| Chain sequence(s) | MGQGDESERIVINVGGTRHQTYRSTLRTLPGTRLAWLAEPDAHSHFDYDPRADEFFFDRHPGVFAHILNYYRTGKLHCPADVCGPLYEEELAFWGIDETDVEPCCWMTYRQHRDAEEALDSFGGAPLDNSADDADADGPGDSGDGEDELEMTKRLALSDSPDGRPGGFWRRWQPRIWALFEDPYSSRYARYVAFASLFFILVSITTFCLETHERFNPIVNKTEIENVRNGTQVRYYREAETEAFLTYIEGVCVVWFTFEFLMRVVFCPNKVEFIKNSLNIIDFVAILPFYLEVGLSGLSSKAAKDVLGFLRVVRFVRILRIFKLTRHFVGLRVLGHTLRASTNEFLLLIIFLALGVLIFATMIYYAERIGAQPNDPSASEHTHFKNIPIGFWWAVVTMTTLGYGDMYPQTWSGMLVGALCALAGVLTIAMPVPVIVNNFGMYYSLAMAKQKLPKKKKKHIPRPPQLGSPNYCKSVVNSPHHSTQSDTCPLAQEEILEINRADSKLNGEVAKAALANEDCPHIDQALTPDEGLPFTRSGTRERYGPCFLLSTGEYACPPGGGMRKDLCKESPVIAKYMPTEAVRVT 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[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 minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f6279982ff000e/tmp/folded.pdb (00:16:45)
[INFO] Main: Simulation completed successfully. (00:26:55)
|
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 | 0.4815 | |
| 2 | G | A | -0.7541 | |
| 3 | Q | A | -2.0694 | |
| 4 | G | A | -2.3575 | |
| 5 | D | A | -3.5867 | |
| 6 | E | A | -3.5180 | |
| 7 | S | A | -2.3712 | |
| 8 | E | A | -2.4681 | |
| 9 | R | A | -2.5532 | |
| 10 | I | A | 0.0000 | |
| 11 | V | A | -1.0679 | |
| 12 | I | A | 0.0000 | |
| 13 | N | A | -1.4131 | |
| 14 | V | A | 0.0000 | |
| 15 | G | A | -1.6931 | |
| 16 | G | A | -1.4239 | |
| 17 | T | A | -1.5435 | |
| 18 | R | A | -2.2237 | |
| 19 | H | A | -1.5795 | |
| 20 | Q | A | -1.7087 | |
| 21 | T | A | 0.0000 | |
| 22 | Y | A | -1.5241 | |
| 23 | R | A | -1.3223 | |
| 24 | S | A | -1.2893 | |
| 25 | T | A | -1.3532 | |
| 26 | L | A | 0.0000 | |
| 27 | R | A | -2.1046 | |
| 28 | T | A | -1.3990 | |
| 29 | L | A | -0.9569 | |
| 30 | P | A | -0.9378 | |
| 31 | G | A | -0.8746 | |
| 32 | T | A | -0.9706 | |
| 33 | R | A | -0.5851 | |
| 34 | L | A | 0.0000 | |
| 35 | A | A | -1.0793 | |
| 36 | W | A | -0.7215 | |
| 37 | L | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | E | A | -2.1352 | |
| 40 | P | A | -1.5458 | |
| 41 | D | A | -1.9293 | |
| 42 | A | A | 0.0000 | |
| 43 | H | A | -1.9048 | |
| 44 | S | A | -1.4432 | |
| 45 | H | A | -1.4265 | |
| 46 | F | A | -1.1672 | |
| 47 | D | A | -1.8621 | |
| 48 | Y | A | -1.4081 | |
| 49 | D | A | -1.7948 | |
| 50 | P | A | -2.1339 | |
| 51 | R | A | -2.5558 | |
| 52 | A | A | -1.8460 | |
| 53 | D | A | -2.2803 | |
| 54 | E | A | 0.0000 | |
| 55 | F | A | 0.0000 | |
| 56 | F | A | -0.5980 | |
| 57 | F | A | 0.0000 | |
| 58 | D | A | -2.2507 | |
| 59 | R | A | -1.4669 | |
| 60 | H | A | -1.1228 | |
