| Chain sequence(s) |
A: NAVPRPKLVVGLVVDQMRWDYLYRYYSKYGEGGFKRMLNTGYSLNNVHIDYVPTVAIGHTSIFTGSVPSIHGIAGNDWYDKELGKSVYCTSDETVQPVGTTSNSVGQHSPRNLWSTTVTDQLGLATNFTSKVVGVSLKDRASILPAGHNPTGAFWFDDTTGKFITSTYYTKELPKWVNDFNNKNVPAQLVANGWNTLLPINQYTESSEDNVEWEGLLGSKKTPTFPYTDLAKDYEAKKGLIRTTPFGNTLTLQMADAAIDGNQMGVDDITDFLTVNLASTDYVGHNFGPNSIEVEDTYLRLDRDLADFFNNLDKKVGKGNYLVFLSADHGAAHSVGFMQAHKMPTGFFDMKKEMNAKLKQKFGADNIIAAAMNYQVYFDRKVLADSKLELDDVRDYVMTELKKEPSVLYVLSTDEIWESSIPEPIKSRVINGYNWKRSGDIQIISKDGYLSAYSKKGTTHSVWNSYDSHIPLLFMGWGIKQGESNQPYHMTDIAPTVSSLLKIQFPSGAVGKPITEVIG
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] (00:00:01)
[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 (00:11:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9cdc4e0cbf29a53/tmp/folded.pdb (00:11:39)
[INFO] Main: Simulation completed successfully. (00:19:34)
|
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 |
|---|---|---|---|---|
| 24 | N | A | -1.0079 | |
| 25 | A | A | -0.2762 | |
| 26 | V | A | 0.4237 | |
| 27 | P | A | -0.4800 | |
| 28 | R | A | -0.6891 | |
| 29 | P | A | 0.0000 | |
| 30 | K | A | -0.8632 | |
| 31 | L | A | 0.0000 | |
| 32 | V | A | 0.0000 | |
| 33 | V | A | 0.0000 | |
| 34 | G | A | 0.0000 | |
| 35 | L | A | 0.0000 | |
| 36 | V | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | D | A | 0.0000 | |
| 39 | Q | A | 0.0000 | |
| 40 | M | A | 0.0000 | |
| 41 | R | A | 0.0000 | |
| 42 | W | A | 0.1755 | |
| 43 | D | A | 0.1341 | |
| 44 | Y | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | Y | A | 0.7663 | |
| 47 | R | A | -0.0169 | |
| 48 | Y | A | 0.0000 | |
| 49 | Y | A | 0.4320 | |
| 50 | S | A | -0.0342 | |
| 51 | K | A | -0.4888 | |
| 52 | Y | A | 0.0000 | |
| 53 | G | A | -1.3354 | |
| 54 | E | A | -2.3712 | |
| 55 | G | A | -1.9130 | |
| 56 | G | A | 0.0000 | |
| 57 | F | A | 0.0000 | |
| 58 | K | A | -1.2375 | |
| 59 | R | A | -1.3734 | |
| 60 | M | A | 0.0000 | |
| 61 | L | A | -1.3890 | |
| 62 | N | A | -2.1241 | |
| 63 | T | A | -1.4691 | |
| 64 | G | A | 0.0000 | |
| 65 | Y | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | N | A | -1.5655 | |
| 69 | N | A | -1.7029 | |
| 70 | V | A | 0.0000 | |
| 71 | H | A | -0.5320 | |
| 72 | I | A | 0.0000 | |
| 73 | D | A | 0.0000 | |
| 74 | Y | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | T | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 80 | A | A | 0.0000 | |
| 81 | I | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | T | A | 0.0000 | |
| 85 | S | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | T | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | S | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | P | A | 0.0000 | |
| 93 | S | A | 0.5223 | |
| 94 | I | A | 1.3753 | |
| 95 | H | A | 0.0000 | |
| 96 | G | A | 0.0000 | |
| 97 | I | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | N | A | -0.7210 | |
| 101 | D | A | -0.9560 | |
| 102 | W | A | 0.0000 | |
| 103 | Y | A | -0.9883 | |
| 104 | D | A | 0.0000 | |
| 105 | K | A | -2.1133 | |
| 106 | E | A | -2.0341 | |
| 107 | L | A | -0.3096 | |
| 108 | G | A | -1.6943 | |
