| Chain sequence(s) |
A: MSSSTGTSKVVSETSSTIVDDIPRLSANYHGDLWHHNVIQTLETPFRESSTYQERADELVVKIKDMFNALGDGDISPSAYDTAWVARLATISSDGSEKPRFPQALNWVFNNQLQDGSWGIESHFSLCDRLLNTTNSVIALSVWKTGHSQVQQGAEFIAENLRLLNEEDELSPDFQIIFPALLQKAKALGINLPYDLPFIKYLSTTREARLTDVSAAADNIPANMLNALEGLEEVIDWNKIMRFQSKDGSFLSSPASTACVLMNTGDEKCFTFLNNLLDKFGGCVPCMYSIDLLERLSLVDNIEHLGIGRHFKQEIKGALDYVYRHWSERGIGWGRDSLVPDLNTTALGLRTLRMHGYNVSSDVLNNFKDENGRFFSSAGQTHVELRSVVNLFRASDLAFPDERAMDDARKFAEPYLREALATKISTNTKLFKEIEYVVEYPWHMSIPRLEARSYIDSYDDNYVWQRKTLYRMPSLSNSKCLELAKLDFNIVQSLHQEELKLLTRWWKESGMADINFTRHRVAEVYFSSATFEPEYSATRIAFTKIGCLQVLFDDMADIFATLDELKSFTEGVKRWDTSLLHEIPECMQTCFKVWFKLMEEVNNDVVKVQGRDMLAHIRKPWELYFNCYVQEREWLEAGYIPTFEEYLKTYAISVGLGPCTLQPILLMGELVKDDVVEKVHYPSNMFELVSLSWRLTNDTKTYQAEKARGQQASGIACYMKDNPGATEEDAIKHICRVVDRALKEASFEYFKPSNDIPMGCKSFIFNLRLCVQIFYKFIDGYGIANEEIKDYIRKVYIDPIQV
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:09)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:35:56)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fc02e88a6984bef/tmp/folded.pdb (00:35:56)
[INFO] Main: Simulation completed successfully. (00:51:33)
|
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 | 0.8632 | |
| 2 | S | A | 0.1315 | |
| 3 | S | A | -0.2236 | |
| 4 | S | A | -0.4391 | |
| 5 | T | A | -0.5461 | |
| 6 | G | A | -0.7653 | |
| 7 | T | A | -0.8300 | |
| 8 | S | A | -1.0158 | |
| 9 | K | A | -1.6039 | |
| 10 | V | A | -0.9092 | |
| 11 | V | A | -1.0020 | |
| 12 | S | A | -1.5722 | |
| 13 | E | A | -2.0788 | |
| 14 | T | A | -1.2209 | |
| 15 | S | A | -0.8380 | |
| 16 | S | A | 0.3505 | |
| 17 | T | A | 0.7448 | |
| 18 | I | A | 1.4654 | |
| 19 | V | A | -0.0107 | |
| 20 | D | A | -1.9397 | |
| 21 | D | A | -1.5704 | |
| 22 | I | A | 0.0931 | |
| 23 | P | A | 0.4482 | |
| 24 | R | A | 0.0000 | |
| 25 | L | A | 0.5960 | |
| 26 | S | A | -0.6338 | |
| 27 | A | A | 0.0000 | |
| 28 | N | A | -1.8817 | |
| 29 | Y | A | -1.1512 | |
| 30 | H | A | -0.9005 | |
| 31 | G | A | -1.2502 | |
| 32 | D | A | -0.9837 | |
| 33 | L | A | -0.2954 | |
| 34 | W | A | 0.0000 | |
| 35 | H | A | -0.8718 | |
| 36 | H | A | -1.3011 | |
| 37 | N | A | -1.2328 | |
| 38 | V | A | 0.4479 | |
| 39 | I | A | 0.0000 | |
| 40 | Q | A | -1.2309 | |
| 41 | T | A | -0.5499 | |
| 42 | L | A | -1.0614 | |
| 43 | E | A | -2.3063 | |
| 44 | T | A | 0.0000 | |
| 45 | P | A | -1.4608 | |
| 46 | F | A | 0.0000 | |
| 47 | R | A | -2.0020 | |
| 48 | E | A | -2.5667 | |
| 49 | S | A | -1.5886 | |
| 50 | S | A | -1.6184 | |
| 51 | T | A | -1.5769 | |
| 52 | Y | A | -1.3239 | |
| 53 | Q | A | -2.7444 | |
| 54 | E | A | -3.4457 | |
| 55 | R | A | -2.9347 | |
| 56 | A | A | 0.0000 | |
| 57 | D | A | -2.8946 | |
| 58 | E | A | -2.7112 | |
| 59 | L | A | 0.0000 | |
| 60 | V | A | -1.0340 | |
| 61 | V | A | 0.0393 | |
| 62 | K | A | -1.2979 | |
| 63 | I | A | 0.0000 | |
| 64 | K | A | -1.4163 | |
| 65 | D | A | -2.1276 | |
| 66 | M | A | -1.1584 | |
| 67 | F | A | 0.0000 | |
