| Chain sequence(s) |
A: MAEFDSKVPVSGMNNHVFEACHHVVKALRASDNNLDANLRKLLSDLEMHLSTFGIADTKVEDAGFSEIKKRFKEAVKRIRSWETNQSTMFEAGLSEADQFFQALYDVQTVLVGFKALPMKTNQMEKDVYNQATVALDIAMLRLEKELCDVLHQHKRHVQPDYLAVSSRRKDIVYDESFVSLDDEVIVEASSHEDDEQISDFYNSDLVDPIVLPHIKAIANAMFACEYDQPFCEAFIGVQREALEEYMVTLEMERFSCVDVLRMDWEDLNGAMRKWTKVVKIITQVYLASEKQLCDQILGDFESISTACFIEISKDAILSLLNFGEAVVLRSCKPEMLERFLSMYEVSAEILVDVDNLFPDETGSSLRIAFHNLSKKLADHTTTTFLKFKDAIASDESTRPFHGGGIHHLTRYVMNYLKLLPEYTDSLNSLLQNIHVDDSIPEKTGEDVLPSTFSPMARHLRSIVTTLESSLERKAQLYADEALKSIFLMNNFRYMVQKVKGSELRRLFGDEWIRKHIASYQCNVTNYERSTWSSILALLRDNNDSVRTLRERCRLFSLAFDDVYKNQTRWSVPDSELRDDLHISTSVKVVQSYRGFLGRNAVRIGEKHIRYTCEDIENMLLDLFECLPSPRSLRSSRKR
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:19:27)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/286e8e8f02bb074/tmp/folded.pdb (00:19:27)
[INFO] Main: Simulation completed successfully. (00:24:48)
|
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 |
|---|---|---|---|---|
| 1 | M | A | 0.8910 | |
| 2 | A | A | -0.0371 | |
| 3 | E | A | -1.1760 | |
| 4 | F | A | 0.0414 | |
| 5 | D | A | -1.7653 | |
| 6 | S | A | -1.1171 | |
| 7 | K | A | -1.0188 | |
| 8 | V | A | 1.0411 | |
| 9 | P | A | 1.0033 | |
| 10 | V | A | 1.5759 | |
| 11 | S | A | 0.2580 | |
| 12 | G | A | 0.0356 | |
| 13 | M | A | 0.7978 | |
| 14 | N | A | -0.7261 | |
| 15 | N | A | -1.1968 | |
| 16 | H | A | -0.9843 | |
| 17 | V | A | 0.5947 | |
| 18 | F | A | 0.8230 | |
| 19 | E | A | -1.0576 | |
| 20 | A | A | -0.3644 | |
| 21 | C | A | 0.3560 | |
| 22 | H | A | -0.8270 | |
| 23 | H | A | -1.0426 | |
| 24 | V | A | -0.0012 | |
| 25 | V | A | -0.4478 | |
| 26 | K | A | -1.9776 | |
| 27 | A | A | -1.1399 | |
| 28 | L | A | -1.2458 | |
| 29 | R | A | -2.4844 | |
| 30 | A | A | -1.7798 | |
| 31 | S | A | -2.2429 | |
| 32 | D | A | -3.1190 | |
| 33 | N | A | -3.1066 | |
| 34 | N | A | -2.6875 | |
| 35 | L | A | -2.5243 | |
| 36 | D | A | -3.0265 | |
| 37 | A | A | -2.2063 | |
| 38 | N | A | -2.3232 | |
| 39 | L | A | -1.6926 | |
| 40 | R | A | -2.8905 | |
| 41 | K | A | -2.9603 | |
| 42 | L | A | -0.6607 | |
| 43 | L | A | -1.2203 | |
| 44 | S | A | -1.9016 | |
| 45 | D | A | -2.0125 | |
| 46 | L | A | -0.8955 | |
| 47 | E | A | -1.3845 | |
| 48 | M | A | -0.3162 | |
| 49 | H | A | -0.2217 | |
| 50 | L | A | 1.0321 | |
| 51 | S | A | 0.6310 | |
| 52 | T | A | 1.3686 | |
| 53 | F | A | 2.1494 | |
| 54 | G | A | 1.2788 | |
| 55 | I | A | 1.8175 | |
| 56 | A | A | 0.4264 | |
| 57 | D | A | -1.3619 | |
| 58 | T | A | -1.3372 | |
| 59 | K | A | -2.1780 | |
| 60 | V | A | -0.4915 | |
| 61 | E | A | -2.0256 | |
| 62 | D | A | -2.2166 | |
| 63 | A | A | -1.0689 | |
| 64 | G | A | -0.6657 | |
| 65 | F | A | 0.2208 | |
| 66 | S | A | -1.3654 | |
| 67 | E | A | -2.4623 | |