| 109 | K | A | -1.8769 | |
| 110 | S | A | -0.9680 | |
| 111 | V | A | -0.4235 | |
| 112 | Y | A | -0.3732 | |
| 113 | C | A | 0.0000 | |
| 114 | T | A | 0.0000 | |
| 115 | S | A | -1.0408 | |
| 116 | D | A | 0.0000 | |
| 117 | E | A | -2.3635 | |
| 118 | T | A | -1.2107 | |
| 119 | V | A | 0.0000 | |
| 120 | Q | A | -2.0769 | |
| 121 | P | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | G | A | -1.1683 | |
| 124 | T | A | -0.5234 | |
| 125 | T | A | -0.6152 | |
| 126 | S | A | -0.8907 | |
| 127 | N | A | -1.7808 | |
| 128 | S | A | -1.0710 | |
| 129 | V | A | -0.5911 | |
| 130 | G | A | 0.0000 | |
| 131 | Q | A | -1.5192 | |
| 132 | H | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | R | A | -1.7969 | |
| 136 | N | A | -0.8400 | |
| 137 | L | A | 0.0000 | |
| 138 | W | A | 0.5967 | |
| 139 | S | A | 0.0000 | |
| 140 | T | A | 0.0285 | |
| 141 | T | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | T | A | 0.0000 | |
| 144 | D | A | 0.0000 | |
| 145 | Q | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | G | A | 0.0000 | |
| 148 | L | A | 1.3095 | |
| 149 | A | A | 0.3062 | |
| 150 | T | A | 0.6568 | |
| 151 | N | A | 0.1177 | |
| 152 | F | A | 1.4100 | |
| 153 | T | A | 0.7851 | |
| 154 | S | A | 0.0000 | |
| 155 | K | A | -0.3526 | |
| 156 | V | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | K | A | 0.0000 | |
| 163 | D | A | -0.3855 | |
| 164 | R | A | -0.4820 | |
| 165 | A | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | P | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | H | A | -1.0283 | |
| 173 | N | A | -0.8958 | |
| 174 | P | A | -0.5506 | |
| 175 | T | A | -0.3102 | |
| 176 | G | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | W | A | 0.0000 | |
| 180 | F | A | 0.0000 | |
| 181 | D | A | 0.0000 | |
| 182 | D | A | -1.2600 | |
| 183 | T | A | -0.9026 | |
| 184 | T | A | -1.1111 | |
| 185 | G | A | -1.4302 | |
| 186 | K | A | -1.5167 | |
| 187 | F | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | T | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | T | A | -1.1245 | |
| 192 | Y | A | -0.4855 | |
| 193 | Y | A | -0.5066 | |
| 194 | T | A | -1.2374 | |
| 195 | K | A | -2.6596 | |
| 196 | E | A | -2.9356 | |
| 197 | L | A | -1.8071 | |
| 198 | P | A | -2.0421 | |
| 199 | K | A | -2.8108 | |
| 200 | W | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | N | A | -3.3664 | |
| 203 | D | A | -3.7408 | |
| 204 | F | A | 0.0000 | |
| 205 | N | A | -2.8692 | |
| 206 | N | A | -3.4314 | |
| 207 | K | A | -3.5691 | |
| 208 | N | A | -2.7623 | |
| 209 | V | A | -1.5970 | |
| 210 | P | A | 0.0000 | |
| 211 | A | A | -1.6009 | |
| 212 | Q | A | -1.6081 | |
| 213 | L | A | -0.5435 | |
| 214 | V | A | 0.0000 | |
| 215 | A | A | -1.2314 | |
| 216 | N | A | -1.7104 | |
| 217 | G | A | 0.0000 | |
| 218 | W | A | 0.0000 | |
| 219 | N | A | -1.1742 | |
| 220 | T | A | 0.0000 | |
| 221 | L | A | 0.6264 | |
| 222 | L | A | 0.1508 | |
| 223 | P | A | -0.4137 | |
| 224 | I | A | -0.6464 | |
| 225 | N | A | -1.7231 | |
| 226 | Q | A | -1.4238 | |
