| Chain sequence(s) |
A: AAAMLATSPPKPAVELDRHIDLDQAHAVASGGARIVLAPPARDRIRASEARLGAVIREARHVYGLTTGFGPLANRLISGENVRTLQANLVHHLASGVGPVLDWTTARAMVLARLVSIAQGASGASEGTVARLIDLLNSELAPAVPSRGTVGDLTPLAHMVLCLQGRGDFLDRDGTRLDAAEGLRRGRLQPLVLSHRDALALVNGTSAMTGIALVNAHACRHLGNWAVALTALLAECLRGRTEAWDATFSDLRPHPGQKDAAARLRARVDGSARVVRHVIAERRLDAGDIGTEPEAGQDAYSLRCAPQVLGAGFDTLAWHDRVLTIELNAVTDNPVFPPDGSVPALHGGNFMGQHVALTSDALATAVTVLAGLAERQIARLTDERLNRGLPPFLHRGPAGLNSGFMGAQVTATALLAEMRATGPASIHSISTNAANQDVVSLGTIAARLCREKIDRWAEILAILALCLAQAAELRCGSGLDGLSPAGKKLVQALREQFPPLETDRPLGQEIAALATHLLQQSPV
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 (00:07:50)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6f982585e829474/tmp/folded.pdb (00:07:50)
[INFO] Main: Simulation completed successfully. (00:11:36)
|
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 | 1.8088 | |
| 2 | L | A | 2.0360 | |
| 3 | A | A | 0.9885 | |
| 4 | T | A | 0.3354 | |
| 5 | S | A | -0.3345 | |
| 6 | P | A | -0.7462 | |
| 7 | P | A | -1.0436 | |
| 8 | K | A | -1.5391 | |
| 9 | P | A | -1.1545 | |
| 10 | A | A | -1.0189 | |
| 11 | V | A | -1.0739 | |
| 12 | E | A | -2.1718 | |
| 13 | L | A | 0.0000 | |
| 14 | D | A | -2.3366 | |
| 15 | R | A | -2.6611 | |
| 16 | H | A | -2.1626 | |
| 17 | I | A | 0.0000 | |
| 18 | D | A | -1.5087 | |
| 19 | L | A | -1.6065 | |
| 20 | D | A | -2.2645 | |
| 21 | Q | A | -2.0419 | |
| 22 | A | A | 0.0000 | |
| 23 | H | A | 0.0000 | |
| 24 | A | A | -1.1282 | |
| 25 | V | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | S | A | -0.8224 | |
| 28 | G | A | -1.4618 | |
| 29 | G | A | -1.1382 | |
| 30 | A | A | 0.0000 | |
| 31 | R | A | -1.5543 | |
| 32 | I | A | 0.0000 | |
| 33 | V | A | -0.4750 | |
| 34 | L | A | 0.0000 | |
| 35 | A | A | 0.0000 | |
| 36 | P | A | -1.5558 | |
| 37 | P | A | -2.0514 | |
| 38 | A | A | 0.0000 | |
| 39 | R | A | -3.3330 | |
| 40 | D | A | -3.6434 | |
| 41 | R | A | -3.1839 | |
| 42 | I | A | 0.0000 | |
| 43 | R | A | -3.7180 | |
| 44 | A | A | -2.1946 | |
| 45 | S | A | 0.0000 | |
| 46 | E | A | -2.0985 | |
| 47 | A | A | -0.9562 | |
| 48 | R | A | -0.9750 | |
| 49 | L | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | A | A | -1.3017 | |
| 52 | V | A | 0.0000 | |
| 53 | I | A | -1.4714 | |
| 54 | R | A | -2.6991 | |
| 55 | E | A | -3.0529 | |
| 56 | A | A | -2.1851 | |
| 57 | R | A | -2.5950 | |
| 58 | H | A | -1.5314 | |
| 59 | V | A | 0.0000 | |
| 60 | Y | A | 0.0478 | |
| 61 | G | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | T | A | -0.5700 | |
| 64 | T | A | 0.0000 | |
| 65 | G | A | 0.0000 | |
| 66 | F | A | -0.0333 | |
| 67 | G | A | -0.3261 | |
| 68 | P | A | -0.6782 | |
| 69 | L | A | -0.0429 | |
| 70 | A | A | -0.3398 | |
| 71 | N | A | -1.3757 | |
| 72 | R | A | -1.3313 | |
| 73 | L | A | 0.3958 | |
| 74 | I | A | -0.2035 | |
| 75 | S | A | -0.8063 | |
| 76 | G | A | -1.7031 | |
| 77 | E | A | -2.6434 | |
| 78 | N | A | -2.1077 | |
| 79 | V | A | -1.9365 | |
| 80 | R | A | -2.6174 | |
| 81 | T | A | -1.6126 | |
| 82 | L | A | 0.0000 | |
| 83 | Q | A | 0.0000 | |
