| Chain sequence(s) |
A: MAVPTGSANLFLRPLILAVLSFLLLSSFVSSVEWLDIDSSDLKALQVIETELGVNSQRSSASDVNPCGRRGVFCERRHSATTGEYVLRVTRLVYRSRSLTGTISPVIGMLSELKELTLSNNQLVNAVPVDILSCKQLEVLDLRKNRFSGQIPGNFSSLSRLRILDLSSNKLSGNLNFLKNLRNLENLSVANNLFSGKIPEQIVSFHNLRFFDFSGNRYLEGPAPVMSSIKLQTSPHQTRHILAETPTSSPTNKPNNSTTSKAPKGAPKPGKLKKKKKKSKKKKVAAWILGFVVGAIGGTISGFVFSVLFKLIIQAIRGSEKPPGPSIFSPLIKKAEDLAFLENEEALASLEIIGRGGCGEVFKAELPGSNGKIIAVKKVIQPPKDADELTDEDSKFLNKKMRQIRSEINTVGHIRHRNLLPLLAHVSRPECHYLVYEYMEKGSLQDILTDVQAGNQELMWPARHKIALGIAAGLEYLHMDHNPRIIHRDLKPANVLLDDDMEARISDFGLAKAMPDAVTHITTSHVAGTVGYIAPEFYQTHKFTDKCDIYSFGVILGILVIGKLPSDEFFQHTDEMSLIKWMRNIITSENPSLAIDPKLMDQGFDEQMLLVLKIACYCTLDDPKQRPNSKDVRTMLSQIKH
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6593cd02bbe3303/tmp/folded.pdb (00:08:09)
[INFO] Main: Simulation completed successfully. (00:11:01)
|
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 | 1.5059 | |
| 2 | A | A | 1.3472 | |
| 3 | V | A | 1.8711 | |
| 4 | P | A | 0.5164 | |
| 5 | T | A | -0.1343 | |
| 6 | G | A | -0.4726 | |
| 7 | S | A | -0.1238 | |
| 8 | A | A | 0.3504 | |
| 9 | N | A | -0.0885 | |
| 10 | L | A | 1.6226 | |
| 11 | F | A | 2.6825 | |
| 12 | L | A | 2.0802 | |
| 13 | R | A | 0.4382 | |
| 14 | P | A | 1.6195 | |
| 15 | L | A | 3.0538 | |
| 16 | I | A | 3.0705 | |
| 17 | L | A | 3.2369 | |
| 18 | A | A | 2.9224 | |
| 19 | V | A | 3.9962 | |
| 20 | L | A | 4.4598 | |
| 21 | S | A | 3.5048 | |
| 22 | F | A | 4.2942 | |
| 23 | L | A | 4.0174 | |
| 24 | L | A | 4.0088 | |
| 25 | L | A | 4.1723 | |
| 26 | S | A | 2.8682 | |
| 27 | S | A | 2.5209 | |
| 28 | F | A | 3.7749 | |
| 29 | V | A | 3.1698 | |
| 30 | S | A | 1.4271 | |
| 31 | S | A | 1.1082 | |
| 32 | V | A | 1.8595 | |
| 33 | E | A | -0.4401 | |
| 34 | W | A | 0.4867 | |
| 35 | L | A | -0.6274 | |
| 36 | D | A | -1.5062 | |
| 37 | I | A | 0.0000 | |
| 38 | D | A | -0.7314 | |
| 39 | S | A | -0.7544 | |
| 40 | S | A | -0.4869 | |
| 41 | D | A | 0.0000 | |
| 42 | L | A | -0.7116 | |
| 43 | K | A | -1.3645 | |
| 44 | A | A | 0.0000 | |
| 45 | L | A | 0.0000 | |
| 46 | Q | A | -1.3612 | |
| 47 | V | A | -0.5990 | |
| 48 | I | A | 0.0000 | |
| 49 | E | A | 0.0000 | |
| 50 | T | A | -1.0232 | |
| 51 | E | A | -1.2316 | |
| 52 | L | A | 0.0000 | |
| 53 | G | A | -0.9870 | |
| 54 | V | A | -1.1726 | |
| 55 | N | A | -1.9780 | |
| 56 | S | A | -1.9253 | |
| 57 | Q | A | -2.6005 | |
| 58 | R | A | -2.8063 | |
| 59 | S | A | -1.3679 | |
| 60 | S | A | -1.1089 | |
| 61 | A | A | -0.5697 | |
| 62 | S | A | -0.6928 | |
| 63 | D | A | -1.1022 | |
| 64 | V | A | 0.4523 | |
| 65 | N | A | -0.2504 | |
| 66 | P | A | 0.0000 | |
| 67 | C | A | -0.3622 | |
| 68 | G | A | -1.0441 | |
| 69 | R | A | -1.7777 | |
| 70 | R | A | -2.2640 | |