| 68 | N | A | -2.1074 | |
| 69 | A | A | -1.2822 | |
| 70 | L | A | -0.8762 | |
| 71 | G | A | -0.8306 | |
| 72 | D | A | -0.9393 | |
| 73 | G | A | -1.1572 | |
| 74 | D | A | -1.9868 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -0.5412 | |
| 77 | P | A | -0.3367 | |
| 78 | S | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | T | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | W | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | R | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | A | A | -0.5676 | |
| 90 | T | A | -0.2948 | |
| 91 | I | A | 0.3061 | |
| 92 | S | A | -0.8515 | |
| 93 | S | A | -1.0158 | |
| 94 | D | A | -2.0529 | |
| 95 | G | A | -1.4289 | |
| 96 | S | A | -1.5258 | |
| 97 | E | A | -2.2408 | |
| 98 | K | A | -2.0543 | |
| 99 | P | A | -1.1236 | |
| 100 | R | A | -0.9036 | |
| 101 | F | A | 0.0000 | |
| 102 | P | A | -1.1528 | |
| 103 | Q | A | -1.4044 | |
| 104 | A | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | N | A | -1.5610 | |
| 107 | W | A | -1.0293 | |
| 108 | V | A | 0.0000 | |
| 109 | F | A | -0.5354 | |
| 110 | N | A | -1.4488 | |
| 111 | N | A | -1.2901 | |
| 112 | Q | A | -1.2758 | |
| 113 | L | A | -1.6222 | |
| 114 | Q | A | -2.0881 | |
| 115 | D | A | -2.2364 | |
| 116 | G | A | 0.0000 | |
| 117 | S | A | 0.0000 | |
| 118 | W | A | 0.0000 | |
| 119 | G | A | -0.3552 | |
| 120 | I | A | -0.4534 | |
| 121 | E | A | -1.7465 | |
| 122 | S | A | -0.8035 | |
| 123 | H | A | 0.0464 | |
| 124 | F | A | 1.4198 | |
| 125 | S | A | 0.7481 | |
| 126 | L | A | 0.6869 | |
| 127 | C | A | 0.0000 | |
| 128 | D | A | 0.0000 | |
| 129 | R | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | N | A | 0.0000 | |
| 133 | T | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | N | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | A | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | S | A | -0.4630 | |
| 142 | V | A | 0.0776 | |
| 143 | W | A | -0.9049 | |
| 144 | K | A | -1.6498 | |
| 145 | T | A | -1.0105 | |
| 146 | G | A | 0.0000 | |
| 147 | H | A | -1.6598 | |
| 148 | S | A | -1.0808 | |
| 149 | Q | A | -1.2619 | |
| 150 | V | A | -1.3658 | |
| 151 | Q | A | -2.3558 | |
| 152 | Q | A | -2.3410 | |
| 153 | G | A | 0.0000 | |
| 154 | A | A | -1.9686 | |
| 155 | E | A | -3.1084 | |
| 156 | F | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | A | A | -1.9679 | |
| 159 | E | A | -2.5347 | |
| 160 | N | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | R | A | -1.7212 | |
| 163 | L | A | 0.0658 | |
| 164 | L | A | 0.0000 | |
| 165 | N | A | -2.5067 | |
| 166 | E | A | -3.3780 | |
| 167 | E | A | -3.6339 | |
| 168 | D | A | -2.8925 | |
| 169 | E | A | -2.7556 | |
| 170 | L | A | -1.2561 | |
| 171 | S | A | 0.0000 | |
| 172 | P | A | -0.4780 | |
| 173 | D | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | Q | A | -0.1588 | |
| 176 | I | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | A | A | -0.9450 | |