| 68 | I | A | -0.7014 | |
| 69 | K | A | -2.1466 | |
| 70 | K | A | -3.6715 | |
| 71 | R | A | -3.4158 | |
| 72 | F | A | 0.0000 | |
| 73 | K | A | -4.1799 | |
| 74 | E | A | -4.2764 | |
| 75 | A | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | K | A | -3.5884 | |
| 78 | R | A | -2.8138 | |
| 79 | I | A | 0.0000 | |
| 80 | R | A | -2.8802 | |
| 81 | S | A | -2.1197 | |
| 82 | W | A | 0.0000 | |
| 83 | E | A | -2.4946 | |
| 84 | T | A | -1.7615 | |
| 85 | N | A | -1.8382 | |
| 86 | Q | A | -1.9372 | |
| 87 | S | A | -1.3121 | |
| 88 | T | A | 0.0000 | |
| 89 | M | A | 0.0000 | |
| 90 | F | A | -0.6960 | |
| 91 | E | A | -1.5524 | |
| 92 | A | A | -0.7108 | |
| 93 | G | A | -0.3893 | |
| 94 | L | A | 0.4051 | |
| 95 | S | A | -0.5340 | |
| 96 | E | A | -1.2255 | |
| 97 | A | A | 0.0000 | |
| 98 | D | A | -2.0736 | |
| 99 | Q | A | -1.7162 | |
| 100 | F | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | Q | A | -1.1280 | |
| 103 | A | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | Y | A | 0.4515 | |
| 106 | D | A | -0.4980 | |
| 107 | V | A | 0.0000 | |
| 108 | Q | A | 0.4376 | |
| 109 | T | A | 0.5505 | |
| 110 | V | A | 0.5880 | |
| 111 | L | A | 0.0000 | |
| 112 | V | A | 1.0086 | |
| 113 | G | A | 0.5396 | |
| 114 | F | A | 0.3590 | |
| 115 | K | A | -0.5696 | |
| 116 | A | A | 0.3451 | |
| 117 | L | A | 0.9959 | |
| 118 | P | A | -0.0615 | |
| 119 | M | A | -0.6326 | |
| 120 | K | A | -1.8412 | |
| 121 | T | A | -1.5114 | |
| 122 | N | A | -1.8775 | |
| 123 | Q | A | -1.9725 | |
| 124 | M | A | -0.7924 | |
| 125 | E | A | -1.5093 | |
| 126 | K | A | -2.2393 | |
| 127 | D | A | -2.5394 | |
| 128 | V | A | -1.2804 | |
| 129 | Y | A | -0.9940 | |
| 130 | N | A | -1.6008 | |
| 131 | Q | A | -1.2376 | |
| 132 | A | A | 0.0000 | |
| 133 | T | A | -0.2982 | |
| 134 | V | A | 0.2799 | |
| 135 | A | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | D | A | -0.0087 | |
| 138 | I | A | -0.1419 | |
| 139 | A | A | 0.0000 | |
| 140 | M | A | 0.0000 | |
| 141 | L | A | 0.5286 | |
| 142 | R | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | E | A | -1.1608 | |
| 145 | K | A | -1.9830 | |
| 146 | E | A | 0.0000 | |
| 147 | L | A | 0.0000 | |
| 148 | C | A | -1.5010 | |
| 149 | D | A | -2.2299 | |
| 150 | V | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | H | A | -2.4076 | |
| 153 | Q | A | -2.5944 | |
| 154 | H | A | -2.3075 | |
| 155 | K | A | -3.6727 | |
| 156 | R | A | -3.9687 | |
| 157 | H | A | -3.0350 | |
| 158 | V | A | -2.1740 | |
| 159 | Q | A | -2.1331 | |
| 160 | P | A | -1.2330 | |
| 161 | D | A | -1.9089 | |
| 162 | Y | A | -0.8428 | |
| 163 | L | A | -0.0584 | |
| 164 | A | A | -1.2563 | |
| 165 | V | A | -1.4957 | |
| 166 | S | A | -2.0294 | |
