| Chain sequence(s) | METLLGGLLAFGMAFAVVDACPKYCVCQNLSESLGTLCPSKGLLFVPPDIDRRTVELRLGGNFIIHIGRQDFANMTGLVDLTLSRNTISHIQPFSFLDLESLRSLHLDSNRLPSLGEDTLRGLVNLQHLIVNNNQLGGIADDAFEDFLLTLEDLDLSYNNLHGLPWDSVRRMVNLHQLSLDHNLLDHIAEGTFADLQKLARLDLTSNRLQKLPPDPIFARSQASLLTATPFAPPLSFSFGGNPLHCNCELLWLRRLERDDDLKTCGSPGGLKGRYFWHIREEEFVCEPPLITQHTHKLLVLEGQAATLKCKAIGDPSPLIHWVAPDDRLVGNSSRTAVYDNGTLDILITTSQDSGPFTCIAANAAGEATATVEVSIVQLPHLSNSTSRMAPPKSRLSDITGSSKTSRGGGGSGAGEPPKSTPERAVLVSDVTTTSALVKWSVSKSAPRVKMYQLQYNCSDDEVLIYRMIPASNKAFVVNNLVSGTGYDLCVLAMWDDTATTLTATNIVGCAQFFTKADYPQCQSMHSQILGGTMILVIGGIIVATLLVFIVILMVRYKVCNHDAPGKMAAATVSNVYSQTNGAQPPPLGGMPVGQLPQAPPKVVVRNELMDFSTSLARACDSSSSSSLGSGEAAGLSRGPWRLPPPAPRPKPSLDRLMGAFASLDLKSQRKEELLDSRTPAGRGAGTSARGHHSDREPLLGPPATRARSLLPLPLEGKAKRSHSFDMGDFAAAAAAAPGGYSPPRRVSNIWTKRSLSVNGMLLPFEENDLVGARGTFGSSEWVMESTV input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:50)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9e35dbf09604fa/tmp/folded.pdb (00:06:50)
[INFO] Main: Simulation completed successfully. (00:18:55)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.8277 | |
| 2 | E | A | -0.6206 | |
| 3 | T | A | 0.4545 | |
| 4 | L | A | 2.1435 | |
| 5 | L | A | 2.2578 | |
| 6 | G | A | 1.3357 | |
| 7 | G | A | 1.8640 | |
| 8 | L | A | 3.2999 | |
| 9 | L | A | 3.1779 | |
| 10 | A | A | 2.4562 | |
| 11 | F | A | 3.3514 | |
| 12 | G | A | 2.3146 | |
| 13 | M | A | 2.7837 | |
| 14 | A | A | 2.4457 | |
| 15 | F | A | 3.3564 | |
| 16 | A | A | 2.3955 | |
| 17 | V | A | 3.0266 | |
| 18 | V | A | 2.5049 | |
| 19 | D | A | 0.0964 | |
| 20 | A | A | -0.4128 | |
| 21 | C | A | -0.0371 | |
| 22 | P | A | 0.0000 | |
| 23 | K | A | -0.9769 | |
| 24 | Y | A | 0.5535 | |
| 25 | C | A | 0.0000 | |
| 26 | V | A | 1.3235 | |
| 27 | C | A | 0.2157 | |
| 28 | Q | A | -1.0549 | |
| 29 | N | A | -1.9082 | |
| 30 | L | A | -0.9218 | |
| 31 | S | A | -1.2607 | |
| 32 | E | A | -2.1938 | |
| 33 | S | A | -1.4981 | |
| 34 | L | A | 0.0000 | |
| 35 | G | A | 0.0000 | |
| 36 | T | A | 0.0000 | |
| 37 | L | A | 0.1647 | |
| 38 | C | A | 0.0000 | |
| 39 | P | A | -0.8619 | |
| 40 | S | A | -0.9706 | |
| 41 | K | A | -0.6989 | |
| 42 | G | A | 0.1936 | |
| 43 | L | A | 0.0000 | |
| 44 | L | A | 2.9484 | |
| 45 | F | A | 2.8933 | |
| 46 | V | A | 0.0000 | |
| 47 | P | A | 0.0000 | |
| 48 | P | A | -1.0703 | |
| 49 | D | A | -2.1512 | |
| 50 | I | A | 0.0000 | |
| 51 | D | A | 0.0000 | |
| 52 | R | A | -1.9511 | |
| 53 | R | A | -2.1029 | |
| 54 | T | A | 0.0000 | |
| 55 | V | A | -0.4841 | |
| 56 | E | A | -0.6599 | |
| 57 | L | A | 0.0000 | |
| 58 | R | A | -1.2091 | |
| 59 | L | A | 0.0000 | |
| 60 | G | A | -1.1633 | |
| 61 | G | A | -1.1363 | |
| 62 | N | A | 0.0000 | |
| 63 | F | A | 2.1893 | |
| 64 | I | A | 0.0000 | |
| 65 | I | A | 1.1359 | |
| 66 | H | A | 0.0145 | |
| 67 | I | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | R | A | -1.6504 | |
| 70 | Q | A | -2.0141 | |
