| Chain sequence(s) | GVGNASGDWHCDSTWSEGHVTTTSTRTWVLPTYNNHLYKRLGESLQSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGMRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGLVTGNTSQQQTDRNAFYCLEYFPSQMLRTGNNFEITYSFEKVPFHSMYAHSQSLDRLMNPLIDQYLWGLQSTTTGTTLNAGTATTNFTKLRPTNFSNFKKNWLPGPSIKQQGFSKTANQNYKIPATGSDSLIKYETHSTLDGRWSALTPGPPMATAGPADSKFSNSQLIFAGPKQNGNTATVPGTLIFTSEEELAATNATDTDMWGNLPGGDQSNSNLPTVDRLTALGAVPGMVWQNRDIYYQGPIWAKIPHTDGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFSSTPVNSFITQYSTGQVSVQIDWEIQKERSKRWNPEVQFTSNYGQQNSLLWAPDAAGKYTEPRAIGTRYLTHHL 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 globular. Max 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 (00:03:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a922b84bbf214a/tmp/folded.pdb (00:03:41)
[INFO] Main: Simulation completed successfully. (00:12:29)
|
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 | |
| 18 | G | A | -0.4384 | |
| 19 | V | A | 0.7477 | |
| 20 | G | A | -0.4009 | |
| 21 | N | A | -1.2340 | |
| 22 | A | A | -1.0694 | |
| 23 | S | A | -1.1144 | |
| 24 | G | A | -1.3652 | |
| 25 | D | A | -1.6177 | |
| 26 | W | A | -0.5249 | |
| 27 | H | A | -1.1916 | |
| 28 | C | A | -0.9655 | |
| 29 | D | A | -1.7905 | |
| 30 | S | A | -0.9920 | |
| 31 | T | A | -0.5753 | |
| 32 | W | A | -0.8128 | |
| 33 | S | A | -1.2079 | |
| 34 | E | A | -2.2711 | |
| 35 | G | A | -1.5807 | |
| 36 | H | A | -1.4833 | |
| 37 | V | A | 0.0000 | |
| 38 | T | A | -0.7420 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.2456 | |
| 45 | W | A | 0.0000 | |
| 46 | V | A | 0.9766 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.1097 | |
| 49 | T | A | -0.2252 | |
| 50 | Y | A | -0.1936 | |
| 51 | N | A | -0.6241 | |
| 52 | N | A | -1.1113 | |
| 53 | H | A | -0.3021 | |
| 54 | L | A | 0.4211 | |
| 55 | Y | A | 0.0725 | |
| 56 | K | A | -1.4233 | |
| 57 | R | A | -1.3334 | |
| 58 | L | A | -0.7327 | |
| 59 | G | A | -0.9842 | |
| 60 | E | A | -1.6377 | |
| 61 | S | A | -1.2226 | |
| 62 | L | A | -0.6636 | |
| 63 | Q | A | -1.5899 | |
| 64 | S | A | -1.0970 | |
| 65 | N | A | -1.5792 | |
| 66 | T | A | 0.0000 | |
| 67 | Y | A | -0.2657 | |
| 68 | N | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | F | A | -0.1226 | |
| 71 | S | A | -0.4132 | |
| 72 | T | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | W | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | N | A | 0.0000 | |
| 81 | R | A | -0.6819 | |
| 82 | F | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | H | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | S | A | -1.0953 | |
| 88 | P | A | -1.2828 | |
| 89 | R | A | -2.4173 | |
| 90 | D | A | 0.0000 | |
| 91 | W | A | 0.0000 | |
| 92 | Q | A | -2.0416 | |
| 93 | R | A | -2.3824 | |
| 94 | L | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | N | A | -1.0244 | |
| 97 | N | A | -1.7495 | |
| 98 | N | A | 0.0000 | |
| 99 | W | A | -0.7661 | |
| 100 | G | A | 0.0000 | |
| 101 | M | A | 0.0000 | |
| 102 | R | A | -0.9957 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.6720 | |
| 105 | A | A | -1.1545 | |
| 106 | M | A | 0.0000 | |