| 71 | G | A | -1.0307 | |
| 72 | V | A | 0.0000 | |
| 73 | F | A | 0.4835 | |
| 74 | C | A | 0.0000 | |
| 75 | E | A | -1.0020 | |
| 76 | R | A | -2.3404 | |
| 77 | R | A | -1.9332 | |
| 78 | H | A | -1.9691 | |
| 79 | S | A | 0.0000 | |
| 80 | A | A | -0.6855 | |
| 81 | T | A | -0.6466 | |
| 82 | T | A | -0.9846 | |
| 83 | G | A | -1.4877 | |
| 84 | E | A | -2.0962 | |
| 85 | Y | A | -1.6175 | |
| 86 | V | A | -1.4306 | |
| 87 | L | A | -1.0420 | |
| 88 | R | A | -0.9887 | |
| 89 | V | A | 0.0000 | |
| 90 | T | A | 0.0000 | |
| 91 | R | A | -0.1496 | |
| 92 | L | A | 0.0000 | |
| 93 | V | A | -0.0165 | |
| 94 | Y | A | 0.0000 | |
| 95 | R | A | -0.7998 | |
| 96 | S | A | -0.9926 | |
| 97 | R | A | -0.9334 | |
| 98 | S | A | -0.7902 | |
| 99 | L | A | 0.0000 | |
| 100 | T | A | -0.7225 | |
| 101 | G | A | -0.7089 | |
| 102 | T | A | -0.8684 | |
| 103 | I | A | 0.0000 | |
| 104 | S | A | 0.0000 | |
| 105 | P | A | 0.0095 | |
| 106 | V | A | -0.1220 | |
| 107 | I | A | 0.0000 | |
| 108 | G | A | -0.0077 | |
| 109 | M | A | 0.0935 | |
| 110 | L | A | 0.0000 | |
| 111 | S | A | -0.5650 | |
| 112 | E | A | -0.8848 | |
| 113 | L | A | 0.0000 | |
| 114 | K | A | -1.2998 | |
| 115 | E | A | 0.0000 | |
| 116 | L | A | 0.0000 | |
| 117 | T | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | 0.0000 | |
| 120 | N | A | -1.8523 | |
| 121 | N | A | 0.0000 | |
| 122 | Q | A | -1.5633 | |
| 123 | L | A | 0.0000 | |
| 124 | V | A | -1.0547 | |
| 125 | N | A | -1.5874 | |
| 126 | A | A | -1.0066 | |
| 127 | V | A | 0.0000 | |
| 128 | P | A | 0.2902 | |
| 129 | V | A | 1.2322 | |
| 130 | D | A | 0.2286 | |
| 131 | I | A | 0.0000 | |
| 132 | L | A | -0.1087 | |
| 133 | S | A | -0.3208 | |
| 134 | C | A | 0.0000 | |
| 135 | K | A | -1.8725 | |
| 136 | Q | A | -1.6365 | |
| 137 | L | A | 0.0000 | |
| 138 | E | A | -1.5115 | |
| 139 | V | A | -0.5009 | |
| 140 | L | A | 0.0000 | |
| 141 | D | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | R | A | -1.5932 | |
| 144 | K | A | -2.7045 | |
| 145 | N | A | 0.0000 | |
| 146 | R | A | -2.7309 | |
| 147 | F | A | 0.0000 | |
| 148 | S | A | -1.7105 | |
| 149 | G | A | -1.3987 | |
| 150 | Q | A | -1.7515 | |
| 151 | I | A | 0.0000 | |
| 152 | P | A | -0.2826 | |
| 153 | G | A | -0.8064 | |
| 154 | N | A | -1.3605 | |
| 155 | F | A | 0.0000 | |
| 156 | S | A | -1.4917 | |
| 157 | S | A | -1.0674 | |
| 158 | L | A | 0.0000 | |
| 159 | S | A | -2.1413 | |
| 160 | R | A | -2.7089 | |
| 161 | L | A | 0.0000 | |
| 162 | R | A | -1.7113 | |
| 163 | I | A | -0.4585 | |
| 164 | L | A | 0.0000 | |
| 165 | D | A | -0.4357 | |
| 166 | L | A | 0.0000 | |
| 167 | S | A | -1.2451 | |
| 168 | S | A | -1.7952 | |
| 169 | N | A | 0.0000 | |
| 170 | K | A | -2.4782 | |