| 61 | P | A | -1.2477 | |
| 62 | G | A | -0.7764 | |
| 63 | V | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | A | A | -0.4645 | |
| 66 | H | A | -1.0525 | |
| 67 | I | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | N | A | -1.7727 | |
| 70 | Y | A | 0.0000 | |
| 71 | Y | A | 0.0000 | |
| 72 | R | A | -2.4134 | |
| 73 | T | A | -1.8267 | |
| 74 | G | A | -1.8732 | |
| 75 | K | A | -2.4864 | |
| 76 | L | A | 0.0000 | |
| 77 | H | A | -1.0005 | |
| 78 | C | A | -0.3561 | |
| 79 | P | A | -0.6053 | |
| 80 | A | A | -0.7148 | |
| 81 | D | A | -1.6072 | |
| 82 | V | A | -0.3894 | |
| 83 | C | A | -0.1368 | |
| 84 | G | A | 0.0000 | |
| 85 | P | A | -0.8811 | |
| 86 | L | A | -0.3857 | |
| 87 | Y | A | 0.0000 | |
| 88 | E | A | -1.9874 | |
| 89 | E | A | -2.0043 | |
| 90 | E | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | A | A | -1.2609 | |
| 93 | F | A | -0.4801 | |
| 94 | W | A | 0.0000 | |
| 95 | G | A | -1.0388 | |
| 96 | I | A | 0.0000 | |
| 97 | D | A | -2.4880 | |
| 98 | E | A | -1.9459 | |
| 99 | T | A | -1.3272 | |
| 100 | D | A | -2.0057 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | -0.8027 | |
| 103 | P | A | 0.0867 | |
| 104 | C | A | 0.7548 | |
| 105 | C | A | 0.4586 | |
| 106 | W | A | 0.2705 | |
| 107 | M | A | 0.6817 | |
| 108 | T | A | 0.1314 | |
| 109 | Y | A | 0.0000 | |
| 110 | R | A | -1.2448 | |
| 111 | Q | A | -1.4768 | |
| 112 | H | A | -1.6016 | |
| 113 | R | A | -2.3634 | |
| 114 | D | A | -2.3716 | |
| 115 | A | A | 0.0000 | |
| 116 | E | A | -2.8761 | |
| 117 | E | A | -3.3156 | |
| 118 | A | A | -2.2842 | |
| 119 | L | A | 0.0000 | |
| 120 | D | A | -3.0360 | |
| 121 | S | A | -1.7832 | |
| 122 | F | A | -1.0706 | |
| 123 | G | A | -1.2594 | |
| 124 | G | A | -1.0929 | |
| 125 | A | A | -0.5947 | |
| 126 | P | A | -0.6081 | |
| 127 | L | A | 0.0773 | |
| 128 | D | A | -1.7769 | |
| 129 | N | A | -2.1188 | |
| 130 | S | A | -1.9709 | |
| 131 | A | A | -1.8116 | |
| 132 | D | A | -3.0700 | |
| 133 | D | A | -3.0730 | |
| 134 | A | A | -2.2972 | |
| 135 | D | A | -2.7618 | |
| 136 | A | A | -2.0521 | |
| 137 | D | A | -2.4207 | |
| 138 | G | A | -1.7120 | |
| 139 | P | A | -1.4681 | |
| 140 | G | A | -1.7679 | |
| 141 | D | A | -2.3601 | |
| 142 | S | A | -1.7770 | |
| 143 | G | A | -2.1029 | |
| 144 | D | A | -3.0966 | |
| 145 | G | A | -2.9371 | |
| 146 | E | A | -3.5313 | |
| 147 | D | A | -3.8894 | |
| 148 | E | A | -3.3064 | |
| 149 | L | A | -1.5296 | |
| 150 | E | A | -2.3640 | |