| 181 | L | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | Q | A | -1.5892 | |
| 184 | K | A | -1.5061 | |
| 185 | A | A | 0.0000 | |
| 186 | K | A | -2.3889 | |
| 187 | A | A | -1.1117 | |
| 188 | L | A | -0.5706 | |
| 189 | G | A | -1.2212 | |
| 190 | I | A | 0.0000 | |
| 191 | N | A | -2.0278 | |
| 192 | L | A | 0.0000 | |
| 193 | P | A | -1.4415 | |
| 194 | Y | A | -1.4995 | |
| 195 | D | A | -1.8533 | |
| 196 | L | A | -1.1550 | |
| 197 | P | A | -0.9943 | |
| 198 | F | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | K | A | -1.2249 | |
| 201 | Y | A | -0.2957 | |
| 202 | L | A | 0.0000 | |
| 203 | S | A | -0.8299 | |
| 204 | T | A | -0.8803 | |
| 205 | T | A | -0.7879 | |
| 206 | R | A | 0.0000 | |
| 207 | E | A | -2.2552 | |
| 208 | A | A | -1.7664 | |
| 209 | R | A | -2.1014 | |
| 210 | L | A | -1.8862 | |
| 211 | T | A | -1.6241 | |
| 212 | D | A | -2.3870 | |
| 213 | V | A | 0.0000 | |
| 214 | S | A | -1.2890 | |
| 215 | A | A | -0.9401 | |
| 216 | A | A | -1.0969 | |
| 217 | A | A | -0.8689 | |
| 218 | D | A | -2.0745 | |
| 219 | N | A | -1.4985 | |
| 220 | I | A | 0.0000 | |
| 221 | P | A | -0.9230 | |
| 222 | A | A | -0.4948 | |
| 223 | N | A | -0.7577 | |
| 224 | M | A | -0.4096 | |
| 225 | L | A | 0.0000 | |
| 226 | N | A | 0.0000 | |
| 227 | A | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | E | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | E | A | -1.4059 | |
| 233 | E | A | -1.9863 | |
| 234 | V | A | -1.1664 | |
| 235 | I | A | 0.0000 | |
| 236 | D | A | -1.5713 | |
| 237 | W | A | -1.1052 | |
| 238 | N | A | -1.8180 | |
| 239 | K | A | -2.0195 | |
| 240 | I | A | 0.0000 | |
| 241 | M | A | -0.9393 | |
| 242 | R | A | -1.3457 | |
| 243 | F | A | -0.4529 | |
| 244 | Q | A | -0.7997 | |
| 245 | S | A | 0.0000 | |
| 246 | K | A | -2.3360 | |
| 247 | D | A | -1.8733 | |
| 248 | G | A | 0.0000 | |
| 249 | S | A | 0.0000 | |
| 250 | F | A | 0.0000 | |
| 251 | L | A | 0.2359 | |
| 252 | S | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | P | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | T | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | C | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | M | A | -0.0112 | |
| 263 | N | A | -0.6209 | |
| 264 | T | A | -0.8495 | |
| 265 | G | A | -1.1293 | |
| 266 | D | A | -1.5564 | |
| 267 | E | A | -2.4245 | |
| 268 | K | A | -2.5430 | |
| 269 | C | A | 0.0000 | |
| 270 | F | A | -0.8353 | |
| 271 | T | A | -1.3253 | |
| 272 | F | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | N | A | -1.8521 | |
| 275 | N | A | -2.3865 | |
| 276 | L | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | D | A | -3.1586 | |
| 279 | K | A | -2.5938 | |
| 280 | F | A | -1.4631 | |
| 281 | G | A | -1.4025 | |
| 282 | G | A | 0.0000 | |
| 283 | C | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | P | A | 0.0000 | |
| 286 | C | A | 0.0000 | |
| 287 | M | A | 0.0000 | |
| 288 | Y | A | 0.0000 | |
