1.5249 | |
| 36 | D | A | -2.0556 | |
| 37 | T | A | -1.6255 | |
| 38 | Q | A | -2.7156 | |
| 39 | N | A | -3.1857 | |
| 40 | E | A | -3.9289 | |
| 41 | D | A | -3.8649 | |
| 42 | R | A | -2.8048 | |
| 43 | S | A | -0.8478 | |
| 44 | V | A | 1.1153 | |
| 45 | S | A | 0.4974 | |
| 46 | S | A | -0.0990 | |
| 47 | S | A | -0.3388 | |
| 48 | S | A | -0.0857 | |
| 49 | W | A | 0.5270 | |
| 50 | N | A | -0.3305 | |
| 51 | C | A | 0.5338 | |
| 52 | G | A | 0.6767 | |
| 53 | I | A | 1.7037 | |
| 54 | S | A | 1.0442 | |
| 55 | T | A | 1.3884 | |
| 56 | L | A | 2.5607 | |
| 57 | I | A | 2.5527 | |
| 58 | T | A | 0.4463 | |
| 59 | N | A | -1.1810 | |
| 60 | T | A | -1.6573 | |
| 61 | Q | A | -2.3890 | |
| 62 | K | A | -2.4793 | |
| 63 | P | A | -1.1908 | |
| 64 | T | A | -0.5697 | |
| 65 | G | A | 0.0341 | |
| 66 | I | A | 1.5660 | |
| 67 | A | A | 0.6720 | |
| 68 | D | A | -0.1231 | |
| 69 | V | A | 1.5493 | |
| 70 | Y | A | 1.4275 | |
| 71 | S | A | 0.1608 | |
| 72 | K | A | -0.8038 | |
| 73 | F | A | 0.5445 | |
| 74 | R | A | -1.2557 | |
| 75 | P | A | -0.7185 | |
| 76 | V | A | 0.3257 | |
| 77 | K | A | -1.5924 | |
| 78 | R | A | -1.4290 | |
| 79 | V | A | 0.7285 | |
| 80 | S | A | 0.0575 | |
| 81 | P | A | 0.0362 | |
| 82 | L | A | 0.4256 | |
| 83 | K | A | -1.8017 | |
| 84 | H | A | -2.2828 | |
| 85 | Q | A | -2.4966 | |
| 86 | P | A | -1.9666 | |
| 87 | E | A | -2.0749 | |
| 88 | T | A | -0.8277 | |
| 89 | L | A | -0.0952 | |
| 90 | E | A | -1.9408 | |
| 91 | N | A | -2.8708 | |
| 92 | N | A | -3.3391 | |
| 93 | E | A | -3.2852 | |
| 94 | S | A | -2.7146 | |
| 95 | D | A | -3.3875 | |
| 96 | D | A | -3.7057 | |
| 97 | Q | A | -3.6824 | |
| 98 | K | A | -3.5986 | |
| 99 | N | A | -3.3743 | |
| 100 | Q | A | -2.6615 | |
| 101 | K | A | -1.3877 | |
| 102 | V | A | 1.1134 | |
| 103 | V | A | 1.6894 | |
| 104 | E | A | -0.1732 | |
| 105 | Y | A | -0.0726 | |
| 106 | Q | A | -1.8628 | |
| 107 | K | A | -2.3387 | |
| 108 | G | A | -2.1519 | |
| 109 | G | A | -2.2254 | |
| 110 | E | A | -2.6760 | |
| 111 | S | A | -1.8690 | |
| 112 | D | A | -1.7397 | |
| 113 | L | A | 0.2281 | |
| 114 | G | A | -0.4338 | |
| 115 | P | A | -0.8154 | |
| 116 | Q | A | -1.6616 | |
| 117 | P | A | -1.9681 | |
| 118 | Q | A | -2.2354 | |
| 119 | E | A | -1.8944 | |
| 120 | L | A | 0.1093 | |
| 121 | G | A | -0.1740 | |
| 122 | P | A | -0.7460 | |
| 123 | G | A | -1.7615 | |
| 124 | D | A | -1.9811 | |
| 125 | G | A | -0.6439 | |
| 126 | V | A | 0.8705 | |
| 127 | G | A | 0.0588 | |
| 128 | G | A | -0.5157 | |
| 129 | P | A | -0.8004 | |
| 130 | P | A | -1.0402 | |
| 131 | G | A | -1.5104 | |
| 132 | K | A | -2.1209 | |
| 133 | S | A | -1.6336 | |
| 134 | S | A | -1.6574 | |
| 135 | E | A | -2.1788 | |
| 136 | P | A | -1.4466 | |
| 137 | S | A | -0.7106 | |
| 138 | T | A | -0.1042 | |
| 139 | S | A | 0.1106 | |
| 140 | L | A | 0.8620 | |
| 141 | G | A | -0.4776 | |
| 142 | E | A | -1.5550 | |
| 143 | L | A | -0.2195 | |
| 144 | E | A | -2.0059 | |
| 145 | H | A | -1.4525 | |
| 146 | Y | A | -0.2799 | |
| 147 | D | A | -1.5390 | |
| 148 | L | A | -0.6807 | |
| 149 | D | A | -2.0943 | |
| 150 | M | A | -0.9835 | |
