| Chain sequence(s) | GADGVGNSSGNWHCDSTWMGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLSRTNTPSGTTTQSRLQFSQAGASDIRDQSRNWLPGPCYRQQRVSKTSADNNNSEYSWTGATKYHLNGRDSLVNPGPAMASHKDDEEKFFPQSGVLIFGKQGSEKTNVDIEKVMITDEEEIRTTNPVATEQYGSVSTNLQRGNRQAATADVNTQGVLPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPSTTFSAAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNL 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max 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 (00:04:35)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b1d712a7cc93e7/tmp/folded.pdb (00:04:35)
[INFO] Main: Simulation completed successfully. (00:12:14)
|
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 | |
| 15 | G | A | -1.2150 | |
| 16 | A | A | -1.2077 | |
| 17 | D | A | -2.1497 | |
| 18 | G | A | -1.0902 | |
| 19 | V | A | 0.5888 | |
| 20 | G | A | -0.6840 | |
| 21 | N | A | -1.7088 | |
| 22 | S | A | -1.2641 | |
| 23 | S | A | -1.4920 | |
| 24 | G | A | -1.3157 | |
| 25 | N | A | -1.2140 | |
| 26 | W | A | -0.3702 | |
| 27 | H | A | -1.2535 | |
| 28 | C | A | -1.0629 | |
| 29 | D | A | -1.8549 | |
| 30 | S | A | -0.8693 | |
| 31 | T | A | -0.1591 | |
| 32 | W | A | -0.0681 | |
| 33 | M | A | 0.3240 | |
| 34 | G | A | -0.7705 | |
| 35 | D | A | -1.5718 | |
| 36 | R | A | -0.8959 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.3007 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | -0.9356 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.4488 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.7421 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0695 | |
| 49 | T | A | -0.2952 | |
| 50 | Y | A | -0.3141 | |
| 51 | N | A | -0.8343 | |
| 52 | N | A | -1.1509 | |
| 53 | H | A | -0.4003 | |
| 54 | L | A | 0.0464 | |
| 55 | Y | A | -0.2919 | |
| 56 | K | A | -1.2670 | |
| 57 | Q | A | -0.9106 | |
| 58 | I | A | -0.1820 | |
| 59 | S | A | -0.3883 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5432 | |
| 62 | S | A | -1.1079 | |
| 63 | G | A | -1.3058 | |
| 64 | A | A | -1.5702 | |
| 65 | S | A | -1.9010 | |
| 66 | N | A | -2.6880 | |
| 67 | D | A | -2.5915 | |
| 68 | N | A | -2.4734 | |
| 69 | H | A | -2.0777 | |
| 70 | Y | A | -0.3097 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | 0.2573 | |
| 74 | S | A | -0.2670 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | W | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | N | A | 0.0000 | |
| 84 | R | A | -0.7628 | |
| 85 | F | A | 0.0000 | |
| 86 | H | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | H | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | S | A | -1.0437 | |
| 91 | P | A | -1.1824 | |
| 92 | R | A | -2.1376 | |
| 93 | D | A | -1.8262 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -1.9592 | |
| 96 | R | A | -2.2690 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | N | A | -2.2431 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | -1.2023 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.9240 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -1.9074 | |
| 108 | R | A | -2.4603 | |