| 151 | M | A | -1.2366 | |
| 152 | T | A | -0.8347 | |
| 153 | K | A | -1.4184 | |
| 154 | R | A | -1.3938 | |
| 155 | L | A | 0.5890 | |
| 156 | A | A | -0.0366 | |
| 157 | L | A | 0.3403 | |
| 158 | S | A | -0.5452 | |
| 159 | D | A | -1.7845 | |
| 160 | S | A | -1.4454 | |
| 161 | P | A | -1.9289 | |
| 162 | D | A | -2.9281 | |
| 163 | G | A | -2.5013 | |
| 164 | R | A | -2.7842 | |
| 165 | P | A | -1.5903 | |
| 166 | G | A | -1.1653 | |
| 167 | G | A | -0.2841 | |
| 168 | F | A | 1.2697 | |
| 169 | W | A | 0.4992 | |
| 170 | R | A | -1.8078 | |
| 171 | R | A | -1.7946 | |
| 172 | W | A | -0.5670 | |
| 173 | Q | A | -0.5302 | |
| 174 | P | A | -1.3262 | |
| 175 | R | A | -1.9781 | |
| 176 | I | A | -0.2498 | |
| 177 | W | A | -0.1364 | |
| 178 | A | A | -0.5609 | |
| 179 | L | A | -0.3269 | |
| 180 | F | A | 0.0000 | |
| 181 | E | A | -0.5619 | |
| 182 | D | A | -0.7487 | |
| 183 | P | A | 0.0000 | |
| 184 | Y | A | 0.4488 | |
| 185 | S | A | -0.4817 | |
| 186 | S | A | -0.7452 | |
| 187 | R | A | -1.2712 | |
| 188 | Y | A | 0.6982 | |
| 189 | A | A | 0.0000 | |
| 190 | R | A | -0.4862 | |
| 191 | Y | A | 1.4026 | |
| 192 | V | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | F | A | 2.5425 | |
| 195 | A | A | 1.8235 | |
| 196 | S | A | 1.5173 | |
| 197 | L | A | 2.3456 | |
| 198 | F | A | 2.7016 | |
| 199 | F | A | 2.1165 | |
| 200 | I | A | 0.0000 | |
| 201 | L | A | 2.3552 | |
| 202 | V | A | 1.8443 | |
| 203 | S | A | 0.0000 | |
| 204 | I | A | 1.6334 | |
| 205 | T | A | 1.0902 | |
| 206 | T | A | 0.0000 | |
| 207 | F | A | 1.1653 | |
| 208 | C | A | 1.0125 | |
| 209 | L | A | 0.0142 | |
| 210 | E | A | 0.0000 | |
| 211 | T | A | -0.8090 | |
| 212 | H | A | -2.0409 | |
| 213 | E | A | -2.8998 | |
| 214 | R | A | -2.8537 | |
| 215 | F | A | -1.6987 | |
| 216 | N | A | -1.7024 | |
| 217 | P | A | -0.8583 | |
| 218 | I | A | 0.6979 | |
| 219 | V | A | 0.1102 | |
| 220 | N | A | -1.2004 | |
| 221 | K | A | -1.1202 | |
| 222 | T | A | -0.8084 | |
| 223 | E | A | -0.9579 | |
| 224 | I | A | 0.0470 | |
| 225 | E | A | -2.3760 | |
| 226 | N | A | -2.5705 | |
| 227 | V | A | -1.9033 | |
| 228 | R | A | -2.9529 | |
| 229 | N | A | -2.5602 | |
| 230 | G | A | -1.9522 | |
| 231 | T | A | -1.7099 | |
| 232 | Q | A | -1.7584 | |
| 233 | V | A | -0.0964 | |
| 234 | R | A | -0.7119 | |
| 235 | Y | A | 0.1205 | |
| 236 | Y | A | -0.6163 | |
| 237 | R | A | -1.5516 | |
| 238 | E | A | -0.8306 | |
| 239 | A | A | -0.6149 | |
| 240 | E | A | -1.2221 | |
| 241 | T | A | -1.1622 | |