| 151 | D | A | -2.3443 | |
| 152 | E | A | -2.1394 | |
| 153 | I | A | -0.0393 | |
| 154 | L | A | 0.8008 | |
| 155 | D | A | -0.6007 | |
| 156 | V | A | 1.8502 | |
| 157 | P | A | 1.3440 | |
| 158 | Y | A | 2.0497 | |
| 159 | I | A | 1.8966 | |
| 160 | K | A | -0.7071 | |
| 161 | S | A | -0.9079 | |
| 162 | S | A | -1.2728 | |
| 163 | Q | A | -1.7277 | |
| 164 | Q | A | -1.1244 | |
| 165 | L | A | 0.7709 | |
| 166 | A | A | 0.7142 | |
| 167 | S | A | 0.7644 | |
| 168 | F | A | 1.8352 | |
| 169 | T | A | 0.4496 | |
| 170 | K | A | -0.4150 | |
| 171 | V | A | 0.9300 | |
| 172 | T | A | -0.1130 | |
| 173 | S | A | -1.1078 | |
| 174 | E | A | -2.9431 | |
| 175 | K | A | -3.1267 | |
| 176 | R | A | -1.6658 | |
| 177 | I | A | 1.4214 | |
| 178 | L | A | 2.2159 | |
| 179 | G | A | 1.5929 | |
| 180 | L | A | 2.0113 | |
| 181 | C | A | 1.4264 | |
| 182 | T | A | 0.9988 | |
| 183 | T | A | 0.7745 | |
| 184 | I | A | 1.2511 | |
| 185 | N | A | -0.2593 | |
| 186 | G | A | -0.0729 | |
| 187 | L | A | 0.8505 | |
| 188 | S | A | -0.1806 | |
| 189 | G | A | -1.0420 | |
| 190 | K | A | -1.8031 | |
| 191 | A | A | -0.5564 | |
| 192 | C | A | 0.3032 | |
| 193 | S | A | 0.0808 | |
| 194 | T | A | -0.2942 | |
| 195 | G | A | -0.6875 | |
| 196 | S | A | -0.9602 | |
| 197 | S | A | -1.5114 | |
| 198 | E | A | -2.1344 | |
| 199 | S | A | -1.2821 | |
| 200 | S | A | -1.0254 | |
| 201 | S | A | -0.7514 | |
| 202 | S | A | -0.7270 | |
| 203 | N | A | -0.9314 | |
| 204 | M | A | 0.3654 | |
| 205 | A | A | 0.5923 | |
| 206 | P | A | 1.1010 | |
| 207 | F | A | 2.5507 | |
| 208 | C | A | 2.8212 | |
| 209 | V | A | 3.2476 | |
| 210 | L | A | 2.4011 | |
| 211 | S | A | 1.1176 | |
| 212 | P | A | 0.4849 | |
| 213 | V | A | 0.7565 | |
| 214 | K | A | -1.0783 | |
| 215 | S | A | -1.0498 | |
| 216 | P | A | -0.8808 | |
| 217 | H | A | -0.7463 | |
| 218 | L | A | -0.2684 | |
| 219 | R | A | -2.1846 | |
| 220 | K | A | -2.3507 | |
| 221 | A | A | -1.2584 | |
| 222 | S | A | -0.1181 | |
| 223 | A | A | 1.3683 | |
| 224 | V | A | 2.4841 | |
| 225 | I | A | 1.9254 | |
| 226 | H | A | -0.5611 | |
| 227 | D | A | -2.5833 | |
| 228 | Q | A | -3.0912 | |
| 229 | H | A | -2.5280 | |
| 230 | K | A | -1.8245 | |
| 231 | L | A | 0.4194 | |
| 232 | S | A | -0.1126 | |
| 233 | T | A | -1.2204 | |
| 234 | E | A | -2.7901 | |
| 235 | E | A | -3.1494 | |
| 236 | T | A | -1.8240 | |
| 237 | E | A | -1.2976 | |
| 238 | I | A | 0.9341 | |
| 239 | S | A | 0.1909 | |
| 240 | P | A | 0.2692 | |
| 241 | P | A | 0.7586 | |
| 242 | L | A | 1.8954 | |
| 243 | V | A | 1.7352 | |
| 244 | K | A | -0.3237 | |
| 245 | C | A | -0.0709 | |
| 246 | G | A | -0.4111 | |
| 247 | S | A | -0.3155 | |
| 248 | A | A | 0.1199 | |
| 249 | Y | A | 0.2821 | |
| 250 | E | A | -1.5778 | |
| 251 | P | A | -1.9923 | |
| 252 | E | A | -3.2241 | |
| 253 | N | A | -2.9456 | |
| 254 | Q | A | -2.6549 | |
| 255 | S | A | -2.3180 | |
| 256 | K | A | -2.6357 | |
| 257 | D | A | -1.5754 | |
| 258 | F | A | 1.2378 | |
| 259 | L | A | 1.1416 | |
| 260 | N | A | -0.8336 | |
| 261 | K | A | -1.6296 | |
| 262 | T | A | -0.3903 | |
| 263 | F | A | 1.0638 | |