| 71 | D | A | -1.3420 | |
| 72 | F | A | 0.0000 | |
| 73 | A | A | -1.4662 | |
| 74 | N | A | -2.2097 | |
| 75 | M | A | 0.0000 | |
| 76 | T | A | -1.5145 | |
| 77 | G | A | -1.2245 | |
| 78 | L | A | 0.0000 | |
| 79 | V | A | -0.4781 | |
| 80 | D | A | -0.7664 | |
| 81 | L | A | 0.0000 | |
| 82 | T | A | -0.9266 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -1.4265 | |
| 85 | R | A | -2.0473 | |
| 86 | N | A | 0.0000 | |
| 87 | T | A | 0.0291 | |
| 88 | I | A | 0.0000 | |
| 89 | S | A | -1.1332 | |
| 90 | H | A | -1.3808 | |
| 91 | I | A | 0.0000 | |
| 92 | Q | A | -1.2046 | |
| 93 | P | A | -0.8420 | |
| 94 | F | A | -0.1644 | |
| 95 | S | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | L | A | -0.1306 | |
| 98 | D | A | -1.5126 | |
| 99 | L | A | 0.0000 | |
| 100 | E | A | -2.1706 | |
| 101 | S | A | -1.2933 | |
| 102 | L | A | 0.0000 | |
| 103 | R | A | -1.7155 | |
| 104 | S | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | H | A | -0.6693 | |
| 107 | L | A | 0.0000 | |
| 108 | D | A | -1.1827 | |
| 109 | S | A | -1.6577 | |
| 110 | N | A | 0.0000 | |
| 111 | R | A | -1.9717 | |
| 112 | L | A | 0.0000 | |
| 113 | P | A | -1.4678 | |
| 114 | S | A | -1.0269 | |
| 115 | L | A | 0.0000 | |
| 116 | G | A | -1.7889 | |
| 117 | E | A | -2.8965 | |
| 118 | D | A | -1.9546 | |
| 119 | T | A | -1.0395 | |
| 120 | L | A | 0.0000 | |
| 121 | R | A | -1.0797 | |
| 122 | G | A | -0.5506 | |
| 123 | L | A | 0.0000 | |
| 124 | V | A | -0.1939 | |
| 125 | N | A | -0.9110 | |
| 126 | L | A | 0.0000 | |
| 127 | Q | A | -1.0510 | |
| 128 | H | A | -1.1620 | |
| 129 | L | A | 0.0000 | |
| 130 | I | A | -0.2964 | |
| 131 | V | A | 0.0000 | |
| 132 | N | A | -0.8551 | |
| 133 | N | A | -1.7805 | |
| 134 | N | A | 0.0000 | |
| 135 | Q | A | -2.1989 | |
| 136 | L | A | 0.0000 | |
| 137 | G | A | -1.4234 | |
| 138 | G | A | -1.1314 | |
| 139 | I | A | -1.0385 | |
| 140 | A | A | -1.8256 | |
| 141 | D | A | -3.0072 | |
| 142 | D | A | -3.1772 | |
| 143 | A | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | E | A | -1.6635 | |
| 146 | D | A | -0.6736 | |
| 147 | F | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | L | A | 1.1768 | |
| 150 | T | A | 0.1865 | |
| 151 | L | A | 0.0000 | |
| 152 | E | A | -1.2051 | |
| 153 | D | A | -1.2207 | |
| 154 | L | A | 0.0000 | |
| 155 | D | A | -0.4946 | |
| 156 | L | A | 0.0000 | |
| 157 | S | A | 0.0000 | |
| 158 | Y | A | -0.3305 | |
| 159 | N | A | 0.0000 | |
| 160 | N | A | -1.6537 | |
| 161 | L | A | 0.0000 | |
| 162 | H | A | -1.8501 | |
| 163 | G | A | -1.1654 | |
| 164 | L | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | W | A | 0.0000 | |
| 167 | D | A | -2.5692 | |
| 168 | S | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | R | A | -1.7960 | |
| 171 | R | A | -1.5102 | |
| 172 | M | A | 0.0000 | |
| 173 | V | A | -0.5870 | |
| 174 | N | A | -0.7989 | |
| 175 | L | A | 0.0000 | |
| 176 | H | A | -1.7510 | |