| 171 | L | A | 0.0000 | |
| 172 | S | A | -0.8981 | |
| 173 | G | A | -0.9885 | |
| 174 | N | A | -1.6683 | |
| 175 | L | A | 0.0000 | |
| 176 | N | A | -2.2096 | |
| 177 | F | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | K | A | -2.1494 | |
| 180 | N | A | -2.3332 | |
| 181 | L | A | 0.0000 | |
| 182 | R | A | -3.3431 | |
| 183 | N | A | -3.0564 | |
| 184 | L | A | 0.0000 | |
| 185 | E | A | -1.9738 | |
| 186 | N | A | -0.8670 | |
| 187 | L | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | A | A | 0.0000 | |
| 191 | N | A | -1.9718 | |
| 192 | N | A | 0.0000 | |
| 193 | L | A | -0.6497 | |
| 194 | F | A | 0.0000 | |
| 195 | S | A | -0.9175 | |
| 196 | G | A | -1.9384 | |
| 197 | K | A | -2.9012 | |
| 198 | I | A | -1.8324 | |
| 199 | P | A | 0.0000 | |
| 200 | E | A | -1.8391 | |
| 201 | Q | A | -1.5635 | |
| 202 | I | A | 0.0000 | |
| 203 | V | A | 0.8192 | |
| 204 | S | A | -0.6081 | |
| 205 | F | A | 0.0000 | |
| 206 | H | A | -1.7204 | |
| 207 | N | A | -2.5667 | |
| 208 | L | A | 0.0000 | |
| 209 | R | A | -1.7688 | |
| 210 | F | A | -0.1679 | |
| 211 | F | A | 0.0400 | |
| 212 | D | A | -0.3485 | |
| 213 | F | A | 0.0000 | |
| 214 | S | A | -0.9664 | |
| 215 | G | A | -1.2133 | |
| 216 | N | A | 0.0000 | |
| 217 | R | A | -1.6537 | |
| 218 | Y | A | -0.3956 | |
| 219 | L | A | -1.3990 | |
| 220 | E | A | -2.6155 | |
| 221 | G | A | -1.8504 | |
| 222 | P | A | -0.7366 | |
| 223 | A | A | -0.2966 | |
| 224 | P | A | 0.7643 | |
| 225 | V | A | 1.6759 | |
| 226 | M | A | 1.4070 | |
| 227 | S | A | 0.7499 | |
| 228 | S | A | 0.3570 | |
| 229 | I | A | 1.1413 | |
| 230 | K | A | -0.5176 | |
| 231 | L | A | 0.5801 | |
| 232 | Q | A | -0.8080 | |
| 233 | T | A | -0.7499 | |
| 234 | S | A | -1.0387 | |
| 235 | P | A | -1.3080 | |
| 236 | H | A | -2.0703 | |
| 237 | Q | A | -2.4676 | |
| 238 | T | A | -1.9222 | |
| 239 | R | A | -2.1170 | |
| 240 | H | A | -0.6803 | |
| 241 | I | A | 1.5846 | |
| 242 | L | A | 1.6311 | |
| 243 | A | A | 0.3675 | |
| 244 | E | A | -1.2729 | |
| 245 | T | A | -0.8913 | |
| 246 | P | A | -0.8529 | |
| 247 | T | A | -0.6003 | |
| 248 | S | A | -0.4761 | |
| 249 | S | A | -0.5109 | |
| 250 | P | A | -0.7117 | |
| 251 | T | A | -1.2156 | |
| 252 | N | A | -2.2485 | |
| 253 | K | A | -2.7576 | |
| 254 | P | A | -2.3868 | |
| 255 | N | A | -2.5059 | |
| 256 | N | A | -2.1559 | |
| 257 | S | A | -1.2836 | |
| 258 | T | A | -0.7050 | |
| 259 | T | A | -0.7536 | |
| 260 | S | A | -1.0659 | |
| 261 | K | A | -1.8458 | |
| 262 | A | A | -1.4346 | |
| 263 | P | A | -1.5251 | |
| 264 | K | A | -2.0209 | |
| 265 | G | A | -1.3683 | |
| 266 | A | A | -1.0966 | |
| 267 | P | A | -1.2065 | |
| 268 | K | A | -2.0552 | |