| 84 | A | A | -1.1524 | |
| 85 | N | A | -1.7059 | |
| 86 | L | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | H | A | -1.4058 | |
| 89 | H | A | -1.4628 | |
| 90 | L | A | -0.6787 | |
| 91 | A | A | -0.4209 | |
| 92 | S | A | -0.4028 | |
| 93 | G | A | -0.0295 | |
| 94 | V | A | 0.7638 | |
| 95 | G | A | -0.1265 | |
| 96 | P | A | -0.1773 | |
| 97 | V | A | 0.0605 | |
| 98 | L | A | 0.0000 | |
| 99 | D | A | -1.4075 | |
| 100 | W | A | -1.4568 | |
| 101 | T | A | -0.6511 | |
| 102 | T | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | R | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | M | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | R | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | S | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | Q | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | S | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | S | A | -1.3055 | |
| 123 | E | A | -2.5088 | |
| 124 | G | A | -0.8525 | |
| 125 | T | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | A | A | -0.9924 | |
| 128 | R | A | -1.0304 | |
| 129 | L | A | 0.0000 | |
| 130 | I | A | -0.5820 | |
| 131 | D | A | -2.1217 | |
| 132 | L | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | N | A | -1.5511 | |
| 135 | S | A | -2.1686 | |
| 136 | E | A | -2.8078 | |
| 137 | L | A | 0.0000 | |
| 138 | A | A | 0.0000 | |
| 139 | P | A | 0.0000 | |
| 140 | A | A | -1.0179 | |
| 141 | V | A | 0.0000 | |
| 142 | P | A | -0.0991 | |
| 143 | S | A | -0.6377 | |
| 144 | R | A | -1.3851 | |
| 145 | G | A | -0.7670 | |
| 146 | T | A | 0.0000 | |
| 147 | V | A | 0.6676 | |
| 148 | G | A | 0.3103 | |
| 152 | D | A | 0.0000 | |
| 153 | L | A | 0.4606 | |
| 154 | T | A | 0.0000 | |
| 155 | P | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | H | A | -0.5396 | |
| 159 | M | A | 0.0000 | |
| 160 | V | A | 0.0000 | |
| 161 | L | A | -0.9560 | |
| 162 | C | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | Q | A | -0.6575 | |
| 165 | G | A | -2.0092 | |
| 166 | R | A | -2.5065 | |
| 167 | G | A | -2.0123 | |
| 168 | D | A | -2.8414 | |
| 169 | F | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | D | A | -2.8301 | |
| 172 | R | A | -3.6855 | |
| 173 | D | A | -3.3704 | |
| 174 | G | A | -2.3200 | |
| 175 | T | A | -2.1357 | |
| 176 | R | A | -3.0836 | |
| 177 | L | A | 0.0000 | |
| 178 | D | A | -3.2858 | |
| 179 | A | A | 0.0000 | |
| 180 | A | A | -1.8814 | |
| 181 | E | A | -2.5021 | |
| 182 | G | A | 0.0000 | |
| 183 | L | A | -2.5921 | |
| 184 | R | A | -3.6500 | |
| 185 | R | A | -3.2835 | |
| 186 | G | A | -3.0672 | |
| 187 | R | A | -3.4992 | |
| 188 | L | A | 0.0000 | |
| 189 | Q | A | -2.0408 | |
| 190 | P | A | -0.9652 | |
| 191 | L | A | 0.0000 | |
| 192 | V | A | 1.5577 | |
| 193 | L | A | 0.5542 | |
| 194 | S | A | -0.3728 | |
| 195 | H | A | -0.9692 | |
| 196 | R | A | 0.0000 | |
| 197 | D | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | N | A | 0.0000 | |
| 204 | G | A | 0.0000 | |
| 205 | T | A | 0.0000 | |
| 206 | S | A | 0.0000 | |
| 207 | A | A | 0.0000 | |