| 167 | S | A | -2.1023 | |
| 168 | R | A | -3.4305 | |
| 169 | R | A | -2.5316 | |
| 170 | K | A | -2.5685 | |
| 171 | D | A | -1.1987 | |
| 172 | I | A | 0.5565 | |
| 173 | V | A | 0.7812 | |
| 174 | Y | A | 0.3241 | |
| 175 | D | A | -1.4783 | |
| 176 | E | A | -1.6810 | |
| 177 | S | A | -0.1886 | |
| 178 | F | A | 1.9680 | |
| 179 | V | A | 2.4114 | |
| 180 | S | A | 1.0107 | |
| 181 | L | A | 0.5810 | |
| 182 | D | A | -2.0101 | |
| 183 | D | A | -2.3490 | |
| 184 | E | A | -1.3289 | |
| 185 | V | A | 0.8488 | |
| 186 | I | A | 2.0113 | |
| 187 | V | A | 1.6346 | |
| 188 | E | A | -0.2893 | |
| 189 | A | A | -0.6901 | |
| 190 | S | A | -1.3904 | |
| 191 | S | A | -2.0882 | |
| 192 | H | A | -2.8581 | |
| 193 | E | A | -4.1188 | |
| 194 | D | A | -4.5703 | |
| 195 | D | A | -4.4783 | |
| 196 | E | A | -3.8941 | |
| 197 | Q | A | -2.8392 | |
| 198 | I | A | -0.8787 | |
| 199 | S | A | -0.8054 | |
| 200 | D | A | -0.8456 | |
| 201 | F | A | 1.0690 | |
| 202 | Y | A | 0.8380 | |
| 203 | N | A | -0.8850 | |
| 204 | S | A | -1.2784 | |
| 205 | D | A | -2.7183 | |
| 206 | L | A | 0.0000 | |
| 207 | V | A | 0.0000 | |
| 208 | D | A | -1.1404 | |
| 209 | P | A | 0.1279 | |
| 210 | I | A | 1.7836 | |
| 211 | V | A | 0.0000 | |
| 212 | L | A | 0.0985 | |
| 213 | P | A | -0.1909 | |
| 214 | H | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | K | A | -1.4005 | |
| 217 | A | A | -0.8099 | |
| 218 | I | A | 0.0000 | |
| 219 | A | A | 0.0000 | |
| 220 | N | A | -1.0225 | |
| 221 | A | A | 0.0000 | |
| 222 | M | A | 0.0000 | |
| 223 | F | A | -1.0020 | |
| 224 | A | A | -0.5637 | |
| 225 | C | A | 0.0000 | |
| 226 | E | A | -2.0862 | |
| 227 | Y | A | -1.4201 | |
| 228 | D | A | -2.1807 | |
| 229 | Q | A | -2.3090 | |
| 230 | P | A | -1.5130 | |
| 231 | F | A | 0.0000 | |
| 232 | C | A | -1.5601 | |
| 233 | E | A | -2.4774 | |
| 234 | A | A | -1.5152 | |
| 235 | F | A | 0.0000 | |
| 236 | I | A | -1.4174 | |
| 237 | G | A | -1.6112 | |
| 238 | V | A | 0.0000 | |
| 239 | Q | A | 0.0000 | |
| 240 | R | A | -3.3125 | |
| 241 | E | A | -3.4086 | |
| 242 | A | A | -2.9620 | |
| 243 | L | A | 0.0000 | |
| 244 | E | A | -2.8932 | |
| 245 | E | A | -2.7821 | |
| 246 | Y | A | 0.0000 | |
| 247 | M | A | 0.0000 | |
| 248 | V | A | -0.4305 | |
| 249 | T | A | -0.5856 | |
| 250 | L | A | 0.0000 | |
| 251 | E | A | -2.0746 | |
| 252 | M | A | -1.8097 | |
| 253 | E | A | -2.7892 | |
| 254 | R | A | -2.7433 | |
| 255 | F | A | -1.0004 | |
| 256 | S | A | -0.1297 | |
| 257 | C | A | 0.5942 | |
| 258 | V | A | 1.4663 | |
| 259 | D | A | -0.3081 | |
| 260 | V | A | 0.0000 | |
| 261 | L | A | 0.1947 | |
| 262 | R | A | -1.6463 | |
| 263 | M | A | -2.1086 | |
| 264 | D | A | -3.1419 | |
| 265 | W | A | -2.4085 | |