| 177 | Q | A | -1.6798 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | -0.6508 | |
| 180 | L | A | 0.0000 | |
| 181 | D | A | -0.2490 | |
| 182 | H | A | -0.4487 | |
| 183 | N | A | 0.0000 | |
| 184 | L | A | -1.0724 | |
| 185 | L | A | 0.0000 | |
| 186 | D | A | -2.6532 | |
| 187 | H | A | -2.5321 | |
| 188 | I | A | 0.0000 | |
| 189 | A | A | -1.4699 | |
| 190 | E | A | -2.0500 | |
| 191 | G | A | -1.6768 | |
| 192 | T | A | 0.0000 | |
| 193 | F | A | 0.0000 | |
| 194 | A | A | -1.5461 | |
| 195 | D | A | -2.4531 | |
| 196 | L | A | 0.0000 | |
| 197 | Q | A | -1.7931 | |
| 198 | K | A | -1.8286 | |
| 199 | L | A | 0.0000 | |
| 200 | A | A | -1.5894 | |
| 201 | R | A | -2.2542 | |
| 202 | L | A | 0.0000 | |
| 203 | D | A | -0.9757 | |
| 204 | L | A | 0.0000 | |
| 205 | T | A | -0.3125 | |
| 206 | S | A | -0.0985 | |
| 207 | N | A | 0.0000 | |
| 208 | R | A | -2.2773 | |
| 209 | L | A | 0.0000 | |
| 210 | Q | A | -2.3946 | |
| 211 | K | A | -2.3761 | |
| 212 | L | A | 0.0000 | |
| 213 | P | A | 0.0000 | |
| 214 | P | A | -0.7760 | |
| 215 | D | A | 0.0000 | |
| 216 | P | A | -0.6750 | |
| 217 | I | A | 0.0000 | |
| 218 | F | A | 0.0000 | |
| 219 | A | A | -0.6969 | |
| 220 | R | A | -0.3193 | |
| 221 | S | A | 0.0000 | |
| 222 | Q | A | -1.3123 | |
| 223 | A | A | -0.5116 | |
| 224 | S | A | 0.5577 | |
| 225 | L | A | 2.0755 | |
| 226 | L | A | 2.1698 | |
| 227 | T | A | 0.9559 | |
| 228 | A | A | 0.9643 | |
| 229 | T | A | 0.8413 | |
| 230 | P | A | 0.5329 | |
| 231 | F | A | 1.4209 | |
| 232 | A | A | 0.2230 | |
| 233 | P | A | -0.4318 | |
| 234 | P | A | -0.6151 | |
| 235 | L | A | 0.0000 | |
| 236 | S | A | -1.1292 | |
| 237 | F | A | 0.0000 | |
| 238 | S | A | -0.8043 | |
| 239 | F | A | 0.0000 | |
| 240 | G | A | -0.1318 | |
| 241 | G | A | 0.1104 | |
| 242 | N | A | 0.0000 | |
| 243 | P | A | -1.2050 | |
| 244 | L | A | 0.0000 | |
| 245 | H | A | -1.2718 | |
| 246 | C | A | 0.0000 | |
| 247 | N | A | 0.0000 | |
| 248 | C | A | 0.0832 | |
| 249 | E | A | -0.2706 | |
| 250 | L | A | 0.0000 | |
| 251 | L | A | -0.6708 | |
| 252 | W | A | -0.5293 | |
| 253 | L | A | 0.0000 | |
| 254 | R | A | -1.8421 | |
| 255 | R | A | -2.6190 | |
| 256 | L | A | -2.0050 | |
| 257 | E | A | -2.9920 | |
| 258 | R | A | -2.8755 | |
| 259 | D | A | -3.0775 | |
| 260 | D | A | -2.4906 | |
| 261 | D | A | -1.9878 | |
| 262 | L | A | 0.3129 | |
| 263 | K | A | 0.0000 | |
| 264 | T | A | -0.2612 | |
| 265 | C | A | 0.0000 | |
| 266 | G | A | -1.3392 | |
| 267 | S | A | -1.3997 | |
| 268 | P | A | -0.8913 | |
| 269 | G | A | -1.4368 | |
| 270 | G | A | -1.4786 | |
| 271 | L | A | 0.0000 | |
| 272 | K | A | -2.4804 | |
| 273 | G | A | -1.6851 | |
| 274 | R | A | -1.2832 | |
| 275 | Y | A | -0.3264 | |
| 276 | F | A | 0.0000 | |
| 277 | W | A | -1.7281 | |
| 278 | H | A | -1.4408 | |
| 279 | I | A | 0.0000 | |
| 280 | R | A | -3.5327 | |
| 281 | E | A | -3.0842 | |