| 269 | P | A | -1.8378 | |
| 270 | G | A | -1.4567 | |
| 271 | K | A | -1.5677 | |
| 272 | L | A | -0.6387 | |
| 273 | K | A | -2.5768 | |
| 274 | K | A | -3.3652 | |
| 275 | K | A | -4.3347 | |
| 276 | K | A | -4.0986 | |
| 277 | K | A | -3.9652 | |
| 278 | K | A | -4.3548 | |
| 279 | S | A | -3.4578 | |
| 280 | K | A | -4.0930 | |
| 281 | K | A | -3.9685 | |
| 282 | K | A | -3.9014 | |
| 283 | K | A | -2.7582 | |
| 284 | V | A | -0.5532 | |
| 285 | A | A | -0.0903 | |
| 286 | A | A | 0.8737 | |
| 287 | W | A | 2.7321 | |
| 288 | I | A | 3.9902 | |
| 289 | L | A | 3.8143 | |
| 290 | G | A | 3.0287 | |
| 291 | F | A | 4.0956 | |
| 292 | V | A | 3.8098 | |
| 293 | V | A | 3.5691 | |
| 294 | G | A | 1.8843 | |
| 295 | A | A | 1.9742 | |
| 296 | I | A | 2.6476 | |
| 297 | G | A | 1.3588 | |
| 298 | G | A | 0.8873 | |
| 299 | T | A | 1.6889 | |
| 300 | I | A | 3.0497 | |
| 301 | S | A | 2.0027 | |
| 302 | G | A | 2.2562 | |
| 303 | F | A | 3.8921 | |
| 304 | V | A | 3.8291 | |
| 305 | F | A | 4.0593 | |
| 306 | S | A | 2.9429 | |
| 307 | V | A | 3.0301 | |
| 308 | L | A | 3.5672 | |
| 309 | F | A | 3.3487 | |
| 310 | K | A | 1.1843 | |
| 311 | L | A | 2.0925 | |
| 312 | I | A | 2.4906 | |
| 313 | I | A | 1.6069 | |
| 314 | Q | A | -0.3942 | |
| 315 | A | A | 0.6231 | |
| 316 | I | A | 1.0783 | |
| 317 | R | A | -1.4439 | |
| 318 | G | A | -1.5318 | |
| 319 | S | A | -2.2039 | |
| 320 | E | A | -3.3858 | |
| 321 | K | A | -2.9540 | |
| 322 | P | A | -1.9871 | |
| 323 | P | A | -1.4838 | |
| 324 | G | A | -1.0606 | |
| 325 | P | A | -0.6510 | |
| 326 | S | A | 0.1639 | |
| 327 | I | A | 0.3133 | |
| 328 | F | A | 0.4828 | |
| 329 | S | A | 0.0000 | |
| 330 | P | A | -0.6044 | |
| 331 | L | A | -0.6087 | |
| 332 | I | A | 0.0000 | |
| 333 | K | A | -2.8088 | |
| 334 | K | A | -3.1073 | |
| 335 | A | A | -2.0351 | |
| 336 | E | A | -2.7488 | |
| 337 | D | A | -2.0275 | |
| 338 | L | A | 0.0000 | |
| 339 | A | A | -1.3678 | |
| 340 | F | A | -1.2053 | |
| 341 | L | A | 0.0000 | |
| 342 | E | A | -2.3767 | |
| 343 | N | A | -2.7093 | |
| 344 | E | A | -3.3404 | |
| 345 | E | A | -3.0479 | |
| 346 | A | A | -1.8232 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | -1.3526 | |
| 349 | S | A | -1.0366 | |
| 350 | L | A | -0.8316 | |
| 351 | E | A | -0.9874 | |
| 352 | I | A | 0.3597 | |
| 353 | I | A | 0.6476 | |
| 354 | G | A | -0.6670 | |
| 355 | R | A | -2.0089 | |
| 356 | G | A | -1.6469 | |
| 357 | G | A | -1.0237 | |
| 358 | C | A | -0.6357 | |
| 359 | G | A | -0.8670 | |
| 360 | E | A | -1.0227 | |
| 361 | V | A | -0.5143 | |
| 362 | F | A | 0.0000 | |
| 363 | K | A | -0.6128 | |
| 364 | A | A | 0.0000 | |
| 365 | E | A | -2.2823 | |
| 366 | L | A | 0.0000 | |