| 289 | S | A | -0.7232 | |
| 290 | I | A | 0.0000 | |
| 291 | D | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | E | A | 0.0000 | |
| 295 | R | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | S | A | -0.1619 | |
| 298 | L | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | D | A | 0.0000 | |
| 301 | N | A | -0.3761 | |
| 302 | I | A | 0.0000 | |
| 303 | E | A | -0.9334 | |
| 304 | H | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | G | A | -0.6130 | |
| 307 | I | A | 0.0000 | |
| 308 | G | A | -1.1432 | |
| 309 | R | A | -1.4798 | |
| 310 | H | A | -1.3028 | |
| 311 | F | A | 0.0000 | |
| 312 | K | A | -3.0349 | |
| 313 | Q | A | -2.9080 | |
| 314 | E | A | -2.5629 | |
| 315 | I | A | 0.0000 | |
| 316 | K | A | -2.6986 | |
| 317 | G | A | -1.8952 | |
| 318 | A | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | D | A | -1.0191 | |
| 321 | Y | A | -0.7152 | |
| 322 | V | A | 0.0000 | |
| 323 | Y | A | -0.5484 | |
| 324 | R | A | -1.7743 | |
| 325 | H | A | -1.2043 | |
| 326 | W | A | -0.9792 | |
| 327 | S | A | -1.4603 | |
| 328 | E | A | -2.8535 | |
| 329 | R | A | -2.4031 | |
| 330 | G | A | 0.0000 | |
| 331 | I | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | W | A | -0.1617 | |
| 334 | G | A | 0.0000 | |
| 335 | R | A | -1.6331 | |
| 336 | D | A | -1.5286 | |
| 337 | S | A | -0.6660 | |
| 338 | L | A | -0.2601 | |
| 339 | V | A | 0.2918 | |
| 340 | P | A | -0.2657 | |
| 341 | D | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | N | A | -0.3858 | |
| 344 | T | A | 0.0000 | |
| 345 | T | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | R | A | -0.1292 | |
| 351 | T | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | R | A | 0.0000 | |
| 354 | M | A | -0.0787 | |
| 355 | H | A | -0.6245 | |
| 356 | G | A | -0.9160 | |
| 357 | Y | A | -0.7971 | |
| 358 | N | A | -1.4216 | |
| 359 | V | A | 0.0000 | |
| 360 | S | A | -1.4055 | |
| 361 | S | A | 0.0000 | |
| 362 | D | A | -3.0003 | |
| 363 | V | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | N | A | -2.3685 | |
| 366 | N | A | -1.9580 | |
| 367 | F | A | 0.0000 | |
| 368 | K | A | -2.2233 | |
| 369 | D | A | -2.8417 | |
| 370 | E | A | -3.2196 | |
| 371 | N | A | -3.0672 | |
| 372 | G | A | -2.8151 | |
| 373 | R | A | -3.0458 | |
| 374 | F | A | 0.0000 | |
| 375 | F | A | -0.2998 | |
| 376 | S | A | 0.0000 | |
| 377 | S | A | 0.0000 | |
| 378 | A | A | -0.2228 | |
| 379 | G | A | 0.0000 | |
| 380 | Q | A | -0.4874 | |
| 381 | T | A | -0.3695 | |
| 382 | H | A | -0.3468 | |
| 383 | V | A | 0.0916 | |
| 384 | E | A | -0.8630 | |
| 385 | L | A | -0.3466 | |
| 386 | R | A | -0.5466 | |
| 387 | S | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | V | A | 0.0000 | |
| 390 | N | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | R | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | S | A | 0.0000 | |
| 396 | D | A | 0.0000 | |
| 397 | L | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | F | A | 0.0000 | |