| 266 | E | A | -3.0380 | |
| 267 | D | A | -3.2561 | |
| 268 | L | A | 0.0000 | |
| 269 | N | A | -2.1333 | |
| 270 | G | A | -1.9590 | |
| 271 | A | A | -1.6264 | |
| 272 | M | A | 0.0000 | |
| 273 | R | A | -1.6731 | |
| 274 | K | A | -1.7060 | |
| 275 | W | A | 0.0000 | |
| 276 | T | A | -0.8389 | |
| 277 | K | A | -0.7438 | |
| 278 | V | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | K | A | -0.7675 | |
| 281 | I | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | T | A | 0.0000 | |
| 284 | Q | A | 0.1703 | |
| 285 | V | A | 0.0000 | |
| 286 | Y | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | A | A | -0.5804 | |
| 289 | S | A | 0.0000 | |
| 290 | E | A | 0.0000 | |
| 291 | K | A | -1.2009 | |
| 292 | Q | A | -2.1081 | |
| 293 | L | A | 0.0000 | |
| 294 | C | A | 0.0000 | |
| 295 | D | A | -2.9134 | |
| 296 | Q | A | -2.3253 | |
| 297 | I | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | G | A | -2.6666 | |
| 300 | D | A | -2.7590 | |
| 301 | F | A | -1.6624 | |
| 302 | E | A | -2.4983 | |
| 303 | S | A | -1.2341 | |
| 304 | I | A | -0.7927 | |
| 305 | S | A | 0.0000 | |
| 306 | T | A | -1.2199 | |
| 307 | A | A | -0.5244 | |
| 308 | C | A | 0.0000 | |
| 309 | F | A | 0.0000 | |
| 310 | I | A | 0.0000 | |
| 311 | E | A | -2.4887 | |
| 312 | I | A | 0.0000 | |
| 313 | S | A | 0.0000 | |
| 314 | K | A | -1.9995 | |
| 315 | D | A | -2.4800 | |
| 316 | A | A | -1.7674 | |
| 317 | I | A | 0.0000 | |
| 318 | L | A | -0.4164 | |
| 319 | S | A | -1.4456 | |
| 320 | L | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | N | A | -1.5916 | |
| 323 | F | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | E | A | -1.3992 | |
| 326 | A | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | V | A | -0.0050 | |
| 329 | L | A | 1.2596 | |
| 330 | R | A | -0.0919 | |
| 331 | S | A | -0.3791 | |
| 332 | C | A | -0.9507 | |
| 333 | K | A | -2.2105 | |
| 334 | P | A | -1.4692 | |
| 335 | E | A | -1.1295 | |
| 336 | M | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | E | A | -0.8476 | |
| 339 | R | A | -0.9076 | |
| 340 | F | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | S | A | -0.4421 | |
| 343 | M | A | 0.0000 | |
| 344 | Y | A | -0.7592 | |
| 345 | E | A | -0.7790 | |
| 346 | V | A | -0.5569 | |
| 347 | S | A | 0.0000 | |
| 348 | A | A | -0.7715 | |
| 349 | E | A | -1.4028 | |
| 350 | I | A | 0.0000 | |
| 351 | L | A | -0.0977 | |
| 352 | V | A | 0.6331 | |
| 353 | D | A | -0.5663 | |
| 354 | V | A | 0.0000 | |
| 355 | D | A | -1.1401 | |
| 356 | N | A | -1.6832 | |
| 357 | L | A | 0.0000 | |
| 358 | F | A | 0.0000 | |
| 359 | P | A | -2.2078 | |
| 360 | D | A | -3.1464 | |
| 361 | E | A | -2.8621 | |
| 362 | T | A | -1.6688 | |
| 363 | G | A | 0.0000 | |
| 364 | S | A | -1.0030 | |