| 282 | E | A | -2.7559 | |
| 283 | E | A | -1.9079 | |
| 284 | F | A | 0.0000 | |
| 285 | V | A | 0.6392 | |
| 286 | C | A | -0.2183 | |
| 287 | E | A | -1.2373 | |
| 288 | P | A | -0.8622 | |
| 289 | P | A | 0.0000 | |
| 290 | L | A | 1.1184 | |
| 291 | I | A | 0.2656 | |
| 292 | T | A | -0.3285 | |
| 293 | Q | A | -2.0476 | |
| 294 | H | A | -2.5440 | |
| 295 | T | A | -2.3196 | |
| 296 | H | A | -2.6327 | |
| 297 | K | A | -2.4192 | |
| 298 | L | A | -0.3744 | |
| 299 | L | A | 1.3703 | |
| 300 | V | A | 0.8363 | |
| 301 | L | A | 0.5518 | |
| 302 | E | A | -0.5241 | |
| 303 | G | A | -0.3648 | |
| 304 | Q | A | -0.5287 | |
| 305 | A | A | 0.1804 | |
| 306 | A | A | 0.0000 | |
| 307 | T | A | -0.2497 | |
| 308 | L | A | 0.0000 | |
| 309 | K | A | -2.3919 | |
| 310 | C | A | 0.0000 | |
| 311 | K | A | -1.8601 | |
| 312 | A | A | 0.0000 | |
| 313 | I | A | 1.3047 | |
| 314 | G | A | 0.1148 | |
| 315 | D | A | -0.4865 | |
| 316 | P | A | -0.1833 | |
| 317 | S | A | 0.3171 | |
| 318 | P | A | 0.4978 | |
| 319 | L | A | 0.8803 | |
| 320 | I | A | 0.0082 | |
| 321 | H | A | 0.3263 | |
| 322 | W | A | 0.0000 | |
| 323 | V | A | -0.7746 | |
| 324 | A | A | -1.3847 | |
| 325 | P | A | -2.1291 | |
| 326 | D | A | -3.1133 | |
| 327 | D | A | -3.1137 | |
| 328 | R | A | -2.4818 | |
| 329 | L | A | -0.1673 | |
| 330 | V | A | -0.3148 | |
| 331 | G | A | -0.8263 | |
| 332 | N | A | -1.5150 | |
| 333 | S | A | -1.0878 | |
| 334 | S | A | -0.6285 | |
| 335 | R | A | -0.4544 | |
| 336 | T | A | -0.4472 | |
| 337 | A | A | -0.3760 | |
| 338 | V | A | -0.6206 | |
| 339 | Y | A | -0.8002 | |
| 340 | D | A | -1.7279 | |
| 341 | N | A | -2.1163 | |
| 342 | G | A | 0.0000 | |
| 343 | T | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | D | A | -0.1018 | |
| 346 | I | A | 0.0000 | |
| 347 | L | A | 0.9630 | |
| 348 | I | A | 1.0320 | |
| 349 | T | A | 0.0000 | |
| 350 | T | A | -0.5981 | |
| 351 | S | A | -0.9775 | |
| 352 | Q | A | -1.6738 | |
| 353 | D | A | -1.1129 | |
| 354 | S | A | -0.6894 | |
| 355 | G | A | -1.2042 | |
| 356 | P | A | -1.5834 | |
| 357 | F | A | 0.0000 | |
| 358 | T | A | -0.3299 | |
| 359 | C | A | 0.0000 | |
| 360 | I | A | 0.1219 | |
| 361 | A | A | 0.0000 | |
| 362 | A | A | 0.0268 | |
| 363 | N | A | 0.0000 | |
| 364 | A | A | -0.1199 | |
| 365 | A | A | -0.7691 | |
| 366 | G | A | -1.1946 | |
| 367 | E | A | -1.4084 | |
| 368 | A | A | -0.3875 | |
| 369 | T | A | -0.1227 | |
| 370 | A | A | -0.2157 | |
| 371 | T | A | -0.9629 | |
| 372 | V | A | 0.0000 | |
| 373 | E | A | -2.2846 | |
| 374 | V | A | 0.0000 | |
| 375 | S | A | -0.1371 | |
| 376 | I | A | 0.4150 | |
| 377 | V | A | 0.8558 | |
| 378 | Q | A | -0.5221 | |
| 379 | L | A | 0.6138 | |
| 380 | P | A | 0.0688 | |
| 381 | H | A | -0.4406 | |
| 382 | L | A | 0.6574 | |
| 383 | S | A | -0.4615 | |
| 384 | N | A | -1.2030 | |
| 385 | S | A | -0.9073 | |
| 386 | T | A | -0.9642 | |
| 387 | S | A | -1.1040 | |