| 400 | P | A | -2.0482 | |
| 401 | D | A | -2.9718 | |
| 402 | E | A | -2.7396 | |
| 403 | R | A | -3.3670 | |
| 404 | A | A | 0.0000 | |
| 405 | M | A | 0.0000 | |
| 406 | D | A | -2.7667 | |
| 407 | D | A | -2.3822 | |
| 408 | A | A | 0.0000 | |
| 409 | R | A | -1.9557 | |
| 410 | K | A | -2.5650 | |
| 411 | F | A | -1.6288 | |
| 412 | A | A | 0.0000 | |
| 413 | E | A | -1.5349 | |
| 414 | P | A | -1.4262 | |
| 415 | Y | A | -0.8760 | |
| 416 | L | A | 0.0000 | |
| 417 | R | A | -2.0726 | |
| 418 | E | A | -2.4512 | |
| 419 | A | A | 0.0000 | |
| 420 | L | A | -1.3080 | |
| 421 | A | A | -1.1259 | |
| 422 | T | A | -1.4657 | |
| 423 | K | A | -2.1183 | |
| 424 | I | A | 0.0000 | |
| 425 | S | A | -1.0767 | |
| 426 | T | A | -1.2024 | |
| 427 | N | A | -1.5855 | |
| 428 | T | A | -1.0921 | |
| 429 | K | A | -1.7355 | |
| 430 | L | A | -0.5365 | |
| 431 | F | A | -0.9398 | |
| 432 | K | A | -1.6317 | |
| 433 | E | A | 0.0000 | |
| 434 | I | A | 0.0000 | |
| 435 | E | A | -1.2959 | |
| 436 | Y | A | -0.6213 | |
| 437 | V | A | 0.0000 | |
| 438 | V | A | 0.0000 | |
| 439 | E | A | -0.7359 | |
| 440 | Y | A | -0.2060 | |
| 441 | P | A | -0.0226 | |
| 442 | W | A | 0.0398 | |
| 443 | H | A | -0.2727 | |
| 444 | M | A | -0.0362 | |
| 445 | S | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | P | A | -0.2629 | |
| 448 | R | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | E | A | -0.4449 | |
| 451 | A | A | 0.0000 | |
| 452 | R | A | -1.0285 | |
| 453 | S | A | -1.1693 | |
| 454 | Y | A | 0.0000 | |
| 455 | I | A | 0.0000 | |
| 456 | D | A | -2.2705 | |
| 457 | S | A | 0.0000 | |
| 458 | Y | A | 0.0000 | |
| 459 | D | A | -1.5040 | |
| 460 | D | A | -1.5820 | |
| 461 | N | A | -1.6233 | |
| 462 | Y | A | -0.5465 | |
| 463 | V | A | -0.2632 | |
| 464 | W | A | -0.0892 | |
| 465 | Q | A | -0.7437 | |
| 466 | R | A | 0.0000 | |
| 467 | K | A | 0.0000 | |
| 468 | T | A | 0.0000 | |
| 469 | L | A | 0.0000 | |
| 470 | Y | A | 0.0000 | |
| 471 | R | A | -0.7622 | |
| 472 | M | A | 0.0000 | |
| 473 | P | A | -0.9636 | |
| 474 | S | A | 0.0000 | |
| 475 | L | A | 0.0000 | |
| 476 | S | A | -0.9284 | |
| 477 | N | A | -1.1608 | |
| 478 | S | A | -1.3713 | |
| 479 | K | A | -1.5918 | |
| 480 | C | A | 0.0000 | |
| 481 | L | A | -0.8045 | |
| 482 | E | A | -0.8043 | |
| 483 | L | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | K | A | -0.5343 | |
| 486 | L | A | 0.0000 | |
| 487 | D | A | 0.0000 | |
| 488 | F | A | 0.0000 | |
| 489 | N | A | 0.0000 | |
| 490 | I | A | 0.0000 | |
| 491 | V | A | 0.0000 | |
| 492 | Q | A | 0.0000 | |
| 493 | S | A | 0.0000 | |
| 494 | L | A | -0.6057 | |
| 495 | H | A | 0.0000 | |
| 496 | Q | A | 0.0000 | |
| 497 | E | A | -1.7352 | |
| 498 | E | A | 0.0000 | |
| 499 | L | A | 0.0000 | |
| 500 | K | A | -0.9986 | |
| 501 | L | A | -0.2408 | |
| 502 | L | A | 0.0000 | |
| 503 | T | A | 0.0000 | |
| 504 | R | A | -2.7035 | |