| 242 | E | A | -0.8079 | |
| 243 | A | A | 0.4241 | |
| 244 | F | A | 1.5513 | |
| 245 | L | A | 0.0000 | |
| 246 | T | A | 1.1738 | |
| 247 | Y | A | 2.1283 | |
| 248 | I | A | 2.0710 | |
| 249 | E | A | 0.0000 | |
| 250 | G | A | 1.9634 | |
| 251 | V | A | 2.2539 | |
| 252 | C | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | V | A | 2.6179 | |
| 255 | W | A | 1.8662 | |
| 256 | F | A | 0.0000 | |
| 257 | T | A | 1.9161 | |
| 258 | F | A | 2.0838 | |
| 259 | E | A | 0.0000 | |
| 260 | F | A | 1.7696 | |
| 261 | L | A | 2.1504 | |
| 262 | M | A | 1.6477 | |
| 263 | R | A | 0.0000 | |
| 264 | V | A | 1.4159 | |
| 265 | V | A | 1.6393 | |
| 266 | F | A | 0.6024 | |
| 267 | C | A | 0.1269 | |
| 268 | P | A | -0.3769 | |
| 269 | N | A | -1.0127 | |
| 270 | K | A | -0.6063 | |
| 271 | V | A | 0.4131 | |
| 272 | E | A | -1.3753 | |
| 273 | F | A | 0.0000 | |
| 274 | I | A | 0.9054 | |
| 275 | K | A | -1.2283 | |
| 276 | N | A | -0.9490 | |
| 277 | S | A | -0.0407 | |
| 278 | L | A | 0.5804 | |
| 279 | N | A | 0.0000 | |
| 280 | I | A | 1.5234 | |
| 281 | I | A | 1.6028 | |
| 282 | D | A | 0.0000 | |
| 283 | F | A | 2.1657 | |
| 284 | V | A | 1.5827 | |
| 285 | A | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | L | A | 1.3494 | |
| 288 | P | A | 0.0000 | |
| 289 | F | A | 1.2306 | |
| 290 | Y | A | 1.3522 | |
| 291 | L | A | 1.2473 | |
| 292 | E | A | 0.4361 | |
| 293 | V | A | 1.2099 | |
| 294 | G | A | 0.5602 | |
| 295 | L | A | 0.5562 | |
| 296 | S | A | 0.1475 | |
| 297 | G | A | 0.0798 | |
| 298 | L | A | 0.4506 | |
| 299 | S | A | -0.5015 | |
| 300 | S | A | -1.2887 | |
| 301 | K | A | -2.5163 | |
| 302 | A | A | -1.6209 | |
| 303 | A | A | 0.0000 | |
| 304 | K | A | -2.3605 | |
| 305 | D | A | -2.2475 | |
| 306 | V | A | -0.3194 | |
| 307 | L | A | -0.2598 | |
| 308 | G | A | -0.3511 | |
| 309 | F | A | 1.4245 | |
| 310 | L | A | 0.0000 | |
| 311 | R | A | -0.1191 | |
| 312 | V | A | 2.0989 | |
| 313 | V | A | 1.6494 | |
| 314 | R | A | 1.1511 | |
| 315 | F | A | 2.4519 | |
| 316 | V | A | 2.0571 | |
| 317 | R | A | 0.0000 | |
| 318 | I | A | 1.7989 | |
| 319 | L | A | 1.7770 | |
| 320 | R | A | 0.0000 | |
| 321 | I | A | 1.7148 | |
| 322 | F | A | 1.8321 | |
| 323 | K | A | 0.0000 | |
| 324 | L | A | 1.3746 | |
| 325 | T | A | 1.1571 | |
| 326 | R | A | 0.0000 | |
| 327 | H | A | 0.7961 | |
| 328 | F | A | 1.3046 | |
| 329 | V | A | 1.2348 | |
| 330 | G | A | 0.9866 | |
| 331 | L | A | 1.2529 | |
| 332 | R | A | 0.6583 | |
| 333 | V | A | 0.0000 | |