| 367 | P | A | -1.9102 | |
| 368 | G | A | -2.1245 | |
| 369 | S | A | -1.8103 | |
| 370 | N | A | -2.1338 | |
| 371 | G | A | -2.0310 | |
| 372 | K | A | -1.9444 | |
| 373 | I | A | -1.1931 | |
| 374 | I | A | 0.0000 | |
| 375 | A | A | -0.2483 | |
| 376 | V | A | 0.0000 | |
| 377 | K | A | -0.4854 | |
| 378 | K | A | -0.6551 | |
| 379 | V | A | 0.0000 | |
| 380 | I | A | 0.3086 | |
| 381 | Q | A | 0.0000 | |
| 382 | P | A | -1.1384 | |
| 383 | P | A | -2.2701 | |
| 384 | K | A | -3.3999 | |
| 385 | D | A | -3.4019 | |
| 386 | A | A | -2.6743 | |
| 387 | D | A | -3.3222 | |
| 388 | E | A | -3.2599 | |
| 389 | L | A | -2.5412 | |
| 390 | T | A | -2.4326 | |
| 391 | D | A | -3.2785 | |
| 392 | E | A | -3.2739 | |
| 393 | D | A | -2.6212 | |
| 394 | S | A | -2.4850 | |
| 395 | K | A | -2.8944 | |
| 396 | F | A | -1.4780 | |
| 397 | L | A | -1.3319 | |
| 398 | N | A | -2.6663 | |
| 399 | K | A | -2.7508 | |
| 400 | K | A | -1.9012 | |
| 401 | M | A | -2.2374 | |
| 402 | R | A | -3.2430 | |
| 403 | Q | A | -2.4238 | |
| 404 | I | A | 0.0000 | |
| 405 | R | A | -2.8004 | |
| 406 | S | A | -2.1130 | |
| 407 | E | A | 0.0000 | |
| 408 | I | A | -1.1871 | |
| 409 | N | A | -2.0589 | |
| 410 | T | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | G | A | 0.0000 | |
| 413 | H | A | -1.3610 | |
| 414 | I | A | 0.0000 | |
| 415 | R | A | -1.6299 | |
| 416 | H | A | -1.5711 | |
| 417 | R | A | -2.2294 | |
| 418 | N | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | P | A | -0.7388 | |
| 422 | L | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | A | A | 0.0000 | |
| 425 | H | A | 0.0296 | |
| 426 | V | A | 0.0000 | |
| 427 | S | A | -1.0299 | |
| 428 | R | A | -1.4965 | |
| 429 | P | A | -1.6359 | |
| 430 | E | A | -2.1132 | |
| 431 | C | A | 0.0000 | |
| 432 | H | A | 0.0000 | |
| 433 | Y | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | Y | A | 0.0000 | |
| 437 | E | A | -0.5573 | |
| 438 | Y | A | -0.8583 | |
| 439 | M | A | 0.0000 | |
| 440 | E | A | -2.9792 | |
| 441 | K | A | -2.8293 | |
| 442 | G | A | -1.6295 | |
| 443 | S | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | Q | A | -1.2911 | |
| 446 | D | A | -2.3381 | |
| 447 | I | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | T | A | -1.7854 | |
| 450 | D | A | -2.5265 | |
| 451 | V | A | 0.0000 | |
| 452 | Q | A | -2.3520 | |
| 453 | A | A | -1.6054 | |
| 454 | G | A | -2.3279 | |
| 455 | N | A | -2.6818 | |
| 456 | Q | A | -2.8722 | |
| 457 | E | A | -2.8124 | |
| 458 | L | A | 0.0000 | |
| 459 | M | A | 0.0061 | |
| 460 | W | A | 0.0000 | |
| 461 | P | A | -0.2079 | |
| 462 | A | A | 0.0000 | |
| 463 | R | A | 0.0000 | |
| 464 | H | A | -0.3142 | |
| 465 | K | A | -0.7653 | |