| 365 | S | A | 0.0221 | |
| 366 | L | A | 0.0000 | |
| 367 | R | A | -0.3703 | |
| 368 | I | A | 1.3766 | |
| 369 | A | A | 0.1835 | |
| 370 | F | A | 0.0000 | |
| 371 | H | A | -0.5123 | |
| 372 | N | A | -1.1074 | |
| 373 | L | A | 0.0000 | |
| 374 | S | A | 0.0000 | |
| 375 | K | A | -2.7098 | |
| 376 | K | A | -2.2014 | |
| 377 | L | A | 0.0000 | |
| 378 | A | A | -1.6700 | |
| 379 | D | A | -2.3821 | |
| 380 | H | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | T | A | -0.6305 | |
| 383 | T | A | -0.8373 | |
| 384 | T | A | 0.0000 | |
| 385 | F | A | 0.0000 | |
| 386 | L | A | -0.5724 | |
| 387 | K | A | -1.9721 | |
| 388 | F | A | 0.0000 | |
| 389 | K | A | -1.5484 | |
| 390 | D | A | -2.4401 | |
| 391 | A | A | -1.8645 | |
| 392 | I | A | 0.0000 | |
| 393 | A | A | -1.5161 | |
| 394 | S | A | -1.6037 | |
| 395 | D | A | -1.9435 | |
| 396 | E | A | -2.6198 | |
| 397 | S | A | -1.7675 | |
| 398 | T | A | -1.2997 | |
| 399 | R | A | -2.0916 | |
| 400 | P | A | -1.1522 | |
| 401 | F | A | -0.6522 | |
| 402 | H | A | -1.2639 | |
| 403 | G | A | -0.8514 | |
| 404 | G | A | 0.0000 | |
| 405 | G | A | 0.0000 | |
| 406 | I | A | -0.1647 | |
| 407 | H | A | 0.0000 | |
| 408 | H | A | -0.1866 | |
| 409 | L | A | 0.0000 | |
| 410 | T | A | 0.0000 | |
| 411 | R | A | -0.8330 | |
| 412 | Y | A | -0.1684 | |
| 413 | V | A | 0.0000 | |
| 414 | M | A | 0.0000 | |
| 415 | N | A | -0.4659 | |
| 416 | Y | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | K | A | -1.4223 | |
| 419 | L | A | -1.1159 | |
| 420 | L | A | 0.0000 | |
| 421 | P | A | -1.9373 | |
| 422 | E | A | -2.8460 | |
| 423 | Y | A | 0.0000 | |
| 424 | T | A | -1.5194 | |
| 425 | D | A | -2.1978 | |
| 426 | S | A | -1.3250 | |
| 427 | L | A | 0.0000 | |
| 428 | N | A | -1.4333 | |
| 429 | S | A | -1.1820 | |
| 430 | L | A | -0.9886 | |
| 431 | L | A | 0.0000 | |
| 432 | Q | A | -1.9059 | |
| 433 | N | A | -1.8555 | |
| 434 | I | A | -0.8333 | |
| 435 | H | A | -1.6454 | |
| 436 | V | A | -1.3065 | |
| 437 | D | A | -2.1645 | |
| 438 | D | A | -1.7334 | |
| 439 | S | A | -1.0477 | |
| 440 | I | A | -1.1852 | |
| 441 | P | A | -1.6568 | |
| 442 | E | A | -2.7241 | |
| 443 | K | A | -2.9309 | |
| 444 | T | A | -2.3162 | |
| 445 | G | A | -2.3941 | |
| 446 | E | A | -2.8910 | |
| 447 | D | A | -2.4448 | |
| 448 | V | A | -1.4492 | |
| 449 | L | A | -0.0573 | |
| 450 | P | A | -0.1865 | |
| 451 | S | A | -0.1435 | |
| 452 | T | A | 0.0000 | |
| 453 | F | A | 0.1357 | |
| 454 | S | A | -0.3119 | |
| 455 | P | A | -0.9398 | |
| 456 | M | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | R | A | -0.9134 | |
| 459 | H | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | R | A | 0.0000 | |
| 462 | S | A | 0.0000 | |