| 334 | L | A | 0.9491 | |
| 335 | G | A | 0.0537 | |
| 336 | H | A | -0.3979 | |
| 337 | T | A | 0.0000 | |
| 338 | L | A | -0.0428 | |
| 339 | R | A | -1.5823 | |
| 340 | A | A | -0.8508 | |
| 341 | S | A | 0.0000 | |
| 342 | T | A | -0.4054 | |
| 343 | N | A | -0.4486 | |
| 344 | E | A | 1.0242 | |
| 345 | F | A | 1.8842 | |
| 346 | L | A | 2.7692 | |
| 347 | L | A | 2.5039 | |
| 348 | L | A | 3.0697 | |
| 349 | I | A | 3.9618 | |
| 350 | I | A | 3.7946 | |
| 351 | F | A | 3.3626 | |
| 352 | L | A | 2.9812 | |
| 353 | A | A | 2.8032 | |
| 354 | L | A | 3.1975 | |
| 355 | G | A | 2.3923 | |
| 356 | V | A | 0.0000 | |
| 357 | L | A | 2.6068 | |
| 358 | I | A | 2.6717 | |
| 359 | F | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | T | A | 1.4298 | |
| 362 | M | A | 1.4866 | |
| 363 | I | A | 0.0000 | |
| 364 | Y | A | 0.8445 | |
| 365 | Y | A | 1.8048 | |
| 366 | A | A | 1.5830 | |
| 367 | E | A | 0.0000 | |
| 368 | R | A | 0.7367 | |
| 369 | I | A | 2.0534 | |
| 370 | G | A | 0.5011 | |
| 371 | A | A | -0.6402 | |
| 372 | Q | A | -1.3716 | |
| 373 | P | A | -1.3250 | |
| 374 | N | A | -1.9727 | |
| 375 | D | A | -1.7178 | |
| 376 | P | A | -1.1341 | |
| 377 | S | A | -1.2594 | |
| 378 | A | A | -1.0208 | |
| 379 | S | A | 0.0000 | |
| 380 | E | A | -2.5457 | |
| 381 | H | A | -1.6512 | |
| 382 | T | A | 0.0000 | |
| 383 | H | A | -1.2207 | |
| 384 | F | A | 0.0000 | |
| 385 | K | A | -2.1818 | |
| 386 | N | A | -0.8500 | |
| 387 | I | A | 0.8094 | |
| 388 | P | A | 0.5236 | |
| 389 | I | A | 0.8239 | |
| 390 | G | A | 0.0000 | |
| 391 | F | A | 1.8708 | |
| 392 | W | A | 1.6616 | |
| 393 | W | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | V | A | 1.3630 | |
| 396 | V | A | 0.0000 | |
| 397 | T | A | 1.3682 | |
| 398 | M | A | 0.0000 | |
| 399 | T | A | 0.9624 | |
| 400 | T | A | 1.2506 | |
| 401 | L | A | 1.6762 | |
| 402 | G | A | 0.7005 | |
| 403 | Y | A | 0.9133 | |
| 404 | G | A | -0.3040 | |
| 405 | D | A | -1.4313 | |
| 406 | M | A | -0.1327 | |
| 407 | Y | A | 0.5952 | |
| 408 | P | A | 0.6699 | |
| 409 | Q | A | -0.1325 | |
| 410 | T | A | 0.8727 | |
| 411 | W | A | 1.6849 | |
| 412 | S | A | 1.4693 | |
| 413 | G | A | 0.0000 | |
| 414 | M | A | 1.7330 | |
| 415 | L | A | 2.0831 | |
| 416 | V | A | 1.5258 | |
| 417 | G | A | 1.5530 | |
| 418 | A | A | 1.5628 | |
| 419 | L | A | 2.0938 | |
| 420 | C | A | 0.0000 | |
| 421 | A | A | 1.8753 | |
| 422 | L | A | 2.8143 | |
| 423 | A | A | 2.2702 | |
| 424 | G | A | 0.0000 | |
| 425 | V | A | 3.0299 | |