| 107 | R | A | -2.1553 | |
| 108 | V | A | 0.0000 | |
| 109 | K | A | -1.6563 | |
| 110 | I | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.1407 | |
| 113 | I | A | 0.0000 | |
| 114 | Q | A | -0.9216 | |
| 115 | V | A | 0.0000 | |
| 116 | K | A | -0.5362 | |
| 117 | E | A | -0.1174 | |
| 118 | V | A | 0.4077 | |
| 119 | T | A | -0.1198 | |
| 120 | T | A | -1.0113 | |
| 121 | S | A | -1.6451 | |
| 122 | N | A | -2.1905 | |
| 123 | G | A | -2.0720 | |
| 124 | E | A | -2.5917 | |
| 125 | T | A | -1.0231 | |
| 126 | T | A | -0.0124 | |
| 127 | V | A | 0.8801 | |
| 128 | A | A | -0.0495 | |
| 129 | N | A | -1.1046 | |
| 130 | N | A | -0.5547 | |
| 131 | L | A | 0.4759 | |
| 132 | T | A | 0.1635 | |
| 133 | S | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -0.5988 | |
| 137 | I | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | A | A | -0.3264 | |
| 140 | D | A | 0.0000 | |
| 141 | S | A | -0.6287 | |
| 142 | S | A | -0.9084 | |
| 143 | Y | A | -1.0884 | |
| 144 | E | A | -1.7105 | |
| 145 | L | A | 0.0000 | |
| 146 | P | A | -0.0941 | |
| 147 | Y | A | -0.0328 | |
| 148 | V | A | 0.1367 | |
| 149 | M | A | 0.0000 | |
| 150 | D | A | -0.5581 | |
| 151 | A | A | -0.7444 | |
| 152 | G | A | -1.4326 | |
| 153 | Q | A | -2.3246 | |
| 154 | E | A | -2.5563 | |
| 155 | G | A | -1.2280 | |
| 156 | S | A | -0.8887 | |
| 157 | L | A | 0.0000 | |
| 158 | P | A | -0.4007 | |
| 159 | P | A | -0.4545 | |
| 160 | F | A | -0.5236 | |
| 161 | P | A | -0.7252 | |
| 162 | N | A | -1.5620 | |
| 163 | D | A | -1.4939 | |
| 164 | V | A | 0.9291 | |
| 165 | F | A | 0.0000 | |
| 166 | M | A | 1.2833 | |
| 167 | V | A | 0.0000 | |
| 168 | P | A | -0.4391 | |
| 169 | Q | A | -0.3902 | |
| 170 | Y | A | 0.0000 | |
| 171 | G | A | -0.2102 | |
| 172 | Y | A | 0.0000 | |
| 173 | C | A | 0.8643 | |
| 174 | G | A | 0.5735 | |
| 175 | L | A | -0.0489 | |
| 176 | V | A | 0.0000 | |
| 177 | T | A | -0.8481 | |
| 178 | G | A | -1.1828 | |
| 179 | N | A | -1.3233 | |
| 180 | T | A | -1.0821 | |
| 181 | S | A | -1.0877 | |
| 182 | Q | A | -1.4159 | |
| 183 | Q | A | -1.6826 | |
| 184 | Q | A | -1.7227 | |
| 185 | T | A | -1.9858 | |
| 186 | D | A | -2.7716 | |
| 187 | R | A | -2.5850 | |
| 188 | N | A | -1.2667 | |
| 189 | A | A | 0.3012 | |
| 190 | F | A | 1.7410 | |
| 191 | Y | A | 1.3131 | |
| 192 | C | A | 1.0254 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.1424 | |
| 195 | Y | A | 1.0629 | |
| 196 | F | A | 0.2109 | |
| 197 | P | A | -0.2530 | |
| 198 | S | A | -0.6127 | |
| 199 | Q | A | -1.2877 | |
| 200 | M | A | -0.5694 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.2006 | |
| 203 | T | A | -0.8826 | |
| 204 | G | A | -0.8730 | |
| 205 | N | A | -1.3680 | |
| 206 | N | A | -1.7685 | |
| 207 | F | A | -1.3914 | |
| 208 | E | A | -2.2610 | |
| 209 | I | A | -1.1619 | |
| 210 | T | A | -1.0492 | |
| 211 | Y | A | -0.5614 | |
| 212 | S | A | -1.1237 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0381 | |
| 215 | K | A | -2.2034 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.5477 | |
| 218 | F | A | -0.1239 | |
| 219 | H | A | -0.1035 | |