| 505 | W | A | -1.6594 | |
| 506 | W | A | 0.0000 | |
| 507 | K | A | -3.1644 | |
| 508 | E | A | -3.1417 | |
| 509 | S | A | -2.1099 | |
| 510 | G | A | -1.6616 | |
| 511 | M | A | 0.0000 | |
| 512 | A | A | -2.2170 | |
| 513 | D | A | -2.5823 | |
| 514 | I | A | 0.0000 | |
| 515 | N | A | -1.9829 | |
| 516 | F | A | 0.0000 | |
| 517 | T | A | 0.0000 | |
| 518 | R | A | -0.8363 | |
| 519 | H | A | -0.8852 | |
| 520 | R | A | 0.0000 | |
| 521 | V | A | 0.0000 | |
| 522 | A | A | 0.0000 | |
| 523 | E | A | 0.0000 | |
| 524 | V | A | 0.0000 | |
| 525 | Y | A | 0.0000 | |
| 526 | F | A | 0.0000 | |
| 527 | S | A | 0.0000 | |
| 528 | S | A | 0.0000 | |
| 529 | A | A | 0.0000 | |
| 530 | T | A | 0.0000 | |
| 531 | F | A | -0.1910 | |
| 532 | E | A | -0.8320 | |
| 533 | P | A | -0.9576 | |
| 534 | E | A | -1.8915 | |
| 535 | Y | A | -0.7769 | |
| 536 | S | A | -0.4084 | |
| 537 | A | A | -0.3157 | |
| 538 | T | A | 0.0000 | |
| 539 | R | A | 0.0000 | |
| 540 | I | A | 0.3976 | |
| 541 | A | A | 0.0000 | |
| 542 | F | A | 0.0000 | |
| 543 | T | A | 0.0000 | |
| 544 | K | A | -0.1646 | |
| 545 | I | A | 0.0000 | |
| 546 | G | A | -0.0453 | |
| 547 | C | A | 0.0000 | |
| 548 | L | A | 0.0000 | |
| 549 | Q | A | 0.0000 | |
| 550 | V | A | -0.0742 | |
| 551 | L | A | 0.0000 | |
| 552 | F | A | 0.0000 | |
| 553 | D | A | -0.5767 | |
| 554 | D | A | 0.0000 | |
| 555 | M | A | 0.0000 | |
| 556 | A | A | 0.0000 | |
| 557 | D | A | -0.4842 | |
| 558 | I | A | 0.0733 | |
| 559 | F | A | 0.0000 | |
| 560 | A | A | 0.0000 | |
| 561 | T | A | -0.5847 | |
| 562 | L | A | -1.5781 | |
| 563 | D | A | -2.2764 | |
| 564 | E | A | 0.0000 | |
| 565 | L | A | 0.0000 | |
| 566 | K | A | -2.4043 | |
| 567 | S | A | -2.0686 | |
| 568 | F | A | 0.0000 | |
| 569 | T | A | 0.0000 | |
| 570 | E | A | -2.6220 | |
| 571 | G | A | 0.0000 | |
| 572 | V | A | 0.0000 | |
| 573 | K | A | -2.5226 | |
| 574 | R | A | -2.4179 | |
| 575 | W | A | -1.4358 | |
| 576 | D | A | -1.2757 | |
| 577 | T | A | -0.7285 | |
| 578 | S | A | -0.8649 | |
| 579 | L | A | -1.1322 | |
| 580 | L | A | -1.3444 | |
| 581 | H | A | -2.0065 | |
| 582 | E | A | -2.7517 | |
| 583 | I | A | 0.0000 | |
| 584 | P | A | 0.0000 | |
| 585 | E | A | -2.3169 | |
| 586 | C | A | -1.2185 | |
| 587 | M | A | 0.0000 | |
| 588 | Q | A | -1.4733 | |
| 589 | T | A | -0.9170 | |
| 590 | C | A | 0.0000 | |
| 591 | F | A | 0.0000 | |
| 592 | K | A | -1.6125 | |
| 593 | V | A | -0.9664 | |
| 594 | W | A | 0.0000 | |
| 595 | F | A | -1.7226 | |
| 596 | K | A | -2.9583 | |
| 597 | L | A | 0.0000 | |
| 598 | M | A | 0.0000 | |
| 599 | E | A | -3.6503 | |
| 600 | E | A | -3.7866 | |
| 601 | V | A | 0.0000 | |
| 602 | N | A | -2.5860 | |
| 603 | N | A | -3.2189 | |
| 604 | D | A | -2.5734 | |
| 605 | V | A | 0.0000 | |
| 606 | V | A | -1.4368 | |
| 607 | K | A | -2.1508 | |
| 608 | V | A | -0.4378 | |
| 609 | Q | A | 0.0000 | |
| 610 | G | A | -0.9953 | |