| 426 | L | A | 3.0319 | |
| 427 | T | A | 2.7073 | |
| 428 | I | A | 2.3544 | |
| 429 | A | A | 1.9180 | |
| 430 | M | A | 1.8876 | |
| 431 | P | A | 0.0000 | |
| 432 | V | A | 1.6949 | |
| 433 | P | A | 1.1752 | |
| 434 | V | A | 1.3091 | |
| 435 | I | A | 1.4109 | |
| 436 | V | A | 1.7333 | |
| 437 | N | A | 0.0744 | |
| 438 | N | A | 0.4891 | |
| 439 | F | A | 1.1985 | |
| 440 | G | A | 0.3641 | |
| 441 | M | A | 0.2020 | |
| 442 | Y | A | 0.0000 | |
| 443 | Y | A | 0.9300 | |
| 444 | S | A | 0.1225 | |
| 445 | L | A | -0.1290 | |
| 446 | A | A | 0.0000 | |
| 447 | M | A | -0.3116 | |
| 448 | A | A | -0.7260 | |
| 449 | K | A | -1.8440 | |
| 450 | Q | A | -2.1036 | |
| 451 | K | A | -1.9617 | |
| 452 | L | A | -1.2379 | |
| 453 | P | A | -2.0857 | |
| 454 | K | A | -3.5236 | |
| 455 | K | A | -4.0140 | |
| 456 | K | A | -4.5229 | |
| 457 | K | A | -4.2377 | |
| 458 | K | A | -3.2928 | |
| 459 | H | A | -1.8932 | |
| 460 | I | A | 0.1928 | |
| 461 | P | A | -0.8757 | |
| 462 | R | A | -1.9925 | |
| 463 | P | A | -1.1311 | |
| 464 | P | A | -1.1477 | |
| 465 | Q | A | -1.1404 | |
| 466 | L | A | 0.5418 | |
| 467 | G | A | -0.4543 | |
| 468 | S | A | -0.5263 | |
| 469 | P | A | -0.5433 | |
| 470 | N | A | -0.8579 | |
| 471 | Y | A | 0.4946 | |
| 472 | C | A | 0.2716 | |
| 473 | K | A | -0.6628 | |
| 474 | S | A | 0.4359 | |
| 475 | V | A | 1.9472 | |
| 476 | V | A | 1.6802 | |
| 477 | N | A | -0.1570 | |
| 478 | S | A | -0.7601 | |
| 479 | P | A | -1.1258 | |
| 480 | H | A | -1.7389 | |
| 481 | H | A | -1.7048 | |
| 482 | S | A | -1.1503 | |
| 483 | T | A | -0.9949 | |
| 484 | Q | A | -1.8050 | |
| 485 | S | A | -1.8612 | |
| 486 | D | A | -2.0738 | |
| 487 | T | A | -0.6585 | |
| 488 | C | A | 0.5286 | |
| 489 | P | A | 0.7644 | |
| 490 | L | A | 1.1295 | |
| 491 | A | A | -0.4997 | |
| 492 | Q | A | -1.8105 | |
| 493 | E | A | -2.7755 | |
| 494 | E | A | -2.2643 | |
| 495 | I | A | -0.5103 | |
| 496 | L | A | -0.8235 | |
| 497 | E | A | -2.0592 | |
| 498 | I | A | -0.2059 | |
| 499 | N | A | -2.0568 | |
| 500 | R | A | -2.9151 | |
| 501 | A | A | -2.2292 | |
| 502 | D | A | -3.0071 | |
| 503 | S | A | -2.8456 | |
| 504 | K | A | -3.0343 | |
| 505 | L | A | -1.3290 | |
| 506 | N | A | -2.0442 | |
| 507 | G | A | -2.0533 | |
| 508 | E | A | -1.9957 | |
| 509 | V | A | -0.2681 | |
| 510 | A | A | -0.5708 | |
| 511 | K | A | -1.6186 | |
| 512 | A | A | -0.8021 | |
| 513 | A | A | -0.2707 | |
| 514 | L | A | -0.1872 | |
| 515 | A | A | -0.9493 | |