| 220 | S | A | -0.1192 | |
| 221 | M | A | 0.0000 | |
| 222 | Y | A | -0.1212 | |
| 223 | A | A | -0.5549 | |
| 224 | H | A | -0.7335 | |
| 225 | S | A | -1.0053 | |
| 226 | Q | A | -1.3512 | |
| 227 | S | A | -1.0577 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -1.7428 | |
| 230 | R | A | -1.6388 | |
| 231 | L | A | -0.6318 | |
| 232 | M | A | -0.4624 | |
| 233 | N | A | -0.3500 | |
| 234 | P | A | 0.1165 | |
| 235 | L | A | 1.5146 | |
| 236 | I | A | 1.4782 | |
| 237 | D | A | 0.1124 | |
| 238 | Q | A | 0.0819 | |
| 239 | Y | A | 1.4003 | |
| 240 | L | A | 0.7768 | |
| 241 | W | A | 1.1432 | |
| 242 | G | A | 0.5211 | |
| 243 | L | A | 0.8135 | |
| 244 | Q | A | -0.5017 | |
| 245 | S | A | -0.3197 | |
| 246 | T | A | -0.2055 | |
| 247 | T | A | -0.5829 | |
| 248 | T | A | -0.4201 | |
| 249 | G | A | -0.6089 | |
| 250 | T | A | -0.2074 | |
| 251 | T | A | 0.1095 | |
| 252 | L | A | 0.9145 | |
| 253 | N | A | -0.6128 | |
| 254 | A | A | -0.4620 | |
| 255 | G | A | -0.6888 | |
| 256 | T | A | -0.5278 | |
| 257 | A | A | -0.5230 | |
| 258 | T | A | -0.0831 | |
| 259 | T | A | 0.0511 | |
| 260 | N | A | 0.2007 | |
| 261 | F | A | 1.6749 | |
| 262 | T | A | 0.4688 | |
| 263 | K | A | -0.1024 | |
| 264 | L | A | 0.0000 | |
| 265 | R | A | -1.3188 | |
| 266 | P | A | -0.5952 | |
| 267 | T | A | -0.7444 | |
| 268 | N | A | -1.2355 | |
| 269 | F | A | -1.4635 | |
| 270 | S | A | -1.4544 | |
| 271 | N | A | -2.0603 | |
| 272 | F | A | 0.0000 | |
| 273 | K | A | -2.5336 | |
| 274 | K | A | -2.4514 | |
| 275 | N | A | -1.6739 | |
| 276 | W | A | -0.1072 | |
| 277 | L | A | 0.5456 | |
| 278 | P | A | 0.5100 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.4249 | |
| 281 | S | A | 0.0000 | |
| 282 | I | A | 0.5305 | |
| 283 | K | A | -0.4806 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -0.8990 | |
| 286 | G | A | -0.9637 | |
| 287 | F | A | -0.4769 | |
| 288 | S | A | -1.1714 | |
| 289 | K | A | -0.9589 | |
| 290 | T | A | -0.9485 | |
| 291 | A | A | -0.9975 | |
| 292 | N | A | -2.0467 | |
| 293 | Q | A | -2.1141 | |
| 294 | N | A | -1.2628 | |
| 295 | Y | A | -0.1206 | |
| 296 | K | A | -1.2794 | |
| 297 | I | A | -0.3059 | |
| 298 | P | A | -0.3688 | |
| 299 | A | A | -0.1667 | |
| 300 | T | A | -0.4552 | |
| 301 | G | A | -0.9845 | |
| 302 | S | A | -1.0812 | |
| 303 | D | A | -1.3708 | |
| 304 | S | A | -0.5230 | |
| 305 | L | A | 0.1806 | |
| 306 | I | A | 0.3136 | |
| 307 | K | A | -0.5419 | |
| 308 | Y | A | 0.0421 | |
| 309 | E | A | -0.2500 | |
| 310 | T | A | -0.1529 | |
| 311 | H | A | -0.0745 | |
| 312 | S | A | 0.1514 | |
| 313 | T | A | 0.1374 | |
| 314 | L | A | 0.4285 | |
| 315 | D | A | -1.3479 | |
| 316 | G | A | -1.0685 | |
| 317 | R | A | -0.8927 | |
| 318 | W | A | -0.2139 | |
| 319 | S | A | -0.0079 | |
| 320 | A | A | 0.0475 | |
| 321 | L | A | 0.1293 | |
| 322 | T | A | 0.0944 | |
| 323 | P | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | P | A | 0.3114 | |
| 326 | P | A | 0.1556 | |
| 327 | M | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | -1.1346 | |
| 331 | G | A | -1.2226 | |
| 332 | P | A | -0.8509 | |