| 611 | R | A | -1.5546 | |
| 612 | D | A | -2.1710 | |
| 613 | M | A | 0.0000 | |
| 614 | L | A | -0.8093 | |
| 615 | A | A | -0.6256 | |
| 616 | H | A | -1.3741 | |
| 617 | I | A | 0.0000 | |
| 618 | R | A | -1.6595 | |
| 619 | K | A | -1.7491 | |
| 620 | P | A | 0.0000 | |
| 621 | W | A | 0.0000 | |
| 622 | E | A | -1.9008 | |
| 623 | L | A | -0.6457 | |
| 624 | Y | A | 0.0000 | |
| 625 | F | A | 0.0000 | |
| 626 | N | A | -1.0137 | |
| 627 | C | A | 0.0000 | |
| 628 | Y | A | 0.0000 | |
| 629 | V | A | -1.1867 | |
| 630 | Q | A | -1.3182 | |
| 631 | E | A | 0.0000 | |
| 632 | R | A | -1.5124 | |
| 633 | E | A | -2.1200 | |
| 634 | W | A | -1.1741 | |
| 635 | L | A | -1.4124 | |
| 636 | E | A | -2.1351 | |
| 637 | A | A | -1.0694 | |
| 638 | G | A | -1.0068 | |
| 639 | Y | A | -0.0601 | |
| 640 | I | A | 0.0728 | |
| 641 | P | A | 0.0000 | |
| 642 | T | A | -1.2672 | |
| 643 | F | A | -1.3968 | |
| 644 | E | A | -2.3993 | |
| 645 | E | A | -1.7350 | |
| 646 | Y | A | 0.0000 | |
| 647 | L | A | -1.1968 | |
| 648 | K | A | -2.0432 | |
| 649 | T | A | 0.0000 | |
| 650 | Y | A | 0.0000 | |
| 651 | A | A | -0.3134 | |
| 652 | I | A | 0.0735 | |
| 653 | S | A | 0.0000 | |
| 654 | V | A | 0.2828 | |
| 655 | G | A | 0.0000 | |
| 656 | L | A | 0.0000 | |
| 657 | G | A | -0.1167 | |
| 658 | P | A | 0.0000 | |
| 659 | C | A | 0.0000 | |
| 660 | T | A | 0.0000 | |
| 661 | L | A | 0.0000 | |
| 662 | Q | A | 0.0000 | |
| 663 | P | A | 0.0000 | |
| 664 | I | A | 0.0000 | |
| 665 | L | A | 0.0000 | |
| 666 | L | A | 0.0000 | |
| 667 | M | A | 0.0000 | |
| 668 | G | A | -0.5919 | |
| 669 | E | A | -0.0037 | |
| 670 | L | A | 0.5377 | |
| 671 | V | A | 0.0000 | |
| 672 | K | A | -2.7489 | |
| 673 | D | A | -3.6215 | |
| 674 | D | A | -3.8309 | |
| 675 | V | A | 0.0000 | |
| 676 | V | A | 0.0000 | |
| 677 | E | A | -3.3288 | |
| 678 | K | A | -2.8326 | |
| 679 | V | A | 0.0000 | |
| 680 | H | A | 0.0000 | |
| 681 | Y | A | -1.0717 | |
| 682 | P | A | -1.2670 | |
| 683 | S | A | -1.6892 | |
| 684 | N | A | -1.7412 | |
| 685 | M | A | 0.0000 | |
| 686 | F | A | 0.0000 | |
| 687 | E | A | -1.5649 | |
| 688 | L | A | 0.0000 | |
| 689 | V | A | 0.0000 | |
| 690 | S | A | 0.0000 | |
| 691 | L | A | -0.2367 | |
| 692 | S | A | 0.0000 | |
| 693 | W | A | 0.0000 | |
| 694 | R | A | -0.0060 | |
| 695 | L | A | 0.0000 | |
| 696 | T | A | 0.0000 | |
| 697 | N | A | -0.3670 | |
| 698 | D | A | 0.0000 | |
| 699 | T | A | -0.5624 | |
| 700 | K | A | -0.4364 | |
| 701 | T | A | -0.6901 | |
| 702 | Y | A | 0.0000 | |
| 703 | Q | A | -1.8011 | |
| 704 | A | A | 0.0000 | |
| 705 | E | A | -1.6044 | |
| 706 | K | A | -2.0626 | |
| 707 | A | A | -1.4655 | |
| 708 | R | A | -1.5814 | |
| 709 | G | A | -1.4901 | |
| 710 | Q | A | -1.7984 | |
| 711 | Q | A | -1.7099 | |
| 712 | A | A | 0.0000 | |
| 713 | S | A | 0.0000 | |
| 714 | G | A | 0.0000 | |
| 715 | I | A | 0.0000 | |
| 716 | A | A | -0.9088 | |
| 717 | C | A | 0.0000 | |