| 208 | M | A | 0.0000 | |
| 209 | T | A | 0.0000 | |
| 210 | G | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | V | A | -0.2232 | |
| 215 | N | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | H | A | -1.2315 | |
| 218 | A | A | 0.0000 | |
| 219 | C | A | 0.0000 | |
| 220 | R | A | -1.8515 | |
| 221 | H | A | -1.5639 | |
| 222 | L | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | N | A | -0.7727 | |
| 225 | W | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | T | A | 0.0000 | |
| 231 | A | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | E | A | 0.0000 | |
| 236 | C | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | -1.4004 | |
| 239 | G | A | 0.0000 | |
| 240 | R | A | -1.5027 | |
| 241 | T | A | -1.4364 | |
| 242 | E | A | -1.2584 | |
| 243 | A | A | -0.6455 | |
| 244 | W | A | 0.0000 | |
| 245 | D | A | -1.2938 | |
| 246 | A | A | -1.0643 | |
| 247 | T | A | -0.4077 | |
| 248 | F | A | 0.2909 | |
| 249 | S | A | 0.0000 | |
| 250 | D | A | -1.7708 | |
| 251 | L | A | -0.0174 | |
| 252 | R | A | -1.9178 | |
| 253 | P | A | -2.0632 | |
| 254 | H | A | -2.2458 | |
| 255 | P | A | -1.9793 | |
| 256 | G | A | 0.0000 | |
| 257 | Q | A | -1.9795 | |
| 258 | K | A | -2.6707 | |
| 259 | D | A | -2.6490 | |
| 260 | A | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | A | A | -1.5417 | |
| 263 | R | A | -1.7241 | |
| 264 | L | A | 0.0000 | |
| 265 | R | A | -1.9095 | |
| 266 | A | A | -1.4835 | |
| 267 | R | A | -1.7260 | |
| 268 | V | A | 0.0000 | |
| 269 | D | A | -2.4877 | |
| 270 | G | A | -1.5967 | |
| 271 | S | A | 0.0000 | |
| 272 | A | A | -1.0177 | |
| 273 | R | A | -1.1354 | |
| 274 | V | A | 0.0000 | |
| 275 | V | A | -1.0575 | |
| 276 | R | A | -1.9389 | |
| 277 | H | A | -1.8066 | |
| 278 | V | A | -0.7466 | |
| 279 | I | A | -0.7321 | |
| 280 | A | A | -1.0964 | |
| 281 | E | A | -2.6617 | |
| 282 | R | A | -3.1702 | |
| 283 | R | A | -2.8427 | |
| 284 | L | A | -0.9515 | |
| 285 | D | A | -1.8532 | |
| 286 | A | A | -0.7897 | |
| 287 | G | A | -0.7010 | |
| 288 | D | A | -0.9043 | |
| 289 | I | A | 0.8823 | |
| 290 | G | A | -0.2747 | |
| 291 | T | A | -1.2021 | |
| 292 | E | A | -2.5564 | |
| 293 | P | A | -2.1139 | |
| 294 | E | A | -2.8567 | |
| 295 | A | A | -1.8569 | |
| 296 | G | A | -1.6501 | |
| 297 | Q | A | -1.5737 | |
| 298 | D | A | 0.0000 | |
| 299 | A | A | 0.2099 | |
| 300 | Y | A | 0.8498 | |
| 301 | S | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | R | A | -0.4388 | |
| 304 | C | A | 0.3466 | |
| 305 | A | A | 0.0000 | |
| 306 | P | A | 0.0000 | |
| 307 | Q | A | -0.4874 | |
| 308 | V | A | 0.6060 | |
| 309 | L | A | 0.0000 | |
| 310 | G | A | 0.0000 | |
| 311 | A | A | 0.0266 | |
| 312 | G | A | 0.0000 | |
| 313 | F | A | -0.3799 | |
| 314 | D | A | -0.4160 | |
| 315 | T | A | 0.1824 | |
| 316 | L | A | -0.1808 | |
| 317 | A | A | -0.3729 | |
| 318 | W | A | -0.0840 | |
| 319 | H | A | 0.0000 | |
| 320 | D | A | 0.0000 | |
| 321 | R | A | -1.1644 | |
| 322 | V | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | T | A | -0.0104 | |