| 264 | S | A | -0.1065 | |
| 265 | D | A | -1.8144 | |
| 266 | P | A | -1.8411 | |
| 267 | H | A | -2.1343 | |
| 268 | G | A | -2.3138 | |
| 269 | R | A | -3.0466 | |
| 270 | K | A | -2.4036 | |
| 271 | V | A | -0.7627 | |
| 272 | E | A | -2.2911 | |
| 273 | K | A | -2.2427 | |
| 274 | T | A | -1.4649 | |
| 275 | T | A | -1.1128 | |
| 276 | P | A | -1.1562 | |
| 277 | D | A | -1.8039 | |
| 278 | C | A | -0.8684 | |
| 279 | Q | A | -1.2743 | |
| 280 | L | A | 0.1857 | |
| 281 | R | A | -0.9688 | |
| 282 | A | A | 0.0904 | |
| 283 | F | A | 1.4127 | |
| 284 | H | A | 0.1287 | |
| 285 | L | A | 0.8833 | |
| 286 | Q | A | -0.6138 | |
| 287 | S | A | -0.6182 | |
| 288 | S | A | -0.5695 | |
| 289 | A | A | -0.6668 | |
| 290 | A | A | -1.0978 | |
| 291 | E | A | -2.3292 | |
| 292 | S | A | -2.1704 | |
| 293 | K | A | -2.9709 | |
| 294 | P | A | -2.7953 | |
| 295 | E | A | -3.5314 | |
| 296 | E | A | -3.1193 | |
| 297 | Q | A | -1.7265 | |
| 298 | V | A | 0.7332 | |
| 299 | S | A | 0.1346 | |
| 300 | G | A | 0.3960 | |
| 301 | L | A | 0.4438 | |
| 302 | N | A | -1.6714 | |
| 303 | R | A | -2.2831 | |
| 304 | T | A | -1.5704 | |
| 305 | S | A | -1.2493 | |
| 306 | S | A | -1.1849 | |
| 307 | Q | A | -2.5685 | |
| 308 | G | A | -2.4881 | |
| 309 | P | A | -2.8361 | |
| 310 | E | A | -3.7484 | |
| 311 | E | A | -4.0953 | |
| 312 | R | A | -3.8018 | |
| 313 | S | A | -2.9346 | |
| 314 | E | A | -3.6289 | |
| 315 | Y | A | -1.7501 | |
| 316 | L | A | -1.4818 | |
| 317 | K | A | -2.9061 | |
| 318 | K | A | -2.1157 | |
| 319 | V | A | 0.0000 | |
| 320 | K | A | -2.7593 | |
| 321 | S | A | -1.6754 | |
| 322 | I | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | N | A | -2.6891 | |
| 325 | I | A | -1.6032 | |
| 326 | V | A | 0.0000 | |
| 327 | K | A | -2.6253 | |
| 328 | E | A | -2.9751 | |
| 329 | G | A | -2.0907 | |
| 330 | Q | A | -1.5740 | |
| 331 | I | A | -0.6802 | |
| 332 | S | A | 0.0256 | |
| 333 | L | A | 0.5461 | |
| 334 | L | A | 0.0000 | |
| 335 | P | A | -0.2753 | |
| 336 | H | A | -0.6019 | |
| 337 | L | A | -0.2915 | |
| 338 | A | A | -0.4075 | |
| 339 | A | A | -1.3372 | |
| 340 | D | A | -2.3352 | |
| 341 | N | A | -2.4409 | |
| 342 | L | A | -1.6050 | |
| 343 | D | A | -2.4811 | |
| 344 | K | A | -2.8977 | |
| 345 | I | A | 0.0000 | |
| 346 | H | A | -2.5504 | |
| 347 | D | A | -2.2776 | |
| 348 | E | A | -2.7605 | |
| 349 | N | A | -2.4940 | |
| 350 | G | A | -2.2620 | |
| 351 | N | A | 0.0000 | |
| 352 | N | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | L | A | 0.0000 | |
| 355 | H | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | A | A | 0.0000 | |
| 358 | A | A | 0.0000 | |
| 359 | S | A | -1.1061 | |
| 360 | Q | A | -1.7203 | |
| 361 | G | A | -1.5159 | |
| 362 | H | A | -1.9409 | |
| 363 | A | A | -1.9757 | |
| 364 | E | A | -2.5294 | |
| 365 | C | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | Q | A | -1.5988 | |
| 368 | H | A | -1.2163 | |
| 369 | L | A | 0.0000 | |
| 370 | T | A | 0.0000 | |
| 371 | S | A | -0.1622 | |
| 372 | L | A | 0.6359 | |
| 373 | M | A | -0.7604 | |
| 374 | G | A | -1.0686 | |
| 375 | E | A | -2.6186 | |
| 376 | D | A | -3.2888 | |