| 227 | Y | A | 0.0000 | |
| 228 | T | A | -1.0785 | |
| 229 | E | A | -1.0728 | |
| 230 | S | A | -1.0926 | |
| 231 | S | A | -1.4716 | |
| 232 | E | A | -2.7891 | |
| 233 | D | A | -2.5465 | |
| 234 | N | A | -2.5973 | |
| 235 | V | A | 0.0000 | |
| 236 | E | A | -2.3428 | |
| 237 | W | A | 0.0000 | |
| 238 | E | A | 0.0000 | |
| 239 | G | A | -0.8791 | |
| 240 | L | A | -0.1003 | |
| 241 | L | A | 0.0000 | |
| 242 | G | A | -1.4277 | |
| 243 | S | A | -1.4413 | |
| 244 | K | A | -1.5582 | |
| 245 | K | A | -1.8443 | |
| 246 | T | A | -1.3698 | |
| 247 | P | A | 0.0000 | |
| 248 | T | A | -1.1867 | |
| 249 | F | A | -0.5582 | |
| 250 | P | A | -0.6599 | |
| 251 | Y | A | 0.0000 | |
| 252 | T | A | -1.4462 | |
| 253 | D | A | -2.1026 | |
| 254 | L | A | 0.0000 | |
| 255 | A | A | -2.3163 | |
| 256 | K | A | -3.1311 | |
| 257 | D | A | -2.7273 | |
| 258 | Y | A | 0.0000 | |
| 259 | E | A | -3.1150 | |
| 260 | A | A | -2.3112 | |
| 261 | K | A | -2.9575 | |
| 262 | K | A | -2.3598 | |
| 263 | G | A | -1.3764 | |
| 264 | L | A | -1.0534 | |
| 265 | I | A | 0.0000 | |
| 266 | R | A | -0.2386 | |
| 267 | T | A | -0.1235 | |
| 268 | T | A | 0.0000 | |
| 269 | P | A | 0.0000 | |
| 270 | F | A | 0.0760 | |
| 271 | G | A | 0.0000 | |
| 272 | N | A | 0.0000 | |
| 273 | T | A | -0.4429 | |
| 274 | L | A | 0.0000 | |
| 275 | T | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | Q | A | -1.0802 | |
| 278 | M | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | D | A | -1.2504 | |
| 281 | A | A | -1.3567 | |
| 282 | A | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | D | A | -2.4801 | |
| 285 | G | A | -1.9791 | |
| 286 | N | A | -1.3245 | |
| 287 | Q | A | -2.0453 | |
| 288 | M | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | V | A | -0.2938 | |
| 291 | D | A | -1.6598 | |
| 292 | D | A | -1.8941 | |
| 293 | I | A | -0.0830 | |
| 294 | T | A | 0.0000 | |
| 295 | D | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | T | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | N | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | S | A | 0.0000 | |
| 304 | T | A | 0.0000 | |
| 305 | D | A | 0.0000 | |
| 306 | Y | A | -0.0272 | |
| 307 | V | A | 0.0000 | |
| 308 | G | A | 0.0000 | |
| 309 | H | A | -0.6119 | |
| 310 | N | A | -0.7608 | |
| 311 | F | A | 0.0000 | |
| 312 | G | A | 0.0000 | |
| 313 | P | A | 0.0000 | |
| 314 | N | A | -0.5797 | |
| 315 | S | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | E | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | E | A | 0.0000 | |
| 320 | D | A | 0.0000 | |
| 321 | T | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | R | A | -0.3712 | |
| 325 | L | A | 0.0000 | |
| 326 | D | A | 0.0000 | |
| 327 | R | A | -1.6315 | |
| 328 | D | A | -1.4926 | |
| 329 | L | A | 0.0000 | |
| 330 | A | A | -1.9005 | |
| 331 | D | A | -2.4964 | |
| 332 | F | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | N | A | -2.4831 | |
| 335 | N | A | -2.2191 | |
| 336 | L | A | 0.0000 | |
| 337 | D | A | -2.9225 | |
| 338 | K | A | -3.2269 | |
| 339 | K | A | -3.1158 | |