| 466 | I | A | 0.0000 | |
| 467 | A | A | 0.0000 | |
| 468 | L | A | -0.1736 | |
| 469 | G | A | 0.0000 | |
| 470 | I | A | 0.0000 | |
| 471 | A | A | 0.0000 | |
| 472 | A | A | -0.6005 | |
| 473 | G | A | 0.0000 | |
| 474 | L | A | 0.0000 | |
| 475 | E | A | -1.1621 | |
| 476 | Y | A | -1.2659 | |
| 477 | L | A | 0.0000 | |
| 478 | H | A | 0.0000 | |
| 479 | M | A | -1.2158 | |
| 480 | D | A | -2.2525 | |
| 481 | H | A | -1.8438 | |
| 482 | N | A | -2.4252 | |
| 483 | P | A | -2.1786 | |
| 484 | R | A | -2.2158 | |
| 485 | I | A | 0.0000 | |
| 486 | I | A | 0.0000 | |
| 487 | H | A | 0.0000 | |
| 488 | R | A | -0.4081 | |
| 489 | D | A | -0.2761 | |
| 490 | L | A | 0.0000 | |
| 491 | K | A | -0.2025 | |
| 492 | P | A | 0.0000 | |
| 493 | A | A | -0.6184 | |
| 494 | N | A | 0.0000 | |
| 495 | V | A | 0.0000 | |
| 496 | L | A | -0.7098 | |
| 497 | L | A | 0.0000 | |
| 498 | D | A | -2.5658 | |
| 499 | D | A | -3.5375 | |
| 500 | D | A | -3.0412 | |
| 501 | M | A | -1.9724 | |
| 502 | E | A | -1.6428 | |
| 503 | A | A | 0.0000 | |
| 504 | R | A | -0.6935 | |
| 505 | I | A | 0.0000 | |
| 506 | S | A | 0.0000 | |
| 507 | D | A | -0.7804 | |
| 508 | F | A | 0.0000 | |
| 509 | G | A | -1.4500 | |
| 510 | L | A | -0.9515 | |
| 511 | A | A | 0.0000 | |
| 512 | K | A | -1.3738 | |
| 513 | A | A | -1.4548 | |
| 514 | M | A | 0.0000 | |
| 515 | P | A | -1.3402 | |
| 516 | D | A | -2.0752 | |
| 517 | A | A | -0.5546 | |
| 518 | V | A | 0.0941 | |
| 519 | T | A | -0.2748 | |
| 520 | H | A | -0.5716 | |
| 521 | I | A | -0.2739 | |
| 522 | T | A | -0.4453 | |
| 523 | T | A | -0.4313 | |
| 524 | S | A | -0.5535 | |
| 525 | H | A | -0.6070 | |
| 526 | V | A | 0.0151 | |
| 527 | A | A | 0.2210 | |
| 528 | G | A | 0.2019 | |
| 529 | T | A | 0.2820 | |
| 530 | V | A | 0.8462 | |
| 531 | G | A | 0.3104 | |
| 532 | Y | A | 0.0000 | |
| 533 | I | A | 0.6117 | |
| 534 | A | A | 0.0000 | |
| 535 | P | A | -0.4467 | |
| 536 | E | A | -0.7397 | |
| 537 | F | A | 0.0000 | |
| 538 | Y | A | 0.1990 | |
| 539 | Q | A | -0.2892 | |
| 540 | T | A | -0.2937 | |
| 541 | H | A | 0.0000 | |
| 542 | K | A | -0.8513 | |
| 543 | F | A | 0.0000 | |
| 544 | T | A | -0.5520 | |
| 545 | D | A | 0.0000 | |
| 546 | K | A | -0.8464 | |
| 547 | C | A | 0.0000 | |
| 548 | D | A | 0.0000 | |
| 549 | I | A | 0.0000 | |
| 550 | Y | A | 0.1024 | |
| 551 | S | A | 0.0000 | |
| 552 | F | A | 0.0000 | |
| 553 | G | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | I | A | 0.0000 | |
| 556 | L | A | 0.0000 | |
| 557 | G | A | 0.0000 | |
| 558 | I | A | 0.0000 | |
| 559 | L | A | 0.0000 | |
| 560 | V | A | 0.0000 | |
| 561 | I | A | 0.0000 | |
| 562 | G | A | -0.6187 | |
| 563 | K | A | -0.6819 | |
| 564 | L | A | -0.4692 | |