| 388 | R | A | -1.4762 | |
| 389 | M | A | 0.0502 | |
| 390 | A | A | -0.2649 | |
| 391 | P | A | -0.7845 | |
| 392 | P | A | -1.5203 | |
| 393 | K | A | -2.4253 | |
| 394 | S | A | -1.8308 | |
| 395 | R | A | -1.6781 | |
| 396 | L | A | 0.3243 | |
| 397 | S | A | -0.1500 | |
| 398 | D | A | -0.5912 | |
| 399 | I | A | 1.0960 | |
| 400 | T | A | 0.2396 | |
| 401 | G | A | -0.1890 | |
| 402 | S | A | -0.9147 | |
| 403 | S | A | -1.2809 | |
| 404 | K | A | -2.1257 | |
| 405 | T | A | -1.5548 | |
| 406 | S | A | -1.7618 | |
| 407 | R | A | -2.5033 | |
| 408 | G | A | -1.8810 | |
| 409 | G | A | -1.4462 | |
| 410 | G | A | -1.1055 | |
| 411 | G | A | -1.0023 | |
| 412 | S | A | -0.7501 | |
| 413 | G | A | -0.7531 | |
| 414 | A | A | -0.8158 | |
| 415 | G | A | -1.4664 | |
| 416 | E | A | -2.2049 | |
| 417 | P | A | -1.7201 | |
| 418 | P | A | -1.6508 | |
| 419 | K | A | -2.0255 | |
| 420 | S | A | -1.4563 | |
| 421 | T | A | -1.5217 | |
| 422 | P | A | -1.9185 | |
| 423 | E | A | -2.7376 | |
| 424 | R | A | -2.3939 | |
| 425 | A | A | -0.8795 | |
| 426 | V | A | 0.0000 | |
| 427 | L | A | 0.4509 | |
| 428 | V | A | 0.6273 | |
| 429 | S | A | -0.1856 | |
| 430 | D | A | -1.2128 | |
| 431 | V | A | 0.0257 | |
| 432 | T | A | -0.8383 | |
| 433 | T | A | -0.7184 | |
| 434 | T | A | -0.8087 | |
| 435 | S | A | -0.6892 | |
| 436 | A | A | 0.0000 | |
| 437 | L | A | 0.4017 | |
| 438 | V | A | 0.0000 | |
| 439 | K | A | -0.5485 | |
| 440 | W | A | 0.0000 | |
| 441 | S | A | -1.0280 | |
| 442 | V | A | -0.3668 | |
| 443 | S | A | -0.9281 | |
| 444 | K | A | -2.0479 | |
| 445 | S | A | -1.2884 | |
| 446 | A | A | -1.0848 | |
| 447 | P | A | -1.8623 | |
| 448 | R | A | -2.8081 | |
| 449 | V | A | 0.0000 | |
| 450 | K | A | -2.1751 | |
| 451 | M | A | -0.7384 | |
| 452 | Y | A | 0.0000 | |
| 453 | Q | A | 0.1357 | |
| 454 | L | A | 0.0000 | |
| 455 | Q | A | 0.3867 | |
| 456 | Y | A | 0.1311 | |
| 457 | N | A | -0.6364 | |
| 458 | C | A | -0.9600 | |
| 459 | S | A | -1.7453 | |
| 460 | D | A | -2.6756 | |
| 461 | D | A | -2.7663 | |
| 462 | E | A | -1.9589 | |
| 463 | V | A | 0.7582 | |
| 464 | L | A | 1.2878 | |
| 465 | I | A | 1.6585 | |
| 466 | Y | A | 1.3642 | |
| 467 | R | A | -0.4636 | |
| 468 | M | A | -0.0852 | |
| 469 | I | A | 0.0000 | |
| 470 | P | A | -0.7964 | |
| 471 | A | A | -1.2027 | |
| 472 | S | A | -1.0693 | |
| 473 | N | A | -1.5154 | |
| 474 | K | A | -1.9076 | |
| 475 | A | A | -0.6049 | |
| 476 | F | A | 0.1332 | |
| 477 | V | A | 0.9678 | |
| 478 | V | A | 0.0000 | |
| 479 | N | A | -1.2997 | |
| 480 | N | A | -1.4950 | |
| 481 | L | A | 0.0000 | |
| 482 | V | A | 0.8368 | |
| 483 | S | A | -0.0191 | |
| 484 | G | A | -0.1206 | |
| 485 | T | A | 0.1253 | |
| 486 | G | A | 0.0000 | |
| 487 | Y | A | 0.0000 | |
| 488 | D | A | -1.1936 | |
| 489 | L | A | 0.0000 | |
| 490 | C | A | 0.6000 | |
| 491 | V | A | 0.0000 | |
| 492 | L | A | 1.0057 | |