| 109 | L | A | 0.0000 | |
| 110 | N | A | -1.6490 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.2000 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.3668 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.2092 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.5702 | |
| 120 | E | A | -0.2008 | |
| 121 | V | A | -0.0001 | |
| 122 | T | A | -0.8665 | |
| 123 | Q | A | -2.2203 | |
| 124 | N | A | -2.9038 | |
| 125 | D | A | -2.9331 | |
| 126 | G | A | -2.0860 | |
| 127 | T | A | -1.6954 | |
| 128 | T | A | -0.9468 | |
| 129 | T | A | -0.1093 | |
| 130 | I | A | 0.6438 | |
| 131 | A | A | -0.1373 | |
| 132 | N | A | -1.1941 | |
| 133 | N | A | -0.7832 | |
| 134 | L | A | 0.0472 | |
| 135 | T | A | -0.3084 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | -0.3633 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.4018 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.4194 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.2882 | |
| 145 | E | A | -2.2132 | |
| 146 | Y | A | -1.2949 | |
| 147 | Q | A | -1.2763 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.4209 | |
| 150 | Y | A | 0.0910 | |
| 151 | V | A | 0.3486 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.3739 | |
| 154 | S | A | -0.5163 | |
| 155 | A | A | -0.7133 | |
| 156 | H | A | -1.3182 | |
| 157 | Q | A | -1.6434 | |
| 158 | G | A | -0.6518 | |
| 159 | C | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | -0.0866 | |
| 162 | P | A | -0.2628 | |
| 163 | F | A | 0.2947 | |
| 164 | P | A | -0.0574 | |
| 165 | A | A | -0.2460 | |
| 166 | D | A | -0.5822 | |
| 167 | V | A | 1.2955 | |
| 168 | F | A | 1.1125 | |
| 169 | M | A | 1.4236 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.2287 | |
| 172 | Q | A | -0.3353 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | -0.0142 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 1.9380 | |
| 177 | T | A | 1.2200 | |
| 178 | L | A | 0.3140 | |
| 179 | N | A | -0.6594 | |
| 180 | N | A | -1.7647 | |
| 181 | G | A | -1.8503 | |
| 182 | S | A | -1.5262 | |
| 183 | Q | A | -1.3681 | |
| 184 | A | A | -0.9391 | |
| 185 | V | A | -0.5111 | |
| 186 | G | A | -0.9149 | |
| 187 | R | A | -1.5533 | |
| 188 | S | A | -0.2237 | |
| 189 | S | A | 0.6362 | |
| 190 | F | A | 1.5468 | |
| 191 | Y | A | 1.1200 | |
| 192 | C | A | 0.8262 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.1991 | |
| 195 | Y | A | 1.0116 | |
| 196 | F | A | 0.2599 | |
| 197 | P | A | -0.2128 | |
| 198 | S | A | -0.4808 | |
| 199 | Q | A | -1.0327 | |
| 200 | M | A | 0.0405 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.4803 | |
| 203 | T | A | -1.2557 | |
| 204 | G | A | -1.7519 | |
| 205 | N | A | -1.7744 | |
| 206 | N | A | -1.6055 | |
| 207 | F | A | 0.0000 | |
| 208 | T | A | -0.6399 | |
| 209 | F | A | -0.3013 | |
| 210 | S | A | -0.9295 | |
| 211 | Y | A | -0.9702 | |
| 212 | T | A | -1.5466 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0972 | |
| 215 | D | A | -2.1053 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.4898 | |
| 218 | F | A | -0.1394 | |