| 325 | I | A | 1.1205 | |
| 326 | E | A | 0.2082 | |
| 327 | L | A | 0.0000 | |
| 328 | N | A | -0.2447 | |
| 329 | A | A | 0.1332 | |
| 330 | V | A | 0.3218 | |
| 331 | T | A | 0.0000 | |
| 332 | D | A | 0.0000 | |
| 333 | N | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | V | A | 0.3520 | |
| 336 | F | A | 0.0000 | |
| 337 | P | A | 0.0000 | |
| 338 | P | A | -1.4005 | |
| 339 | D | A | -2.1161 | |
| 340 | G | A | -1.3824 | |
| 341 | S | A | -0.6269 | |
| 342 | V | A | 0.3217 | |
| 343 | P | A | -0.4240 | |
| 344 | A | A | 0.1408 | |
| 345 | L | A | 0.9100 | |
| 346 | H | A | -0.5654 | |
| 347 | G | A | -0.8789 | |
| 348 | G | A | -0.9197 | |
| 349 | N | A | -1.2284 | |
| 350 | F | A | 0.0721 | |
| 351 | M | A | -0.0300 | |
| 352 | G | A | 0.0000 | |
| 353 | Q | A | -0.8748 | |
| 354 | H | A | -0.7386 | |
| 355 | V | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.8888 | |
| 358 | T | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | D | A | 0.0000 | |
| 361 | A | A | 0.3651 | |
| 362 | L | A | 0.0000 | |
| 363 | A | A | 0.0000 | |
| 364 | T | A | 0.0124 | |
| 365 | A | A | 0.6331 | |
| 366 | V | A | 0.0000 | |
| 367 | T | A | 0.2064 | |
| 368 | V | A | 1.5208 | |
| 369 | L | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | G | A | 0.0617 | |
| 372 | L | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | E | A | 0.0000 | |
| 375 | R | A | -1.3031 | |
| 376 | Q | A | 0.0000 | |
| 377 | I | A | 0.0000 | |
| 378 | A | A | -0.5526 | |
| 379 | R | A | -1.1891 | |
| 380 | L | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | D | A | -1.7157 | |
| 383 | E | A | -2.9315 | |
| 384 | R | A | -2.8033 | |
| 385 | L | A | -1.3103 | |
| 386 | N | A | 0.0000 | |
| 387 | R | A | -1.9662 | |
| 388 | G | A | -1.5727 | |
| 389 | L | A | 0.0000 | |
| 390 | P | A | -1.0102 | |
| 391 | P | A | -1.0535 | |
| 392 | F | A | -0.1134 | |
| 393 | L | A | 0.0000 | |
| 394 | H | A | 0.0000 | |
| 395 | R | A | -1.5141 | |
| 396 | G | A | -1.2650 | |
| 397 | P | A | -0.2580 | |
| 398 | A | A | -0.0875 | |
| 399 | G | A | 0.0746 | |
| 400 | L | A | 0.9379 | |
| 401 | N | A | 0.0000 | |
| 402 | S | A | -0.1539 | |
| 403 | G | A | -0.6297 | |
| 404 | F | A | 0.0000 | |
| 405 | M | A | 0.5884 | |
| 406 | G | A | 0.1742 | |
| 407 | A | A | 0.0000 | |
| 408 | Q | A | 0.6096 | |
| 409 | V | A | 1.6737 | |
| 410 | T | A | 0.7047 | |
| 411 | A | A | 0.0000 | |
| 412 | T | A | 0.2197 | |
| 413 | A | A | 0.1532 | |
| 414 | L | A | -0.4979 | |
| 415 | L | A | -0.4386 | |
| 416 | A | A | -1.2911 | |
| 417 | E | A | -2.2671 | |
| 418 | M | A | 0.0000 | |
| 419 | R | A | -2.2329 | |
| 420 | A | A | -1.5169 | |
| 421 | T | A | -1.3137 | |
| 422 | G | A | -0.6169 | |
| 423 | P | A | 0.2466 | |
| 424 | A | A | 0.0000 | |
| 425 | S | A | 0.6658 | |
| 426 | I | A | 1.7961 | |
| 427 | H | A | 0.5900 | |
| 428 | S | A | 1.1861 | |
| 429 | I | A | 1.8262 | |
| 430 | S | A | -0.1274 | |
| 431 | T | A | -0.4167 | |
| 432 | N | A | -1.2662 | |
| 433 | A | A | -0.9418 | |
| 434 | A | A | -1.1175 | |