| 333 | A | A | -0.8373 | |
| 334 | D | A | -1.6559 | |
| 335 | S | A | -1.4326 | |
| 336 | K | A | -1.5325 | |
| 337 | F | A | -0.6287 | |
| 338 | S | A | 0.0000 | |
| 339 | N | A | -0.1633 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | I | A | 1.3973 | |
| 344 | F | A | 0.8588 | |
| 345 | A | A | -0.3330 | |
| 346 | G | A | -0.7385 | |
| 347 | P | A | -1.4064 | |
| 348 | K | A | -2.1871 | |
| 349 | Q | A | -1.6887 | |
| 350 | N | A | -2.3317 | |
| 351 | G | A | -1.7549 | |
| 352 | N | A | -1.8341 | |
| 353 | T | A | -0.8705 | |
| 354 | A | A | -0.1025 | |
| 355 | T | A | 0.6951 | |
| 356 | V | A | 1.5418 | |
| 357 | P | A | 0.6713 | |
| 358 | G | A | -0.0956 | |
| 359 | T | A | -0.3486 | |
| 360 | L | A | 0.4994 | |
| 361 | I | A | 0.4340 | |
| 362 | F | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | E | A | 0.0000 | |
| 366 | E | A | -1.9981 | |
| 367 | E | A | -1.2320 | |
| 368 | L | A | 0.0000 | |
| 369 | A | A | -0.6280 | |
| 370 | A | A | -0.7706 | |
| 371 | T | A | 0.0000 | |
| 372 | N | A | 0.0000 | |
| 373 | A | A | -0.1905 | |
| 374 | T | A | -0.7534 | |
| 375 | D | A | 0.0000 | |
| 376 | T | A | -1.1220 | |
| 377 | D | A | -1.9451 | |
| 378 | M | A | -1.1483 | |
| 379 | W | A | -0.5021 | |
| 380 | G | A | -1.1285 | |
| 381 | N | A | -1.7777 | |
| 382 | L | A | -0.7173 | |
| 383 | P | A | -1.1752 | |
| 384 | G | A | -1.3882 | |
| 385 | G | A | -1.7565 | |
| 386 | D | A | -2.8252 | |
| 387 | Q | A | -2.7488 | |
| 388 | S | A | -2.1289 | |
| 389 | N | A | -1.9900 | |
| 390 | S | A | -1.4002 | |
| 391 | N | A | -1.9551 | |
| 392 | L | A | -0.1444 | |
| 393 | P | A | -0.8297 | |
| 394 | T | A | -0.3704 | |
| 395 | V | A | 0.0818 | |
| 396 | D | A | -2.2451 | |
| 397 | R | A | -2.7501 | |
| 398 | L | A | -1.2335 | |
| 399 | T | A | -0.8925 | |
| 400 | A | A | 0.0129 | |
| 401 | L | A | 0.4144 | |
| 402 | G | A | 0.0132 | |
| 403 | A | A | 0.4723 | |
| 404 | V | A | 0.6458 | |
| 405 | P | A | 0.2639 | |
| 406 | G | A | 0.0105 | |
| 407 | M | A | 0.6274 | |
| 408 | V | A | 0.8827 | |
| 409 | W | A | 0.3554 | |
| 410 | Q | A | -0.2392 | |
| 411 | N | A | -0.3304 | |
| 412 | R | A | 0.0000 | |
| 413 | D | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | Y | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | Q | A | 0.0000 | |
| 418 | G | A | 0.0000 | |
| 419 | P | A | -0.4585 | |
| 420 | I | A | 0.0000 | |
| 421 | W | A | 0.0000 | |
| 422 | A | A | -0.4762 | |
| 423 | K | A | -1.1736 | |
| 424 | I | A | 0.0000 | |
| 425 | P | A | -1.4738 | |
| 426 | H | A | -1.9590 | |
| 427 | T | A | -1.7783 | |
| 428 | D | A | -2.4304 | |
| 429 | G | A | -1.4742 | |
| 430 | H | A | -0.7113 | |
| 431 | F | A | 1.1974 | |
| 432 | H | A | 0.1123 | |
| 433 | P | A | -0.2234 | |
| 434 | S | A | 0.0114 | |
| 435 | P | A | 0.2471 | |
| 436 | L | A | 0.9555 | |
| 437 | I | A | 0.8090 | |
| 438 | G | A | 0.0000 | |
| 439 | G | A | -0.0274 | |
| 440 | F | A | 0.0000 | |
| 441 | G | A | -0.7438 | |
| 442 | L | A | 0.0000 | |
| 443 | K | A | -2.2481 | |
| 444 | H | A | -1.8811 | |
| 445 | P | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | P | A | 0.0000 | |