| 493 | A | A | 0.0000 | |
| 494 | M | A | -0.7928 | |
| 495 | W | A | -1.7027 | |
| 496 | D | A | -2.1561 | |
| 497 | D | A | -1.3276 | |
| 498 | T | A | -0.6341 | |
| 499 | A | A | -0.2413 | |
| 500 | T | A | -0.0263 | |
| 501 | T | A | 0.0321 | |
| 502 | L | A | 0.8474 | |
| 503 | T | A | -0.3672 | |
| 504 | A | A | -0.4282 | |
| 505 | T | A | -0.0044 | |
| 506 | N | A | 0.2081 | |
| 507 | I | A | 1.9163 | |
| 508 | V | A | 1.0323 | |
| 509 | G | A | 0.8767 | |
| 510 | C | A | 0.6894 | |
| 511 | A | A | -0.3055 | |
| 512 | Q | A | -0.7471 | |
| 513 | F | A | 0.4196 | |
| 514 | F | A | 1.4792 | |
| 515 | T | A | 0.0000 | |
| 516 | K | A | -1.2605 | |
| 517 | A | A | -0.9447 | |
| 518 | D | A | -1.6883 | |
| 519 | Y | A | -0.1723 | |
| 520 | P | A | -0.6386 | |
| 521 | Q | A | -1.2164 | |
| 522 | C | A | -0.1815 | |
| 523 | Q | A | -1.1772 | |
| 524 | S | A | -0.5646 | |
| 525 | M | A | -0.0528 | |
| 526 | H | A | -0.9330 | |
| 527 | S | A | -0.2381 | |
| 528 | Q | A | -0.1543 | |
| 529 | I | A | 1.7924 | |
| 530 | L | A | 2.2245 | |
| 531 | G | A | 1.2980 | |
| 532 | G | A | 1.5470 | |
| 533 | T | A | 2.4956 | |
| 534 | M | A | 3.1297 | |
| 535 | I | A | 3.9062 | |
| 536 | L | A | 3.8347 | |
| 537 | V | A | 4.1902 | |
| 538 | I | A | 4.4956 | |
| 539 | G | A | 3.6546 | |
| 540 | G | A | 3.5774 | |
| 541 | I | A | 4.8255 | |
| 542 | I | A | 4.8513 | |
| 543 | V | A | 4.7355 | |
| 544 | A | A | 3.7941 | |
| 545 | T | A | 3.9400 | |
| 546 | L | A | 5.1014 | |
| 547 | L | A | 5.1279 | |
| 548 | V | A | 5.1264 | |
| 549 | F | A | 5.4077 | |
| 550 | I | A | 4.4093 | |
| 551 | V | A | 4.5670 | |
| 552 | I | A | 4.0219 | |
| 553 | L | A | 2.9049 | |
| 554 | M | A | 2.7878 | |
| 555 | V | A | 2.2256 | |
| 556 | R | A | 0.4111 | |
| 557 | Y | A | 1.0267 | |
| 558 | K | A | -0.3928 | |
| 559 | V | A | 0.6212 | |
| 560 | C | A | 0.0061 | |
| 561 | N | A | -1.8026 | |
| 562 | H | A | -2.0120 | |
| 563 | D | A | -2.3144 | |
| 564 | A | A | -1.3749 | |
| 565 | P | A | -1.2166 | |
| 566 | G | A | -1.3817 | |
| 567 | K | A | -1.4428 | |
| 568 | M | A | 0.1514 | |
| 569 | A | A | 0.2926 | |
| 570 | A | A | 0.3017 | |
| 571 | A | A | 0.4969 | |
| 572 | T | A | 0.7829 | |
| 573 | V | A | 1.3877 | |
| 574 | S | A | 0.3493 | |
| 575 | N | A | 0.1272 | |
| 576 | V | A | 1.6345 | |
| 577 | Y | A | 1.5768 | |
| 578 | S | A | 0.0691 | |
| 579 | Q | A | -1.1149 | |
| 580 | T | A | -1.3843 | |
| 581 | N | A | -1.8468 | |
| 582 | G | A | -1.3198 | |
| 583 | A | A | -1.1305 | |
| 584 | Q | A | -1.4700 | |
| 585 | P | A | -0.9867 | |
| 586 | P | A | -0.4744 | |
| 587 | P | A | 0.1032 | |
| 588 | L | A | 1.0537 | |
| 589 | G | A | 0.2196 | |
| 590 | G | A | 0.0777 | |
| 591 | M | A | 0.9339 | |
| 592 | P | A | 0.9316 | |
| 593 | V | A | 1.3661 | |
| 594 | G | A | 0.0577 | |
| 595 | Q | A | -0.2689 | |
| 596 | L | A | 0.4498 | |
| 597 | P | A | -0.3278 | |
| 598 | Q | A | -1.0522 | |