| 377 | C | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | N | A | -2.8665 | |
| 380 | E | A | -2.7721 | |
| 381 | R | A | -2.1385 | |
| 382 | N | A | 0.0000 | |
| 383 | T | A | -1.6735 | |
| 384 | E | A | -1.8126 | |
| 385 | K | A | -2.3214 | |
| 386 | L | A | 0.0000 | |
| 387 | T | A | 0.0000 | |
| 388 | P | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | G | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | I | A | 0.0000 | |
| 394 | K | A | -1.3622 | |
| 395 | N | A | -1.5921 | |
| 396 | G | A | -1.5856 | |
| 397 | Q | A | -1.6927 | |
| 398 | L | A | -1.5337 | |
| 399 | E | A | -2.4248 | |
| 400 | C | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | R | A | -2.0157 | |
| 403 | W | A | -1.6874 | |
| 404 | M | A | 0.0000 | |
| 405 | V | A | 0.0000 | |
| 406 | S | A | -1.3190 | |
| 407 | E | A | -2.1480 | |
| 408 | T | A | -1.5968 | |
| 409 | E | A | -1.9258 | |
| 410 | A | A | 0.0000 | |
| 411 | I | A | -0.5513 | |
| 412 | A | A | -0.3326 | |
| 413 | E | A | -0.3179 | |
| 414 | L | A | 0.0000 | |
| 415 | S | A | -0.1796 | |
| 416 | C | A | -0.6607 | |
| 417 | S | A | -1.4740 | |
| 418 | K | A | -2.7673 | |
| 419 | D | A | -2.8242 | |
| 420 | F | A | -1.3941 | |
| 421 | P | A | -0.7160 | |
| 422 | S | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | I | A | 0.0000 | |
| 425 | H | A | 0.0000 | |
| 426 | Y | A | 0.0000 | |
| 427 | A | A | 0.0000 | |
| 428 | G | A | 0.0000 | |
| 429 | C | A | 0.2564 | |
| 430 | Y | A | -0.1566 | |
| 431 | G | A | -0.6118 | |
| 432 | Q | A | -1.3210 | |
| 433 | E | A | -1.7412 | |
| 434 | K | A | -1.9359 | |
| 435 | I | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | L | A | -0.2759 | |
| 438 | W | A | -0.5669 | |
| 439 | L | A | 0.0000 | |
| 440 | L | A | 0.0000 | |
| 441 | Q | A | -1.4096 | |
| 442 | F | A | -1.2458 | |
| 443 | M | A | 0.0000 | |
| 444 | Q | A | -2.2581 | |
| 445 | E | A | -2.3901 | |
| 446 | Q | A | -1.7776 | |
| 447 | G | A | -1.3458 | |
| 448 | I | A | -0.7619 | |
| 449 | S | A | -0.6596 | |
| 450 | L | A | -0.6806 | |
| 451 | D | A | -1.0307 | |
| 452 | E | A | -0.4004 | |
| 453 | V | A | 0.0924 | |
| 454 | D | A | -1.0876 | |
| 455 | Q | A | -1.9734 | |
| 456 | D | A | -1.0270 | |
| 457 | G | A | -1.1010 | |
| 458 | N | A | -0.9216 | |
| 459 | S | A | 0.0000 | |
| 460 | A | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | H | A | 0.0000 | |
| 463 | V | A | 0.1373 | |
| 464 | A | A | 0.0000 | |
| 465 | S | A | 0.0000 | |
| 466 | Q | A | -1.3331 | |
| 467 | H | A | -0.2699 | |
| 468 | G | A | -0.2389 | |
| 469 | Y | A | 0.3790 | |
| 470 | L | A | 0.3875 | |
| 471 | G | A | -0.5569 | |
| 472 | C | A | 0.0000 | |
| 473 | I | A | 0.0000 | |
| 474 | Q | A | -1.1239 | |
| 475 | T | A | 0.0000 | |
| 476 | L | A | 0.0000 | |
| 477 | V | A | -1.0498 | |
| 478 | E | A | -1.7937 | |
| 479 | Y | A | -0.9911 | |
| 480 | G | A | -1.1004 | |
| 481 | A | A | 0.0000 | |
| 482 | N | A | -0.8798 | |
| 483 | V | A | 0.0000 | |
| 484 | T | A | -0.4530 | |
| 485 | M | A | -0.8569 | |
| 486 | Q | A | -1.9464 | |
| 487 | N | A | -1.5929 | |
| 488 | H | A | -1.8333 | |
| 489 | A | A | -0.9931 | |