| 219 | H | A | -0.1676 | |
| 220 | S | A | -0.1367 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | -0.3931 | |
| 223 | A | A | -0.4318 | |
| 224 | H | A | -0.8666 | |
| 225 | S | A | -0.9735 | |
| 226 | Q | A | -1.2225 | |
| 227 | S | A | -1.1795 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -2.3024 | |
| 230 | R | A | -2.3066 | |
| 231 | L | A | -0.6348 | |
| 232 | M | A | -0.2684 | |
| 233 | N | A | -0.0792 | |
| 234 | P | A | 0.3944 | |
| 235 | L | A | 1.7933 | |
| 236 | I | A | 1.7555 | |
| 237 | D | A | -0.4224 | |
| 238 | Q | A | 0.4347 | |
| 239 | Y | A | 1.4562 | |
| 240 | L | A | 1.6242 | |
| 241 | Y | A | 2.2562 | |
| 242 | Y | A | 1.3247 | |
| 243 | L | A | 1.3753 | |
| 244 | S | A | 0.0688 | |
| 245 | R | A | -1.7752 | |
| 246 | T | A | -1.5275 | |
| 247 | N | A | -2.7041 | |
| 248 | T | A | -1.9073 | |
| 249 | P | A | -1.2218 | |
| 250 | S | A | -0.9781 | |
| 251 | G | A | -0.7668 | |
| 252 | T | A | -0.4117 | |
| 253 | T | A | -0.6113 | |
| 254 | T | A | -1.4470 | |
| 255 | Q | A | -2.0596 | |
| 256 | S | A | -2.2220 | |
| 257 | R | A | -2.5617 | |
| 258 | L | A | -0.2298 | |
| 259 | Q | A | -0.2656 | |
| 260 | F | A | 1.8970 | |
| 261 | S | A | 0.9021 | |
| 262 | Q | A | 0.3392 | |
| 263 | A | A | 0.0000 | |
| 264 | G | A | 0.0000 | |
| 265 | A | A | -0.0779 | |
| 266 | S | A | -0.7007 | |
| 267 | D | A | -1.0938 | |
| 268 | I | A | -1.3466 | |
| 269 | R | A | -2.4442 | |
| 270 | D | A | -1.1174 | |
| 271 | Q | A | 0.0000 | |
| 272 | S | A | -0.6265 | |
| 273 | R | A | -1.4982 | |
| 274 | N | A | -1.1268 | |
| 275 | W | A | 0.2532 | |
| 276 | L | A | 0.8064 | |
| 277 | P | A | 0.5879 | |
| 278 | G | A | 0.0000 | |
| 279 | P | A | 0.3570 | |
| 280 | C | A | 0.0000 | |
| 281 | Y | A | -0.5961 | |
| 282 | R | A | -1.3701 | |
| 283 | Q | A | 0.0000 | |
| 284 | Q | A | -1.4943 | |
| 285 | R | A | -1.7814 | |
| 286 | V | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | K | A | -1.8011 | |
| 289 | T | A | -1.1136 | |
| 290 | S | A | -1.1995 | |
| 291 | A | A | -1.3145 | |
| 292 | D | A | -2.1664 | |
| 293 | N | A | -2.3252 | |
| 294 | N | A | -2.6792 | |
| 295 | N | A | -2.5971 | |
| 296 | S | A | -2.1085 | |
| 297 | E | A | -2.2548 | |
| 298 | Y | A | -1.1494 | |
| 299 | S | A | -0.4626 | |
| 300 | W | A | 0.1717 | |
| 301 | T | A | -0.2345 | |
| 302 | G | A | -0.6282 | |
| 303 | A | A | 0.0000 | |
| 304 | T | A | -0.1880 | |
| 305 | K | A | 0.1335 | |
| 306 | Y | A | 0.7809 | |
| 307 | H | A | -0.7996 | |
| 308 | L | A | -0.4972 | |
| 309 | N | A | -1.7317 | |
| 310 | G | A | -1.7191 | |
| 311 | R | A | -2.0654 | |
| 312 | D | A | -1.4412 | |
| 313 | S | A | -0.3203 | |
| 314 | L | A | 0.3543 | |
| 315 | V | A | 0.0000 | |
| 316 | N | A | -0.7259 | |
| 317 | P | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | P | A | -0.0267 | |
| 320 | A | A | 0.0637 | |
| 321 | M | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | H | A | 0.0000 | |
| 325 | K | A | -2.7381 | |
| 326 | D | A | -3.6193 | |
| 327 | D | A | -3.6457 | |
| 328 | E | A | -3.1923 | |
| 329 | E | A | -3.7241 | |