| 463 | I | A | 0.0000 | |
| 464 | V | A | 0.0000 | |
| 465 | T | A | -0.4982 | |
| 466 | T | A | -0.6799 | |
| 467 | L | A | 0.0000 | |
| 468 | E | A | -0.8586 | |
| 469 | S | A | -1.0822 | |
| 470 | S | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | E | A | -2.3033 | |
| 473 | R | A | -2.2982 | |
| 474 | K | A | 0.0000 | |
| 475 | A | A | 0.0000 | |
| 476 | Q | A | -2.0063 | |
| 477 | L | A | -0.9022 | |
| 478 | Y | A | 0.0000 | |
| 479 | A | A | -0.9067 | |
| 480 | D | A | -1.7714 | |
| 481 | E | A | -2.8395 | |
| 482 | A | A | 0.0000 | |
| 483 | L | A | -1.0356 | |
| 484 | K | A | -1.6440 | |
| 485 | S | A | 0.0000 | |
| 486 | I | A | 0.0000 | |
| 487 | F | A | 0.0000 | |
| 488 | L | A | -0.1390 | |
| 489 | M | A | 0.0000 | |
| 490 | N | A | 0.0000 | |
| 491 | N | A | 0.0000 | |
| 492 | F | A | 0.0000 | |
| 493 | R | A | 0.0000 | |
| 494 | Y | A | -0.4776 | |
| 495 | M | A | 0.0000 | |
| 496 | V | A | 0.0000 | |
| 497 | Q | A | -1.4864 | |
| 498 | K | A | -1.9297 | |
| 499 | V | A | 0.0000 | |
| 500 | K | A | -3.0514 | |
| 501 | G | A | -2.1649 | |
| 502 | S | A | -2.5164 | |
| 503 | E | A | -3.5736 | |
| 504 | L | A | 0.0000 | |
| 505 | R | A | -3.7305 | |
| 506 | R | A | -3.1354 | |
| 507 | L | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | G | A | 0.0000 | |
| 510 | D | A | -2.2472 | |
| 511 | E | A | -1.7719 | |
| 512 | W | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | R | A | -2.7590 | |
| 515 | K | A | -2.6204 | |
| 516 | H | A | -1.3643 | |
| 517 | I | A | -0.9032 | |
| 518 | A | A | -0.8875 | |
| 519 | S | A | -0.6176 | |
| 520 | Y | A | 0.0000 | |
| 521 | Q | A | -0.7705 | |
| 522 | C | A | -0.0333 | |
| 523 | N | A | -0.7604 | |
| 524 | V | A | -0.8932 | |
| 525 | T | A | -1.1943 | |
| 526 | N | A | -2.2707 | |
| 527 | Y | A | 0.0000 | |
| 528 | E | A | -1.5818 | |
| 529 | R | A | -2.6516 | |
| 530 | S | A | -1.9608 | |
| 531 | T | A | 0.0000 | |
| 532 | W | A | 0.0000 | |
| 533 | S | A | -0.7499 | |
| 534 | S | A | -0.3967 | |
| 535 | I | A | 0.0000 | |
| 536 | L | A | -0.4956 | |
| 537 | A | A | -0.6506 | |
| 538 | L | A | -0.8357 | |
| 539 | L | A | 0.0000 | |
| 540 | R | A | -2.8652 | |
| 541 | D | A | -3.5188 | |
| 542 | N | A | -3.0898 | |
| 543 | N | A | -2.5546 | |
| 544 | D | A | -1.8056 | |
| 545 | S | A | -1.4538 | |
| 546 | V | A | -1.0877 | |
| 547 | R | A | -2.5245 | |
| 548 | T | A | -2.1376 | |
| 549 | L | A | 0.0000 | |
| 550 | R | A | -3.1004 | |
| 551 | E | A | -3.3052 | |
| 552 | R | A | -1.9984 | |
| 553 | C | A | 0.0000 | |
| 554 | R | A | -2.4784 | |
| 555 | L | A | -0.7564 | |
| 556 | F | A | 0.0000 | |
| 557 | S | A | 0.0000 | |
| 558 | L | A | -0.0859 | |
| 559 | A | A | -0.4236 | |
| 560 | F | A | 0.0000 | |
| 561 | D | A | -0.9249 | |