| 340 | V | A | 0.0000 | |
| 341 | G | A | -2.2157 | |
| 342 | K | A | -2.7782 | |
| 343 | G | A | -1.4964 | |
| 344 | N | A | -1.4667 | |
| 345 | Y | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | S | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | D | A | 0.0000 | |
| 353 | H | A | 0.0000 | |
| 354 | G | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | H | A | -0.0064 | |
| 358 | S | A | 0.0000 | |
| 359 | V | A | -0.4791 | |
| 360 | G | A | -1.3725 | |
| 361 | F | A | -0.8802 | |
| 362 | M | A | -1.0062 | |
| 363 | Q | A | -1.8613 | |
| 364 | A | A | -1.2338 | |
| 365 | H | A | -1.7674 | |
| 366 | K | A | -2.2955 | |
| 367 | M | A | -1.1843 | |
| 368 | P | A | -1.1081 | |
| 369 | T | A | -0.6916 | |
| 370 | G | A | -0.2571 | |
| 371 | F | A | 0.5978 | |
| 372 | F | A | 0.5963 | |
| 375 | D | A | -2.6655 | |
| 376 | M | A | -2.0947 | |
| 377 | K | A | -2.5965 | |
| 378 | K | A | -3.5922 | |
| 379 | E | A | -3.5885 | |
| 380 | M | A | 0.0000 | |
| 381 | N | A | 0.0000 | |
| 382 | A | A | -2.9608 | |
| 383 | K | A | -2.9740 | |
| 384 | L | A | 0.0000 | |
| 385 | K | A | -3.7026 | |
| 386 | Q | A | -3.2192 | |
| 387 | K | A | -2.8430 | |
| 388 | F | A | -2.1749 | |
| 389 | G | A | -2.1290 | |
| 390 | A | A | -2.5087 | |
| 391 | D | A | -2.8889 | |
| 392 | N | A | -2.3923 | |
| 393 | I | A | 0.0000 | |
| 394 | I | A | 0.0000 | |
| 395 | A | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | A | A | -0.4665 | |
| 398 | M | A | -0.0775 | |
| 399 | N | A | -0.2406 | |
| 400 | Y | A | 0.1976 | |
| 401 | Q | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | Y | A | 0.0000 | |
| 404 | F | A | 0.0000 | |
| 405 | D | A | -1.5046 | |
| 406 | R | A | -2.2640 | |
| 407 | K | A | -2.8048 | |
| 408 | V | A | -2.1334 | |
| 409 | L | A | 0.0000 | |
| 410 | A | A | -2.3085 | |
| 411 | D | A | -2.7229 | |
| 412 | S | A | -2.3695 | |
| 413 | K | A | -2.6152 | |
| 414 | L | A | -2.3195 | |
| 415 | E | A | -3.3743 | |
| 416 | L | A | -2.5706 | |
| 417 | D | A | -3.5781 | |
| 418 | D | A | -3.6542 | |
| 419 | V | A | 0.0000 | |
| 420 | R | A | 0.0000 | |
| 421 | D | A | -3.0124 | |
| 422 | Y | A | -1.7865 | |
| 423 | V | A | 0.0000 | |
| 424 | M | A | -1.1851 | |
| 425 | T | A | -1.6211 | |
| 426 | E | A | -2.0465 | |
| 427 | L | A | 0.0000 | |
| 428 | K | A | -2.7085 | |
| 429 | K | A | -3.0071 | |
| 430 | E | A | -2.0796 | |
| 431 | P | A | -1.1134 | |
| 432 | S | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | L | A | -0.1730 | |
| 435 | Y | A | 0.2265 | |
| 436 | V | A | 0.0555 | |
| 437 | L | A | 0.0000 | |
| 438 | S | A | 0.0000 | |
| 439 | T | A | 0.0000 | |
| 440 | D | A | -2.5762 | |
| 441 | E | A | -2.8621 | |
| 442 | I | A | 0.0000 | |
| 443 | W | A | -0.6108 | |
| 444 | E | A | -2.0885 | |
| 445 | S | A | -1.1542 | |
| 446 | S | A | -0.7393 | |
| 447 | I | A | 0.0000 | |
| 448 | P | A | -1.2870 | |
| 449 | E | A | -2.1187 | |
| 450 | P | A | -1.3505 | |
| 451 | I | A | 0.0000 | |
| 452 | K | A | -0.9352 | |
| 453 | S | A | -0.4552 | |
| 454 | R | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | I | A | 0.0830 | |