| 490 | G | A | -1.3188 | |
| 491 | E | A | -1.5963 | |
| 492 | K | A | -1.4044 | |
| 493 | P | A | 0.0000 | |
| 494 | S | A | 0.0000 | |
| 495 | Q | A | -2.3899 | |
| 496 | S | A | 0.0000 | |
| 497 | A | A | 0.0000 | |
| 498 | E | A | -3.6188 | |
| 499 | R | A | -3.5878 | |
| 500 | Q | A | -2.9198 | |
| 501 | G | A | -2.2119 | |
| 502 | H | A | -1.5526 | |
| 503 | T | A | -1.0621 | |
| 504 | L | A | 0.7699 | |
| 505 | C | A | 0.0000 | |
| 506 | S | A | 0.0000 | |
| 507 | R | A | -0.9873 | |
| 508 | Y | A | 0.3320 | |
| 509 | L | A | 0.0000 | |
| 510 | V | A | 1.0152 | |
| 511 | V | A | 1.0192 | |
| 512 | V | A | 0.8266 | |
| 513 | E | A | 0.5483 | |
| 514 | T | A | 0.9071 | |
| 515 | C | A | 0.9940 | |
| 516 | M | A | 0.8297 | |
| 517 | S | A | 0.4784 | |
| 518 | L | A | 1.1789 | |
| 519 | A | A | 1.0759 | |
| 520 | S | A | 0.4810 | |
| 521 | Q | A | 0.0394 | |
| 522 | V | A | 1.4330 | |
| 523 | V | A | 1.2905 | |
| 524 | K | A | -0.9196 | |
| 525 | L | A | 0.2126 | |
| 526 | T | A | -0.4931 | |
| 527 | K | A | -2.4387 | |
| 528 | Q | A | -1.8228 | |
| 529 | L | A | -0.7946 | |
| 530 | K | A | -3.1124 | |
| 531 | E | A | -3.3424 | |
| 532 | Q | A | -2.5729 | |
| 533 | T | A | -1.6023 | |
| 534 | V | A | -1.1384 | |
| 535 | E | A | -2.5057 | |
| 536 | R | A | -2.4475 | |
| 537 | V | A | -0.3386 | |
| 538 | T | A | -0.7557 | |
| 539 | L | A | -0.4338 | |
| 540 | Q | A | -1.4782 | |
| 541 | N | A | -2.0064 | |
| 542 | Q | A | -1.4533 | |
| 543 | L | A | -0.0677 | |
| 544 | Q | A | -1.5765 | |
| 545 | Q | A | -1.8796 | |
| 546 | F | A | 0.0669 | |
| 547 | L | A | -0.7461 | |
| 548 | E | A | -2.5989 | |
| 549 | A | A | -1.9232 | |
| 550 | Q | A | -2.9243 | |
| 551 | K | A | -3.6474 | |
| 552 | S | A | -3.2575 | |
| 553 | E | A | -3.5955 | |
| 554 | G | A | -2.7902 | |
| 555 | K | A | -2.7604 | |
| 556 | S | A | -1.0563 | |
| 557 | L | A | 0.4311 | |
| 558 | P | A | 0.0466 | |
| 559 | S | A | -0.1842 | |
| 560 | S | A | -0.3810 | |
| 561 | P | A | -0.5932 | |
| 562 | S | A | -0.5735 | |
| 563 | S | A | -0.5694 | |
| 564 | P | A | -0.5504 | |
| 565 | S | A | -0.5427 | |
| 566 | S | A | -0.4976 | |
| 567 | P | A | -0.4305 | |
| 568 | A | A | -0.6014 | |
| 569 | S | A | -1.6001 | |
| 570 | R | A | -2.8234 | |
| 571 | K | A | -3.0364 | |
| 572 | S | A | -2.1545 | |
| 573 | Q | A | -1.5310 | |
| 574 | W | A | -0.4540 | |
| 575 | K | A | -1.6135 | |
| 576 | S | A | -1.4989 | |
| 577 | P | A | -1.5918 | |
| 578 | D | A | -2.3324 | |
| 579 | A | A | -2.0930 | |
| 580 | D | A | -3.4025 | |
| 581 | D | A | -3.5839 | |
| 582 | D | A | -2.8181 | |
| 583 | S | A | -0.5444 | |
| 584 | V | A | 0.9933 | |
| 585 | A | A | -0.0489 | |
| 586 | K | A | -1.7358 | |
| 587 | S | A | -1.9645 | |
| 588 | K | A | -2.1917 | |
| 589 | P | A | -1.0792 | |
| 590 | G | A | -0.3577 | |
| 591 | V | A | 0.3287 | |
| 592 | Q | A | -1.5513 | |
| 593 | E | A | -1.8850 | |
| 594 | G | A | -0.8244 | |
| 595 | I | A | 1.3441 | |
| 596 | Q | A | 1.0333 | |
| 597 | V | A | 2.2556 | |
| 598 | L | A | 2.1240 | |
| 599 | G | A | 0.8365 | |
| 600 | S | A | 0.5646 | |
| 601 | L | A | 1.2494 | |
| 602 | S | A | 0.5294 | |