| 435 | N | A | -1.8816 | |
| 436 | Q | A | -1.1614 | |
| 437 | D | A | -1.2413 | |
| 438 | V | A | 0.9957 | |
| 439 | V | A | 0.0000 | |
| 440 | S | A | 0.0000 | |
| 441 | L | A | 0.0000 | |
| 442 | G | A | 0.0000 | |
| 443 | T | A | 0.0000 | |
| 444 | I | A | 0.0475 | |
| 445 | A | A | 0.0000 | |
| 446 | A | A | 0.0000 | |
| 447 | R | A | -0.7731 | |
| 448 | L | A | -0.5352 | |
| 449 | C | A | 0.0000 | |
| 450 | R | A | -1.2604 | |
| 451 | E | A | -2.1000 | |
| 452 | K | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | D | A | -1.3466 | |
| 455 | R | A | -1.2330 | |
| 456 | W | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | E | A | -0.4659 | |
| 459 | I | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | 0.0000 | |
| 462 | I | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | 0.0000 | |
| 465 | L | A | 0.0000 | |
| 466 | C | A | 0.0000 | |
| 467 | L | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | Q | A | 0.0000 | |
| 470 | A | A | 0.0000 | |
| 471 | A | A | 0.0000 | |
| 472 | E | A | 0.0000 | |
| 473 | L | A | 0.0145 | |
| 474 | R | A | -0.7869 | |
| 475 | C | A | 0.0000 | |
| 476 | G | A | -0.9315 | |
| 477 | S | A | -0.9296 | |
| 478 | G | A | -1.3130 | |
| 479 | L | A | 0.0000 | |
| 480 | D | A | -2.2287 | |
| 481 | G | A | -1.3175 | |
| 482 | L | A | 0.0000 | |
| 483 | S | A | 0.0000 | |
| 484 | P | A | -1.3801 | |
| 485 | A | A | -1.0915 | |
| 486 | G | A | 0.0000 | |
| 487 | K | A | -1.6444 | |
| 488 | K | A | -1.7416 | |
| 489 | L | A | 0.0000 | |
| 490 | V | A | 0.0000 | |
| 491 | Q | A | -2.0666 | |
| 492 | A | A | -1.4859 | |
| 493 | L | A | 0.0000 | |
| 494 | R | A | -2.1373 | |
| 495 | E | A | -2.7900 | |
| 496 | Q | A | -2.3555 | |
| 497 | F | A | 0.0000 | |
| 498 | P | A | -1.3588 | |
| 499 | P | A | -0.8322 | |
| 500 | L | A | 0.0000 | |
| 501 | E | A | -2.5130 | |
| 502 | T | A | -1.6671 | |
| 503 | D | A | -1.6041 | |
| 504 | R | A | -1.3511 | |
| 505 | P | A | -1.0642 | |
| 506 | L | A | -0.9594 | |
| 507 | G | A | -1.2534 | |
| 508 | Q | A | -1.5286 | |
| 509 | E | A | -1.1413 | |
| 510 | I | A | 0.0000 | |
| 511 | A | A | -0.7671 | |
| 512 | A | A | -0.7432 | |
| 513 | L | A | 0.0000 | |
| 514 | A | A | 0.0000 | |
| 515 | T | A | -0.7821 | |
| 516 | H | A | -1.1545 | |
| 517 | L | A | 0.0000 | |
| 518 | L | A | -1.1844 | |
| 519 | Q | A | -1.9534 | |
| 520 | Q | A | -1.6876 | |
| 521 | S | A | -0.7700 | |
| 522 | P | A | 0.2303 | |
| 523 | V | A | 1.0925 |
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 | -0.4656 | 3.0894 | View | CSV | PDB |
| 4.5 | -0.519 | 2.8847 | View | CSV | PDB |
| 5.0 | -0.582 | 2.7452 | View | CSV | PDB |
| 5.5 | -0.6457 | 2.7452 | View | CSV | PDB |
| 6.0 | -0.7044 | 2.7452 | View | CSV | PDB |
| 6.5 | -0.7562 | 2.7452 | View | CSV | PDB |
| 7.0 | -0.8005 | 2.7452 | View | CSV | PDB |
| 7.5 | -0.8375 | 2.7452 | View | CSV | PDB |
| 8.0 | -0.8682 | 2.7452 | View | CSV | PDB |
| 8.5 | -0.8913 | 2.7452 | View | CSV | PDB |
| 9.0 | -0.9052 | 2.7452 | 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