| 448 | Q | A | 0.0000 | |
| 449 | I | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | K | A | 0.0000 | |
| 453 | N | A | 0.0000 | |
| 454 | T | A | 0.0950 | |
| 455 | P | A | -0.0739 | |
| 456 | V | A | 0.3827 | |
| 457 | P | A | 0.0317 | |
| 458 | A | A | -0.3521 | |
| 459 | N | A | -1.2742 | |
| 460 | P | A | -0.5545 | |
| 461 | A | A | 0.1059 | |
| 462 | T | A | 0.1322 | |
| 463 | T | A | 0.7625 | |
| 464 | F | A | 1.7106 | |
| 465 | S | A | 0.7073 | |
| 466 | S | A | 0.2146 | |
| 467 | T | A | 0.0653 | |
| 468 | P | A | -0.0294 | |
| 469 | V | A | 0.5746 | |
| 470 | N | A | -0.7447 | |
| 471 | S | A | -0.5488 | |
| 472 | F | A | 0.0791 | |
| 473 | I | A | 0.5260 | |
| 474 | T | A | 0.1220 | |
| 475 | Q | A | 0.0000 | |
| 476 | Y | A | 0.3103 | |
| 477 | S | A | 0.0000 | |
| 478 | T | A | 0.1353 | |
| 479 | G | A | 0.0000 | |
| 480 | Q | A | -0.3549 | |
| 481 | V | A | 0.0000 | |
| 482 | S | A | -0.9363 | |
| 483 | V | A | 0.0000 | |
| 484 | Q | A | -1.1940 | |
| 485 | I | A | 0.0000 | |
| 486 | D | A | -1.2062 | |
| 487 | W | A | 0.0000 | |
| 488 | E | A | -1.2423 | |
| 489 | I | A | 0.0000 | |
| 490 | Q | A | -1.7045 | |
| 491 | K | A | -2.1815 | |
| 492 | E | A | -2.2233 | |
| 493 | R | A | -2.9221 | |
| 494 | S | A | -2.2653 | |
| 495 | K | A | -2.3365 | |
| 496 | R | A | -1.6535 | |
| 497 | W | A | -0.0483 | |
| 498 | N | A | -0.5456 | |
| 499 | P | A | -0.2869 | |
| 500 | E | A | 0.1225 | |
| 501 | V | A | 1.1968 | |
| 502 | Q | A | -0.0207 | |
| 503 | F | A | 0.0000 | |
| 504 | T | A | -0.6815 | |
| 505 | S | A | -0.8563 | |
| 506 | N | A | -1.4875 | |
| 507 | Y | A | -0.7347 | |
| 508 | G | A | -1.3521 | |
| 509 | Q | A | -1.9926 | |
| 510 | Q | A | -1.6793 | |
| 511 | N | A | -1.6995 | |
| 512 | S | A | -0.5243 | |
| 513 | L | A | 0.8208 | |
| 514 | L | A | 0.6016 | |
| 515 | W | A | 0.2242 | |
| 516 | A | A | 0.1404 | |
| 517 | P | A | -0.7719 | |
| 518 | D | A | -1.1829 | |
| 519 | A | A | -0.5847 | |
| 520 | A | A | -0.8870 | |
| 521 | G | A | -1.4783 | |
| 522 | K | A | -2.2256 | |
| 523 | Y | A | -1.2225 | |
| 524 | T | A | -0.8386 | |
| 525 | E | A | -0.3406 | |
| 526 | P | A | -0.5873 | |
| 527 | R | A | -0.8263 | |
| 528 | A | A | 0.0000 | |
| 529 | I | A | 0.0000 | |
| 530 | G | A | -0.1405 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | 0.0662 | |
| 533 | Y | A | 0.3288 | |
| 534 | L | A | 0.0000 | |
| 535 | T | A | -0.3425 | |
| 536 | H | A | -1.2854 | |
| 537 | H | A | -1.0890 | |
| 538 | L | A | -0.0732 |
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 | -0.1094 | 4.5845 | View | CSV | PDB |
| 4.5 | -0.1446 | 4.5849 | View | CSV | PDB |
| 5.0 | -0.1867 | 4.5863 | View | CSV | PDB |
| 5.5 | -0.2275 | 4.5904 | View | CSV | PDB |
| 6.0 | -0.2591 | 4.6011 | View | CSV | PDB |
| 6.5 | -0.2767 | 4.6238 | View | CSV | PDB |
| 7.0 | -0.2813 | 4.6593 | View | CSV | PDB |
| 7.5 | -0.2782 | 4.7028 | View | CSV | PDB |
| 8.0 | -0.2711 | 4.7496 | View | CSV | PDB |
| 8.5 | -0.2599 | 4.7976 | View | CSV | PDB |
| 9.0 | -0.2432 | 4.8458 | 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