| 603 | A | A | 0.1057 | |
| 604 | S | A | -0.7348 | |
| 605 | S | A | -1.1911 | |
| 606 | R | A | -2.3372 | |
| 607 | A | A | -1.9605 | |
| 608 | R | A | -2.7407 | |
| 609 | P | A | -2.3524 | |
| 610 | K | A | -3.2820 | |
| 611 | A | A | -3.0156 | |
| 612 | K | A | -4.0372 | |
| 613 | D | A | -4.6834 | |
| 614 | E | A | -4.8173 | |
| 615 | D | A | -4.2767 | |
| 616 | S | A | -3.1186 | |
| 617 | D | A | -3.3792 | |
| 618 | K | A | -3.3703 | |
| 619 | I | A | -0.6877 | |
| 620 | L | A | -0.6880 | |
| 621 | R | A | -1.8681 | |
| 622 | Q | A | -1.0071 | |
| 623 | L | A | 1.1286 | |
| 624 | L | A | 0.7201 | |
| 625 | G | A | -0.8623 | |
| 626 | K | A | -2.8825 | |
| 627 | E | A | -2.4762 | |
| 628 | I | A | -0.0568 | |
| 629 | S | A | 0.0000 | |
| 630 | E | A | -2.6559 | |
| 631 | N | A | -2.3143 | |
| 632 | V | A | -1.1768 | |
| 633 | C | A | -1.5292 | |
| 634 | T | A | -2.1685 | |
| 635 | Q | A | -2.5334 | |
| 636 | E | A | -2.8736 | |
| 637 | K | A | -2.2399 | |
| 638 | L | A | -0.7512 | |
| 639 | S | A | -0.7622 | |
| 640 | L | A | -0.2266 | |
| 641 | E | A | -1.2971 | |
| 642 | F | A | 0.2228 | |
| 643 | Q | A | -1.5752 | |
| 644 | D | A | -2.3915 | |
| 645 | A | A | -1.6135 | |
| 646 | Q | A | -1.9512 | |
| 647 | A | A | -1.5513 | |
| 648 | S | A | -1.4970 | |
| 649 | S | A | -1.9438 | |
| 650 | R | A | -3.1685 | |
| 651 | N | A | -3.0161 | |
| 652 | S | A | -2.2516 | |
| 653 | K | A | -2.7889 | |
| 654 | K | A | -2.2477 | |
| 655 | I | A | -0.5116 | |
| 656 | P | A | -1.2208 | |
| 657 | L | A | -0.9913 | |
| 658 | E | A | -2.4453 | |
| 659 | K | A | -2.4184 | |
| 660 | R | A | -2.2768 | |
| 661 | E | A | -2.5724 | |
| 662 | L | A | -1.2511 | |
| 663 | K | A | -2.2818 | |
| 664 | L | A | -1.8405 | |
| 665 | A | A | -1.8420 | |
| 666 | R | A | -2.7046 | |
| 667 | L | A | 0.0000 | |
| 668 | R | A | -3.0718 | |
| 669 | Q | A | -3.2753 | |
| 670 | L | A | -1.9548 | |
| 671 | M | A | -1.5955 | |
| 672 | Q | A | -2.7090 | |
| 673 | R | A | -2.9176 | |
| 674 | S | A | -1.5634 | |
| 675 | L | A | -0.4254 | |
| 676 | S | A | -1.8231 | |
| 677 | E | A | -3.0751 | |
| 678 | S | A | -2.2341 | |
| 679 | D | A | -2.7252 | |
| 680 | T | A | -2.5026 | |
| 681 | D | A | -3.0895 | |
| 682 | S | A | -2.2942 | |
| 683 | N | A | -2.6747 | |
| 684 | N | A | -2.7112 | |
| 685 | S | A | -2.4854 | |
| 686 | E | A | -3.3473 | |
| 687 | D | A | -3.1881 | |
| 688 | P | A | -2.4057 | |
| 689 | K | A | -2.2255 | |
| 690 | T | A | -1.0365 | |
| 691 | T | A | -0.2626 | |
| 692 | P | A | -0.0333 | |
| 693 | V | A | 0.4149 | |
| 694 | R | A | -2.1398 | |
| 695 | K | A | -2.9984 | |
| 696 | A | A | -2.7312 | |
| 697 | D | A | -3.3318 | |
| 698 | R | A | -3.4651 | |
| 699 | P | A | -2.5048 | |
| 700 | R | A | -2.7970 | |
| 701 | P | A | -1.9025 | |
| 702 | Q | A | -1.3920 | |
| 703 | P | A | 0.4295 | |
| 704 | I | A | 2.1282 | |
| 705 | V | A | 1.7605 | |
| 706 | E | A | -0.2666 | |
| 707 | S | A | -0.2144 | |
| 708 | V | A | 0.4356 | |
| 709 | E | A | -0.8739 | |
| 710 | S | A | -0.6262 | |
| 711 | M | A | -0.2129 | |
| 712 | D | A | -1.6426 | |
| 713 | S | A | -1.4173 | |
| 714 | A | A | -1.2727 | |