| 330 | K | A | -2.5802 | |
| 331 | F | A | -2.0994 | |
| 332 | F | A | 0.0000 | |
| 333 | P | A | 0.0000 | |
| 334 | Q | A | -0.9206 | |
| 335 | S | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | L | A | 0.5404 | |
| 339 | I | A | 1.2396 | |
| 340 | F | A | 0.1480 | |
| 341 | G | A | -1.7401 | |
| 342 | K | A | -2.6272 | |
| 343 | Q | A | -2.2754 | |
| 344 | G | A | -2.1201 | |
| 345 | S | A | -2.9363 | |
| 346 | E | A | -3.5791 | |
| 347 | K | A | -2.9111 | |
| 348 | T | A | -2.0912 | |
| 349 | N | A | -2.1437 | |
| 350 | V | A | -2.1929 | |
| 351 | D | A | -2.4076 | |
| 352 | I | A | -1.1603 | |
| 353 | E | A | -2.4954 | |
| 354 | K | A | -2.9304 | |
| 355 | V | A | -1.2319 | |
| 356 | M | A | 0.0000 | |
| 357 | I | A | 0.2997 | |
| 358 | T | A | 0.0000 | |
| 359 | D | A | -1.3378 | |
| 360 | E | A | 0.0000 | |
| 361 | E | A | -2.1960 | |
| 362 | E | A | -1.4149 | |
| 363 | I | A | 0.0000 | |
| 364 | R | A | -1.2352 | |
| 365 | T | A | -0.9071 | |
| 366 | T | A | 0.0000 | |
| 367 | N | A | 0.0000 | |
| 368 | P | A | -0.4445 | |
| 369 | V | A | -0.6637 | |
| 370 | A | A | 0.0000 | |
| 371 | T | A | -1.4079 | |
| 372 | E | A | -1.9282 | |
| 373 | Q | A | -2.0180 | |
| 374 | Y | A | -0.9096 | |
| 375 | G | A | -0.7756 | |
| 376 | S | A | -0.3200 | |
| 377 | V | A | 1.0726 | |
| 378 | S | A | 0.2589 | |
| 379 | T | A | -0.1342 | |
| 380 | N | A | -0.8326 | |
| 381 | L | A | -0.3786 | |
| 382 | Q | A | -2.8788 | |
| 383 | R | A | -3.6400 | |
| 384 | G | A | -2.9623 | |
| 385 | N | A | -3.4098 | |
| 386 | R | A | -4.0369 | |
| 387 | Q | A | -3.1165 | |
| 388 | A | A | -1.6216 | |
| 389 | A | A | -0.5594 | |
| 390 | T | A | -0.1299 | |
| 391 | A | A | -0.6805 | |
| 392 | D | A | -1.9032 | |
| 393 | V | A | -1.1229 | |
| 394 | N | A | -1.6774 | |
| 395 | T | A | -0.9423 | |
| 396 | Q | A | -0.3299 | |
| 397 | G | A | 0.0965 | |
| 398 | V | A | 1.2980 | |
| 399 | L | A | 1.0168 | |
| 400 | P | A | 0.4708 | |
| 401 | G | A | 0.3011 | |
| 402 | M | A | 0.0000 | |
| 403 | V | A | 1.0997 | |
| 404 | W | A | 0.3560 | |
| 405 | Q | A | -0.3516 | |
| 406 | D | A | -0.5222 | |
| 407 | R | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | Y | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | Q | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | P | A | -0.3779 | |
| 415 | I | A | 0.0000 | |
| 416 | W | A | 0.0000 | |
| 417 | A | A | -0.5231 | |
| 418 | K | A | -1.3407 | |
| 419 | I | A | 0.0000 | |
| 420 | P | A | -1.5814 | |
| 421 | H | A | -2.0567 | |
| 422 | T | A | -1.8180 | |
| 423 | D | A | -2.4644 | |
| 424 | G | A | -1.5605 | |
| 425 | H | A | -0.9381 | |
| 426 | F | A | 1.1510 | |
| 427 | H | A | -0.0621 | |
| 428 | P | A | -0.2564 | |
| 429 | S | A | 0.0215 | |
| 430 | P | A | 0.2217 | |
| 431 | L | A | 0.9044 | |
| 432 | M | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | G | A | -0.0687 | |
| 435 | F | A | 0.0000 | |
| 436 | G | A | -0.8047 | |
| 437 | L | A | 0.0000 | |
| 438 | K | A | -2.6206 | |
| 439 | H | A | -2.2282 | |