| 457 | N | A | 0.0752 | |
| 458 | G | A | 0.0000 | |
| 459 | Y | A | 0.0000 | |
| 460 | N | A | 0.0000 | |
| 461 | W | A | 0.4109 | |
| 462 | K | A | -1.1536 | |
| 463 | R | A | 0.0000 | |
| 464 | S | A | 0.0000 | |
| 465 | G | A | 0.0000 | |
| 466 | D | A | 0.0000 | |
| 467 | I | A | 0.0000 | |
| 468 | Q | A | 0.0000 | |
| 469 | I | A | 0.0000 | |
| 470 | I | A | 0.0000 | |
| 471 | S | A | 0.0000 | |
| 472 | K | A | -1.0195 | |
| 473 | D | A | -1.5643 | |
| 474 | G | A | 0.0000 | |
| 475 | Y | A | -0.1891 | |
| 476 | L | A | 0.0000 | |
| 477 | S | A | 0.2807 | |
| 478 | A | A | 0.0026 | |
| 479 | Y | A | 0.5694 | |
| 480 | S | A | -0.7523 | |
| 481 | K | A | -1.8933 | |
| 482 | K | A | -1.9763 | |
| 483 | G | A | 0.0000 | |
| 484 | T | A | 0.0000 | |
| 485 | T | A | -0.3238 | |
| 486 | H | A | 0.0000 | |
| 487 | S | A | -0.0341 | |
| 488 | V | A | 0.0000 | |
| 489 | W | A | -0.0011 | |
| 490 | N | A | 0.0000 | |
| 491 | S | A | -0.1347 | |
| 492 | Y | A | -0.0320 | |
| 493 | D | A | 0.0000 | |
| 494 | S | A | 0.0000 | |
| 495 | H | A | 0.0000 | |
| 496 | I | A | 0.0000 | |
| 497 | P | A | 0.0000 | |
| 498 | L | A | 0.0000 | |
| 499 | L | A | 0.0000 | |
| 500 | F | A | 0.0000 | |
| 501 | M | A | 0.0000 | |
| 502 | G | A | -1.0081 | |
| 503 | W | A | -0.7567 | |
| 504 | G | A | -0.5170 | |
| 505 | I | A | -0.9714 | |
| 506 | K | A | -2.4317 | |
| 507 | Q | A | -2.6945 | |
| 508 | G | A | -2.1862 | |
| 509 | E | A | -2.9857 | |
| 510 | S | A | -2.1898 | |
| 511 | N | A | -2.5456 | |
| 512 | Q | A | -2.3474 | |
| 513 | P | A | -1.4758 | |
| 514 | Y | A | -1.2299 | |
| 515 | H | A | -1.0918 | |
| 516 | M | A | 0.0000 | |
| 517 | T | A | 0.0000 | |
| 518 | D | A | 0.0000 | |
| 519 | I | A | 0.0000 | |
| 520 | A | A | 0.0000 | |
| 521 | P | A | 0.0000 | |
| 522 | T | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | S | A | 0.0000 | |
| 525 | S | A | -0.8354 | |
| 526 | L | A | 0.0000 | |
| 527 | L | A | 0.0000 | |
| 528 | K | A | -1.7568 | |
| 529 | I | A | 0.0000 | |
| 530 | Q | A | -1.0355 | |
| 531 | F | A | -0.2225 | |
| 532 | P | A | 0.0000 | |
| 533 | S | A | 0.1000 | |
| 534 | G | A | 0.5442 | |
| 535 | A | A | 0.3477 | |
| 536 | V | A | 0.5206 | |
| 537 | G | A | -0.5908 | |
| 538 | K | A | -1.6017 | |
| 539 | P | A | -0.7892 | |
| 540 | I | A | 0.0000 | |
| 541 | T | A | -0.3819 | |
| 542 | E | A | -0.9047 | |
| 543 | V | A | 0.0000 | |
| 544 | I | A | 0.0522 | |
| 545 | G | A | -0.8902 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.5247 | 4.0973 | View | CSV | PDB |
| 4.5 | -0.5759 | 4.098 | View | CSV | PDB |
| 5.0 | -0.6372 | 4.1 | View | CSV | PDB |
| 5.5 | -0.6959 | 4.1055 | View | CSV | PDB |
| 6.0 | -0.7379 | 4.1179 | View | CSV | PDB |
| 6.5 | -0.7518 | 4.1389 | View | CSV | PDB |
| 7.0 | -0.7384 | 4.166 | View | CSV | PDB |
| 7.5 | -0.708 | 4.1959 | View | CSV | PDB |
| 8.0 | -0.6689 | 4.2269 | View | CSV | PDB |
| 8.5 | -0.6232 | 4.258 | View | CSV | PDB |
| 9.0 | -0.5696 | 4.2889 | 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