| 715 | E | A | -1.7825 | |
| 716 | S | A | -0.5966 | |
| 717 | L | A | 0.8615 | |
| 718 | H | A | 1.0081 | |
| 719 | L | A | 2.2359 | |
| 720 | M | A | 2.2741 | |
| 721 | I | A | 1.6584 | |
| 722 | K | A | -1.5552 | |
| 723 | K | A | -2.6687 | |
| 724 | H | A | -1.8161 | |
| 725 | T | A | -0.2293 | |
| 726 | L | A | 1.2739 | |
| 727 | A | A | 0.6136 | |
| 728 | S | A | -0.1902 | |
| 729 | G | A | -1.2345 | |
| 730 | G | A | -2.0639 | |
| 731 | R | A | -2.7087 | |
| 732 | R | A | -1.9332 | |
| 733 | F | A | 0.7129 | |
| 734 | P | A | 0.9216 | |
| 735 | F | A | 2.4798 | |
| 736 | S | A | 1.2483 | |
| 737 | I | A | 1.4195 | |
| 738 | K | A | -0.7273 | |
| 739 | A | A | -0.8723 | |
| 740 | S | A | -1.4190 | |
| 741 | K | A | -1.5536 | |
| 742 | S | A | -0.5649 | |
| 743 | L | A | 0.1279 | |
| 744 | D | A | -1.5403 | |
| 745 | G | A | -1.5470 | |
| 746 | H | A | -1.7648 | |
| 747 | S | A | -1.0268 | |
| 748 | P | A | -0.7639 | |
| 749 | S | A | -0.5239 | |
| 750 | P | A | -0.4911 | |
| 751 | T | A | -0.6922 | |
| 752 | S | A | -1.2534 | |
| 753 | E | A | -2.0867 | |
| 754 | S | A | -1.6316 | |
| 755 | S | A | -1.7239 | |
| 756 | E | A | -2.4510 | |
| 757 | P | A | -1.7618 | |
| 758 | D | A | -1.7691 | |
| 759 | L | A | -0.4078 | |
| 760 | E | A | -1.8762 | |
| 761 | S | A | -1.2587 | |
| 762 | Q | A | -1.1690 | |
| 763 | Y | A | 0.4796 | |
| 764 | P | A | -0.1579 | |
| 765 | G | A | -0.5760 | |
| 766 | S | A | -0.8016 | |
| 767 | G | A | -0.3027 | |
| 768 | S | A | 0.3786 | |
| 769 | I | A | 1.6218 | |
| 770 | P | A | 0.2601 | |
| 771 | P | A | -0.8448 | |
| 772 | N | A | -2.0758 | |
| 773 | Q | A | -2.0549 | |
| 774 | P | A | -1.5893 | |
| 775 | S | A | -1.2525 | |
| 776 | G | A | -1.5344 | |
| 777 | D | A | -2.6410 | |
| 778 | P | A | -2.2479 | |
| 779 | Q | A | -2.4695 | |
| 780 | Q | A | -2.3623 | |
| 781 | P | A | -1.6492 | |
| 782 | S | A | -1.3864 | |
| 783 | P | A | -1.6142 | |
| 784 | D | A | -2.1356 | |
| 785 | S | A | -1.2087 | |
| 786 | T | A | -0.7563 | |
| 787 | A | A | -0.3000 | |
| 788 | A | A | -1.0343 | |
| 789 | Q | A | -1.6416 | |
| 790 | K | A | -1.3740 | |
| 791 | V | A | 0.6963 | |
| 792 | A | A | 0.4822 | |
| 793 | T | A | 0.1950 | |
| 794 | S | A | -0.7621 | |
| 795 | P | A | -1.2469 | |
| 796 | K | A | -1.9705 | |
| 797 | S | A | -0.9504 | |
| 798 | A | A | -0.2036 | |
| 799 | L | A | 0.5299 | |
| 800 | K | A | -1.0752 | |
| 801 | S | A | -0.9223 | |
| 802 | P | A | -0.9771 | |
| 803 | S | A | -1.3407 | |
| 804 | S | A | -1.8500 | |
| 805 | K | A | -3.2768 | |
| 806 | R | A | -3.6822 | |
| 807 | R | A | -3.4076 | |
| 808 | T | A | -2.0210 | |
| 809 | S | A | -1.5780 | |
| 810 | Q | A | -2.0056 | |
| 811 | N | A | -1.5051 | |
| 812 | L | A | -0.0280 | |
| 813 | K | A | -0.9973 | |
| 814 | L | A | 0.5354 | |
| 815 | R | A | -0.2928 | |
| 816 | V | A | 1.3466 | |
| 817 | T | A | 0.6856 | |
| 818 | F | A | 0.7613 | |
| 819 | E | A | -1.4204 | |
| 820 | E | A | -1.6244 | |
| 821 | P | A | -0.1408 | |
| 822 | V | A | 1.6233 | |
| 823 | V | A | 1.7879 | |
| 824 | Q | A | -0.0237 | |
| 825 | M | A | -0.1134 | |
| 826 | E | A | -2.0592 | |
| 827 | Q | A | -2.0003 | |