| 718 | Y | A | -1.2265 | |
| 719 | M | A | -1.4436 | |
| 720 | K | A | -2.0405 | |
| 721 | D | A | -2.3203 | |
| 722 | N | A | -1.8153 | |
| 723 | P | A | -1.3848 | |
| 724 | G | A | -1.2459 | |
| 725 | A | A | -1.5647 | |
| 726 | T | A | -1.7370 | |
| 727 | E | A | -2.3546 | |
| 728 | E | A | -3.0634 | |
| 729 | D | A | -2.6214 | |
| 730 | A | A | 0.0000 | |
| 731 | I | A | -1.7063 | |
| 732 | K | A | -2.6449 | |
| 733 | H | A | -2.1547 | |
| 734 | I | A | 0.0000 | |
| 735 | C | A | -1.5751 | |
| 736 | R | A | -2.8490 | |
| 737 | V | A | -1.5530 | |
| 738 | V | A | 0.0000 | |
| 739 | D | A | -3.0086 | |
| 740 | R | A | -2.9974 | |
| 741 | A | A | 0.0000 | |
| 742 | L | A | 0.0000 | |
| 743 | K | A | -1.6602 | |
| 744 | E | A | -1.3479 | |
| 745 | A | A | 0.0000 | |
| 746 | S | A | 0.0000 | |
| 747 | F | A | 0.3516 | |
| 748 | E | A | -0.5039 | |
| 749 | Y | A | -0.1468 | |
| 750 | F | A | -0.3250 | |
| 751 | K | A | -1.2944 | |
| 752 | P | A | -1.2296 | |
| 753 | S | A | -1.2505 | |
| 754 | N | A | -1.6972 | |
| 755 | D | A | -1.8237 | |
| 756 | I | A | -0.8507 | |
| 757 | P | A | -0.1084 | |
| 758 | M | A | 0.5811 | |
| 759 | G | A | 0.2371 | |
| 760 | C | A | 0.0000 | |
| 761 | K | A | 0.0000 | |
| 762 | S | A | 0.1654 | |
| 763 | F | A | 0.0000 | |
| 764 | I | A | 0.0000 | |
| 765 | F | A | 0.0000 | |
| 766 | N | A | -0.2478 | |
| 767 | L | A | 0.0000 | |
| 768 | R | A | 0.0000 | |
| 769 | L | A | 0.0000 | |
| 770 | C | A | 0.0000 | |
| 771 | V | A | 0.0000 | |
| 772 | Q | A | -0.0271 | |
| 773 | I | A | 0.0000 | |
| 774 | F | A | 0.0000 | |
| 775 | Y | A | 0.0000 | |
| 776 | K | A | 0.2368 | |
| 777 | F | A | 1.0848 | |
| 778 | I | A | 0.1357 | |
| 779 | D | A | 0.0000 | |
| 780 | G | A | 0.0000 | |
| 781 | Y | A | 0.1332 | |
| 782 | G | A | 0.0000 | |
| 783 | I | A | 0.0000 | |
| 784 | A | A | 0.0000 | |
| 785 | N | A | -2.0978 | |
| 786 | E | A | -2.8457 | |
| 787 | E | A | -2.3405 | |
| 788 | I | A | 0.0000 | |
| 789 | K | A | -2.7429 | |
| 790 | D | A | -2.9823 | |
| 791 | Y | A | 0.0000 | |
| 792 | I | A | 0.0000 | |
| 793 | R | A | -3.0125 | |
| 794 | K | A | -2.4477 | |
| 795 | V | A | 0.0000 | |
| 796 | Y | A | 0.0000 | |
| 797 | I | A | -1.4731 | |
| 798 | D | A | -1.7911 | |
| 799 | P | A | -1.0166 | |
| 800 | I | A | 0.0000 | |
| 801 | Q | A | -0.5957 | |
| 802 | V | A | 1.0547 |
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 | -0.5957 | 4.1555 | View | CSV | PDB |
| 4.5 | -0.6668 | 3.9752 | View | CSV | PDB |
| 5.0 | -0.7552 | 3.7605 | View | CSV | PDB |
| 5.5 | -0.8466 | 3.531 | View | CSV | PDB |
| 6.0 | -0.9261 | 3.2963 | View | CSV | PDB |
| 6.5 | -0.9818 | 3.0982 | View | CSV | PDB |
| 7.0 | -1.0101 | 3.0701 | View | CSV | PDB |
| 7.5 | -1.0167 | 3.0576 | View | CSV | PDB |
| 8.0 | -1.0094 | 3.053 | View | CSV | PDB |
| 8.5 | -0.9918 | 3.0515 | View | CSV | PDB |
| 9.0 | -0.964 | 3.051 | 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