| 440 | P | A | 0.0000 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | Q | A | 0.0000 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | K | A | 0.0000 | |
| 448 | N | A | 0.0000 | |
| 449 | T | A | 0.1900 | |
| 450 | P | A | 0.1482 | |
| 451 | V | A | 0.5410 | |
| 452 | P | A | 0.2333 | |
| 453 | A | A | -0.2251 | |
| 454 | N | A | -1.3219 | |
| 455 | P | A | -0.6047 | |
| 456 | S | A | -0.2889 | |
| 457 | T | A | 0.0077 | |
| 458 | T | A | 0.6737 | |
| 459 | F | A | 1.7289 | |
| 460 | S | A | 0.5611 | |
| 461 | A | A | 0.1600 | |
| 462 | A | A | -0.2639 | |
| 463 | K | A | -1.1502 | |
| 464 | F | A | 0.3043 | |
| 465 | A | A | 0.0392 | |
| 466 | S | A | -0.1776 | |
| 467 | F | A | 0.3232 | |
| 468 | I | A | 0.5840 | |
| 469 | T | A | 0.1282 | |
| 470 | Q | A | 0.0000 | |
| 471 | Y | A | 0.3328 | |
| 472 | S | A | 0.0000 | |
| 473 | T | A | 0.0968 | |
| 474 | G | A | 0.0000 | |
| 475 | Q | A | -0.3578 | |
| 476 | V | A | 0.0000 | |
| 477 | S | A | -0.7691 | |
| 478 | V | A | 0.0000 | |
| 479 | E | A | -1.4954 | |
| 480 | I | A | 0.0000 | |
| 481 | E | A | 0.0000 | |
| 482 | W | A | 0.0000 | |
| 483 | E | A | -1.1677 | |
| 484 | L | A | 0.0000 | |
| 485 | Q | A | -2.1645 | |
| 486 | K | A | -3.0865 | |
| 487 | E | A | -2.7591 | |
| 488 | N | A | -2.8137 | |
| 489 | S | A | -2.2916 | |
| 490 | K | A | -2.3701 | |
| 491 | R | A | -1.7358 | |
| 492 | W | A | -0.0997 | |
| 493 | N | A | -0.8777 | |
| 494 | P | A | -0.3419 | |
| 495 | E | A | 0.2380 | |
| 496 | I | A | 1.6282 | |
| 497 | Q | A | 0.2430 | |
| 498 | Y | A | -0.1249 | |
| 499 | T | A | -0.1896 | |
| 500 | S | A | -0.7256 | |
| 501 | N | A | -1.2432 | |
| 502 | Y | A | -0.3781 | |
| 503 | N | A | -1.9277 | |
| 504 | K | A | -1.8064 | |
| 505 | S | A | -0.3352 | |
| 506 | V | A | 1.2506 | |
| 507 | N | A | 0.5725 | |
| 508 | V | A | 1.1782 | |
| 509 | D | A | 0.1990 | |
| 510 | F | A | 0.0000 | |
| 511 | T | A | 0.5433 | |
| 512 | V | A | 0.4202 | |
| 513 | D | A | -0.3796 | |
| 514 | T | A | -0.9253 | |
| 515 | N | A | -1.3487 | |
| 516 | G | A | -0.8285 | |
| 517 | V | A | -0.0919 | |
| 518 | Y | A | -0.0403 | |
| 519 | S | A | -0.4050 | |
| 520 | E | A | -0.8664 | |
| 521 | P | A | -0.8219 | |
| 522 | R | A | -0.8587 | |
| 523 | P | A | -0.3948 | |
| 524 | I | A | 0.0000 | |
| 525 | G | A | -0.2374 | |
| 526 | T | A | 0.0000 | |
| 527 | R | A | 0.0000 | |
| 528 | Y | A | 0.5405 | |
| 529 | L | A | 0.0000 | |
| 530 | T | A | -0.5604 | |
| 531 | R | A | -1.7975 | |
| 532 | N | A | -1.2322 | |
| 533 | L | A | 0.3114 |
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 | -0.3412 | 4.4053 | View | CSV | PDB |
| 4.5 | -0.3867 | 4.2206 | View | CSV | PDB |
| 5.0 | -0.4393 | 4.0225 | View | CSV | PDB |
| 5.5 | -0.4911 | 4.0225 | View | CSV | PDB |
| 6.0 | -0.5346 | 4.0225 | View | CSV | PDB |
| 6.5 | -0.5645 | 4.0225 | View | CSV | PDB |
| 7.0 | -0.5819 | 4.0225 | View | CSV | PDB |
| 7.5 | -0.5918 | 4.0225 | View | CSV | PDB |
| 8.0 | -0.5971 | 4.0225 | View | CSV | PDB |
| 8.5 | -0.5967 | 4.0225 | View | CSV | PDB |
| 9.0 | -0.5883 | 4.0225 | 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