| 565 | P | A | -0.2152 | |
| 566 | S | A | -0.7266 | |
| 567 | D | A | -1.3172 | |
| 568 | E | A | -2.1088 | |
| 569 | F | A | -0.7032 | |
| 570 | F | A | 0.0000 | |
| 571 | Q | A | -1.8966 | |
| 572 | H | A | -1.9541 | |
| 573 | T | A | -1.6548 | |
| 574 | D | A | -2.2195 | |
| 575 | E | A | -1.5794 | |
| 576 | M | A | -0.6307 | |
| 577 | S | A | -0.7133 | |
| 578 | L | A | 0.0000 | |
| 579 | I | A | -0.7656 | |
| 580 | K | A | -2.0876 | |
| 581 | W | A | 0.0000 | |
| 582 | M | A | 0.0000 | |
| 583 | R | A | -1.4608 | |
| 584 | N | A | -1.7745 | |
| 585 | I | A | -0.9084 | |
| 586 | I | A | -0.5742 | |
| 587 | T | A | -1.1213 | |
| 588 | S | A | -1.4317 | |
| 589 | E | A | -2.2278 | |
| 590 | N | A | -1.6662 | |
| 591 | P | A | -0.8360 | |
| 592 | S | A | -0.4274 | |
| 593 | L | A | 1.0146 | |
| 594 | A | A | 0.0000 | |
| 595 | I | A | 0.0000 | |
| 596 | D | A | 0.0000 | |
| 597 | P | A | -0.6298 | |
| 598 | K | A | -1.6605 | |
| 599 | L | A | 0.0000 | |
| 600 | M | A | -1.2490 | |
| 601 | D | A | -2.3055 | |
| 602 | Q | A | -1.5422 | |
| 603 | G | A | -1.8759 | |
| 604 | F | A | -1.9350 | |
| 605 | D | A | -2.7514 | |
| 606 | E | A | -2.4707 | |
| 607 | Q | A | 0.0000 | |
| 608 | M | A | 0.0000 | |
| 609 | L | A | -0.6987 | |
| 610 | L | A | -0.1609 | |
| 611 | V | A | 0.0000 | |
| 612 | L | A | 0.0000 | |
| 613 | K | A | -0.3255 | |
| 614 | I | A | 0.0000 | |
| 615 | A | A | 0.0000 | |
| 616 | C | A | -0.0001 | |
| 617 | Y | A | 0.4325 | |
| 618 | C | A | 0.0000 | |
| 619 | T | A | 0.0000 | |
| 620 | L | A | -0.7336 | |
| 621 | D | A | -2.0828 | |
| 622 | D | A | -2.0719 | |
| 623 | P | A | -1.8016 | |
| 624 | K | A | -2.6800 | |
| 625 | Q | A | -2.2273 | |
| 626 | R | A | 0.0000 | |
| 627 | P | A | -1.0106 | |
| 628 | N | A | -1.4611 | |
| 629 | S | A | 0.0000 | |
| 630 | K | A | -1.9437 | |
| 631 | D | A | -1.6418 | |
| 632 | V | A | 0.0000 | |
| 633 | R | A | -1.3212 | |
| 634 | T | A | -1.1111 | |
| 635 | M | A | -0.5793 | |
| 636 | L | A | 0.0000 | |
| 637 | S | A | -1.1258 | |
| 638 | Q | A | -1.7358 | |
| 639 | I | A | -1.4717 | |
| 640 | K | A | -2.4082 | |
| 641 | H | A | -2.1083 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.5053 | 7.8772 | View | CSV | PDB |
| 4.5 | -0.5605 | 7.8772 | View | CSV | PDB |
| 5.0 | -0.6252 | 7.8772 | View | CSV | PDB |
| 5.5 | -0.6844 | 7.8772 | View | CSV | PDB |
| 6.0 | -0.7217 | 7.8772 | View | CSV | PDB |
| 6.5 | -0.728 | 7.8772 | View | CSV | PDB |
| 7.0 | -0.7064 | 7.8772 | View | CSV | PDB |
| 7.5 | -0.6669 | 7.8772 | View | CSV | PDB |
| 8.0 | -0.6175 | 7.8772 | View | CSV | PDB |
| 8.5 | -0.5604 | 7.8772 | View | CSV | PDB |
| 9.0 | -0.495 | 7.8772 | 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