| 828 | P | A | -1.2896 | |
| 829 | S | A | -0.2551 | |
| 830 | L | A | 0.6811 | |
| 831 | E | A | -0.5881 | |
| 832 | L | A | 0.0821 | |
| 833 | N | A | -1.5909 | |
| 834 | G | A | -2.0688 | |
| 835 | E | A | -3.4346 | |
| 836 | K | A | -4.2728 | |
| 837 | D | A | -4.3968 | |
| 838 | K | A | -4.3092 | |
| 839 | D | A | -4.2331 | |
| 840 | K | A | -3.5615 | |
| 841 | G | A | -2.5308 | |
| 842 | R | A | -2.1565 | |
| 843 | T | A | -0.7087 | |
| 844 | L | A | 0.0606 | |
| 845 | Q | A | -1.2329 | |
| 846 | R | A | -2.1740 | |
| 847 | T | A | -1.4375 | |
| 848 | S | A | -0.7212 | |
| 849 | T | A | -0.7764 | |
| 850 | S | A | -1.2644 | |
| 851 | N | A | -2.3396 | |
| 852 | E | A | -2.6964 | |
| 853 | S | A | -1.9940 | |
| 854 | G | A | -2.0771 | |
| 855 | D | A | -2.3769 | |
| 856 | Q | A | -1.8418 | |
| 857 | L | A | -0.6466 | |
| 858 | K | A | -1.9797 | |
| 859 | R | A | -2.1596 | |
| 860 | P | A | -0.7608 | |
| 861 | F | A | 1.3000 | |
| 862 | G | A | 0.8646 | |
| 863 | A | A | 0.8144 | |
| 864 | F | A | 1.3699 | |
| 865 | R | A | -0.4061 | |
| 866 | S | A | 0.3209 | |
| 867 | I | A | 1.6837 | |
| 868 | M | A | 1.0461 | |
| 869 | E | A | -0.5073 | |
| 870 | T | A | 0.0676 | |
| 871 | L | A | 0.7717 | |
| 872 | S | A | -0.4925 | |
| 873 | G | A | -1.5049 | |
| 874 | N | A | -2.3594 | |
| 875 | Q | A | -3.0452 | |
| 876 | N | A | -3.2910 | |
| 877 | N | A | -3.3779 | |
| 878 | N | A | -3.1716 | |
| 879 | N | A | -2.7668 | |
| 880 | N | A | -2.0419 | |
| 881 | Y | A | -0.4170 | |
| 882 | Q | A | -0.8707 | |
| 883 | A | A | -0.6101 | |
| 884 | A | A | -0.9041 | |
| 885 | N | A | -1.5034 | |
| 886 | Q | A | -1.3996 | |
| 887 | L | A | -0.2039 | |
| 888 | K | A | -1.2917 | |
| 889 | T | A | -0.7281 | |
| 890 | S | A | -0.3320 | |
| 891 | T | A | 0.3489 | |
| 892 | L | A | 1.6721 | |
| 893 | P | A | 1.2082 | |
| 894 | L | A | 1.6750 | |
| 895 | T | A | 0.8678 | |
| 896 | S | A | 0.6258 | |
| 897 | L | A | 0.7717 | |
| 898 | G | A | -1.0402 | |
| 899 | R | A | -2.5776 | |
| 900 | K | A | -3.1430 | |
| 901 | T | A | -2.4069 | |
| 902 | D | A | -2.5808 | |
| 903 | A | A | -1.7522 | |
| 904 | K | A | -2.5785 | |
| 905 | G | A | -1.9295 | |
| 906 | N | A | -1.9794 | |
| 907 | P | A | -1.0885 | |
| 908 | A | A | -0.4956 | |
| 909 | S | A | -0.3429 | |
| 910 | S | A | -0.3365 | |
| 911 | A | A | -0.5966 | |
| 912 | S | A | -1.1467 | |
| 913 | K | A | -2.3741 | |
| 914 | G | A | -2.4587 | |
| 915 | K | A | -3.2795 | |
| 916 | N | A | -3.1467 | |
| 917 | K | A | -2.7489 | |
| 918 | A | A | -0.9921 | |
| 919 | A | A | -0.2655 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.7046 | 6.3571 | View | CSV | PDB |
| 4.5 | -0.8005 | 6.3571 | View | CSV | PDB |
| 5.0 | -0.9214 | 6.3571 | View | CSV | PDB |
| 5.5 | -1.0406 | 6.3571 | View | CSV | PDB |
| 6.0 | -1.1308 | 6.3571 | View | CSV | PDB |
| 6.5 | -1.1763 | 6.3571 | View | CSV | PDB |
| 7.0 | -1.1792 | 6.3571 | View | CSV | PDB |
| 7.5 | -1.1535 | 6.3571 | View | CSV | PDB |
| 8.0 | -1.1127 | 6.3571 | View | CSV | PDB |
| 8.5 | -1.0615 | 6.3571 | View | CSV | PDB |
| 9.0 | -0.9994 | 6.3571 | 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