| 599 | A | A | -0.8179 | |
| 600 | P | A | -0.9596 | |
| 601 | P | A | -0.5992 | |
| 602 | K | A | -0.5756 | |
| 603 | V | A | 2.1020 | |
| 604 | V | A | 2.6231 | |
| 605 | V | A | 1.6961 | |
| 606 | R | A | -1.4976 | |
| 607 | N | A | -2.3164 | |
| 608 | E | A | -1.8920 | |
| 609 | L | A | 0.4552 | |
| 610 | M | A | 0.9348 | |
| 611 | D | A | -0.0305 | |
| 612 | F | A | 1.1665 | |
| 613 | S | A | 0.3893 | |
| 614 | T | A | 0.5051 | |
| 615 | S | A | 0.5435 | |
| 616 | L | A | 1.0410 | |
| 617 | A | A | -0.1604 | |
| 618 | R | A | -1.4653 | |
| 619 | A | A | -1.0337 | |
| 620 | C | A | -0.6686 | |
| 621 | D | A | -1.7411 | |
| 622 | S | A | -1.1950 | |
| 623 | S | A | -0.8775 | |
| 624 | S | A | -0.5281 | |
| 625 | S | A | -0.5209 | |
| 626 | S | A | -0.1410 | |
| 627 | S | A | 0.2643 | |
| 628 | L | A | 1.1247 | |
| 629 | G | A | 0.0390 | |
| 630 | S | A | -0.7060 | |
| 631 | G | A | -1.6108 | |
| 632 | E | A | -2.0658 | |
| 633 | A | A | -1.1336 | |
| 634 | A | A | -0.1818 | |
| 635 | G | A | 0.2637 | |
| 636 | L | A | 0.8382 | |
| 637 | S | A | -0.4559 | |
| 638 | R | A | -1.9008 | |
| 639 | G | A | -1.3034 | |
| 640 | P | A | -0.6636 | |
| 641 | W | A | 0.3760 | |
| 642 | R | A | -0.6291 | |
| 643 | L | A | 0.6879 | |
| 644 | P | A | -0.0413 | |
| 645 | P | A | -0.1250 | |
| 646 | P | A | -0.4478 | |
| 647 | A | A | -0.5719 | |
| 648 | P | A | -1.2077 | |
| 649 | R | A | -2.5158 | |
| 650 | P | A | -2.1411 | |
| 651 | K | A | -2.4368 | |
| 652 | P | A | -1.1921 | |
| 653 | S | A | -0.2079 | |
| 654 | L | A | 0.1483 | |
| 655 | D | A | -1.6089 | |
| 656 | R | A | -1.4970 | |
| 657 | L | A | 0.0026 | |
| 658 | M | A | 0.5880 | |
| 659 | G | A | 0.3926 | |
| 660 | A | A | 0.9089 | |
| 661 | F | A | 2.0910 | |
| 662 | A | A | 0.9780 | |
| 663 | S | A | 0.6784 | |
| 664 | L | A | 1.0927 | |
| 665 | D | A | -0.7685 | |
| 666 | L | A | 0.0517 | |
| 667 | K | A | -1.7952 | |
| 668 | S | A | -2.0550 | |
| 669 | Q | A | -3.1288 | |
| 670 | R | A | -4.1813 | |
| 671 | K | A | -4.1035 | |
| 672 | E | A | -3.5949 | |
| 673 | E | A | -2.2362 | |
| 674 | L | A | 0.3079 | |
| 675 | L | A | 0.7454 | |
| 676 | D | A | -1.1655 | |
| 677 | S | A | -1.5606 | |
| 678 | R | A | -2.4087 | |
| 679 | T | A | -1.1557 | |
| 680 | P | A | -0.7725 | |
| 681 | A | A | -0.7157 | |
| 682 | G | A | -1.5266 | |
| 683 | R | A | -2.2816 | |
| 684 | G | A | -1.5347 | |
| 685 | A | A | -0.7943 | |
| 686 | G | A | -0.6185 | |
| 687 | T | A | -0.3974 | |
| 688 | S | A | -0.6875 | |
| 689 | A | A | -1.0900 | |
| 690 | R | A | -2.3050 | |
| 691 | G | A | -2.1160 | |
| 692 | H | A | -2.1669 | |
| 693 | H | A | -2.0530 | |
| 694 | S | A | -2.2119 | |
| 695 | D | A | -3.4776 | |
| 696 | R | A | -3.7462 | |
| 697 | E | A | -2.7476 | |
| 698 | P | A | -0.3989 | |
| 699 | L | A | 1.6859 | |
| 700 | L | A | 1.6865 | |
| 701 | G | A | 0.4581 | |
| 702 | P | A | -0.2615 | |
| 703 | P | A | -0.5677 | |