| 562 | D | A | -2.0444 | |
| 563 | V | A | -1.0709 | |
| 564 | Y | A | 0.0000 | |
| 565 | K | A | -2.3066 | |
| 566 | N | A | -1.6923 | |
| 567 | Q | A | 0.0000 | |
| 568 | T | A | 0.0000 | |
| 569 | R | A | -1.9193 | |
| 570 | W | A | 0.0000 | |
| 571 | S | A | -0.7560 | |
| 572 | V | A | 0.0000 | |
| 573 | P | A | -0.9610 | |
| 574 | D | A | -1.3500 | |
| 575 | S | A | -2.3021 | |
| 576 | E | A | -3.2612 | |
| 577 | L | A | 0.0000 | |
| 578 | R | A | -2.3047 | |
| 579 | D | A | -2.8537 | |
| 580 | D | A | -2.6140 | |
| 581 | L | A | 0.0000 | |
| 582 | H | A | -0.3170 | |
| 583 | I | A | 1.1501 | |
| 584 | S | A | 0.3577 | |
| 585 | T | A | 0.0000 | |
| 586 | S | A | 0.4404 | |
| 587 | V | A | 1.2286 | |
| 588 | K | A | -0.3883 | |
| 589 | V | A | 0.0000 | |
| 590 | V | A | 0.0000 | |
| 591 | Q | A | -1.7402 | |
| 592 | S | A | -1.5346 | |
| 593 | Y | A | 0.0000 | |
| 594 | R | A | -2.8961 | |
| 595 | G | A | -2.3849 | |
| 596 | F | A | 0.0000 | |
| 597 | L | A | -1.2416 | |
| 598 | G | A | -1.6000 | |
| 599 | R | A | -2.3158 | |
| 600 | N | A | 0.0000 | |
| 601 | A | A | -0.8576 | |
| 602 | V | A | 0.7278 | |
| 603 | R | A | -0.6596 | |
| 604 | I | A | 0.0000 | |
| 605 | G | A | -1.2817 | |
| 606 | E | A | -2.5486 | |
| 607 | K | A | -3.1000 | |
| 608 | H | A | -2.8521 | |
| 609 | I | A | -1.9892 | |
| 610 | R | A | -1.9472 | |
| 611 | Y | A | 0.0000 | |
| 612 | T | A | -1.3862 | |
| 613 | C | A | 0.0000 | |
| 614 | E | A | -2.9098 | |
| 615 | D | A | -2.0102 | |
| 616 | I | A | 0.0000 | |
| 617 | E | A | -1.7787 | |
| 618 | N | A | -2.0094 | |
| 619 | M | A | -1.1036 | |
| 620 | L | A | 0.0000 | |
| 621 | L | A | 0.2657 | |
| 622 | D | A | -0.6035 | |
| 623 | L | A | 0.0000 | |
| 624 | F | A | 0.0000 | |
| 625 | E | A | -1.2231 | |
| 626 | C | A | -0.8464 | |
| 627 | L | A | -0.8380 | |
| 628 | P | A | -0.7409 | |
| 629 | S | A | -1.0736 | |
| 630 | P | A | -1.6504 | |
| 631 | R | A | -2.2894 | |
| 632 | S | A | -1.6152 | |
| 633 | L | A | -1.2672 | |
| 634 | R | A | -2.5533 | |
| 635 | S | A | -2.1141 | |
| 636 | S | A | -2.1484 | |
| 637 | R | A | -3.2959 | |
| 638 | K | A | -3.5301 | |
| 639 | R | A | -3.1065 |
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 | -0.8207 | 5.1843 | View | CSV | PDB |
| 4.5 | -0.9339 | 5.1029 | View | CSV | PDB |
| 5.0 | -1.0721 | 5.0106 | View | CSV | PDB |
| 5.5 | -1.2125 | 4.9218 | View | CSV | PDB |
| 6.0 | -1.3345 | 4.8343 | View | CSV | PDB |
| 6.5 | -1.4242 | 4.7416 | View | CSV | PDB |
| 7.0 | -1.4793 | 4.649 | View | CSV | PDB |
| 7.5 | -1.5093 | 4.5636 | View | CSV | PDB |
| 8.0 | -1.524 | 4.4863 | View | CSV | PDB |
| 8.5 | -1.525 | 4.4199 | View | CSV | PDB |
| 9.0 | -1.5087 | 4.3714 | 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