| 516 | N | A | -2.2314 | |
| 517 | E | A | -2.7311 | |
| 518 | D | A | -2.6422 | |
| 519 | C | A | -1.0963 | |
| 520 | P | A | -0.7701 | |
| 521 | H | A | -1.1178 | |
| 522 | I | A | 0.3853 | |
| 523 | D | A | -1.5109 | |
| 524 | Q | A | -1.3013 | |
| 525 | A | A | -0.0769 | |
| 526 | L | A | 0.7553 | |
| 527 | T | A | 0.0256 | |
| 528 | P | A | -1.1879 | |
| 529 | D | A | -2.7287 | |
| 530 | E | A | -2.6322 | |
| 531 | G | A | -1.0273 | |
| 532 | L | A | 1.2039 | |
| 533 | P | A | 1.3001 | |
| 534 | F | A | 1.7360 | |
| 535 | T | A | -0.1264 | |
| 536 | R | A | -1.7113 | |
| 537 | S | A | -1.4976 | |
| 538 | G | A | -1.4310 | |
| 539 | T | A | -1.6780 | |
| 540 | R | A | -3.2503 | |
| 541 | E | A | -3.3866 | |
| 542 | R | A | -2.5358 | |
| 543 | Y | A | -0.1259 | |
| 544 | G | A | 0.0807 | |
| 545 | P | A | 0.8330 | |
| 546 | C | A | 2.1590 | |
| 547 | F | A | 3.2614 | |
| 548 | L | A | 3.3508 | |
| 549 | L | A | 2.6614 | |
| 550 | S | A | 0.9963 | |
| 551 | T | A | -0.2649 | |
| 552 | G | A | -0.9647 | |
| 553 | E | A | -1.4124 | |
| 554 | Y | A | 0.5106 | |
| 555 | A | A | 0.5835 | |
| 556 | C | A | 0.8022 | |
| 557 | P | A | -0.1023 | |
| 558 | P | A | -0.5174 | |
| 559 | G | A | -0.8969 | |
| 560 | G | A | -0.7638 | |
| 561 | G | A | -0.9091 | |
| 562 | M | A | -0.9421 | |
| 563 | R | A | -2.5405 | |
| 564 | K | A | -2.9312 | |
| 565 | D | A | -2.0596 | |
| 566 | L | A | 0.0643 | |
| 567 | C | A | -0.0746 | |
| 568 | K | A | -1.9626 | |
| 569 | E | A | -2.5434 | |
| 570 | S | A | -1.2092 | |
| 571 | P | A | 0.5505 | |
| 572 | V | A | 2.3901 | |
| 573 | I | A | 2.4787 | |
| 574 | A | A | 0.9433 | |
| 575 | K | A | -0.1884 | |
| 576 | Y | A | 0.9373 | |
| 577 | M | A | 0.9829 | |
| 578 | P | A | -0.1022 | |
| 579 | T | A | -0.5037 | |
| 580 | E | A | -1.5893 | |
| 581 | A | A | -0.2997 | |
| 582 | V | A | 0.9474 | |
| 583 | R | A | -0.3261 | |
| 584 | V | A | 1.2997 | |
| 585 | T | A | 0.5845 |
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 | 0.2082 | 6.7197 | View | CSV | PDB |
| 4.5 | 0.1339 | 6.7197 | View | CSV | PDB |
| 5.0 | 0.0408 | 6.7197 | View | CSV | PDB |
| 5.5 | -0.0553 | 6.7197 | View | CSV | PDB |
| 6.0 | -0.1379 | 6.7197 | View | CSV | PDB |
| 6.5 | -0.1957 | 6.7197 | View | CSV | PDB |
| 7.0 | -0.228 | 6.7197 | View | CSV | PDB |
| 7.5 | -0.2428 | 6.7197 | View | CSV | PDB |
| 8.0 | -0.2475 | 6.7197 | View | CSV | PDB |
| 8.5 | -0.2437 | 6.7197 | View | CSV | PDB |
| 9.0 | -0.2292 | 6.7197 | 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