| 704 | A | A | -0.7094 | |
| 705 | T | A | -1.2345 | |
| 706 | R | A | -2.3902 | |
| 707 | A | A | -1.6335 | |
| 708 | R | A | -1.8731 | |
| 709 | S | A | -0.1812 | |
| 710 | L | A | 1.6700 | |
| 711 | L | A | 2.2465 | |
| 712 | P | A | 1.5940 | |
| 713 | L | A | 1.7897 | |
| 714 | P | A | 0.9382 | |
| 715 | L | A | 0.7904 | |
| 716 | E | A | -1.5671 | |
| 717 | G | A | -2.0593 | |
| 718 | K | A | -2.9254 | |
| 719 | A | A | -2.3459 | |
| 720 | K | A | -3.2165 | |
| 721 | R | A | -3.2000 | |
| 722 | S | A | -1.9097 | |
| 723 | H | A | -1.5809 | |
| 724 | S | A | -0.1518 | |
| 725 | F | A | 0.9334 | |
| 726 | D | A | -0.5444 | |
| 727 | M | A | 0.2935 | |
| 728 | G | A | -0.6768 | |
| 729 | D | A | -1.0023 | |
| 730 | F | A | 1.1458 | |
| 731 | A | A | 0.4980 | |
| 732 | A | A | 0.4223 | |
| 733 | A | A | 0.3775 | |
| 734 | A | A | 0.1447 | |
| 735 | A | A | 0.1248 | |
| 736 | A | A | 0.0695 | |
| 737 | A | A | -0.1117 | |
| 738 | P | A | -0.5266 | |
| 739 | G | A | -0.5260 | |
| 740 | G | A | -0.1441 | |
| 741 | Y | A | 0.8282 | |
| 742 | S | A | 0.1246 | |
| 743 | P | A | -0.5548 | |
| 744 | P | A | -1.6666 | |
| 745 | R | A | -2.5646 | |
| 746 | R | A | -1.9526 | |
| 747 | V | A | 0.2554 | |
| 748 | S | A | 0.2837 | |
| 749 | N | A | 0.3449 | |
| 750 | I | A | 2.0856 | |
| 751 | W | A | 1.1537 | |
| 752 | T | A | -0.3516 | |
| 753 | K | A | -2.1538 | |
| 754 | R | A | -2.3016 | |
| 755 | S | A | -0.9434 | |
| 756 | L | A | 0.9766 | |
| 757 | S | A | 1.0797 | |
| 758 | V | A | 1.2566 | |
| 759 | N | A | -0.0639 | |
| 760 | G | A | 0.2961 | |
| 761 | M | A | 1.6578 | |
| 762 | L | A | 2.7319 | |
| 763 | L | A | 2.8106 | |
| 764 | P | A | 1.3371 | |
| 765 | F | A | 0.9245 | |
| 766 | E | A | -2.1026 | |
| 767 | E | A | -3.2018 | |
| 768 | N | A | -2.9512 | |
| 769 | D | A | -1.6234 | |
| 770 | L | A | 0.9008 | |
| 771 | V | A | 1.9048 | |
| 772 | G | A | 0.4026 | |
| 773 | A | A | -0.7993 | |
| 774 | R | A | -2.1550 | |
| 775 | G | A | -0.9438 | |
| 776 | T | A | 0.0736 | |
| 777 | F | A | 1.4959 | |
| 778 | G | A | 0.1682 | |
| 779 | S | A | -0.3582 | |
| 780 | S | A | -0.6126 | |
| 781 | E | A | -0.8215 | |
| 782 | W | A | 1.1383 | |
| 783 | V | A | 1.8370 | |
| 784 | M | A | 1.0744 | |
| 785 | E | A | -0.6118 | |
| 786 | S | A | -0.2305 | |
| 787 | T | A | 0.2499 | |
| 788 | V | A | 1.5888 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | 0.0228 | 8.2061 | View | CSV | PDB |
| 4.5 | -0.0405 | 8.2061 | View | CSV | PDB |
| 5.0 | -0.1164 | 8.2061 | View | CSV | PDB |
| 5.5 | -0.1912 | 8.2061 | View | CSV | PDB |
| 6.0 | -0.2518 | 8.2061 | View | CSV | PDB |
| 6.5 | -0.2916 | 8.2061 | View | CSV | PDB |
| 7.0 | -0.3135 | 8.2061 | View | CSV | PDB |
| 7.5 | -0.3255 | 8.2061 | View | CSV | PDB |
| 8.0 | -0.3321 | 8.2061 | View | CSV | PDB |
| 8.5 | -0.3326 | 8.2061 | View | CSV | PDB |
| 9.0 | -0.3234 | 8.2061 | 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