| Chain sequence(s) |
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
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] (00:00:04)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:04)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:04)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:04)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:27)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a1421cfdd96715/tmp/folded.pdb (00:03:27)
[INFO] Main: Simulation completed successfully. (00:08:42)
|
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 | 0.6540 | |
| 2 | A | A | -0.3167 | |
| 3 | Y | A | -0.3793 | |
| 4 | T | A | -0.4034 | |
| 5 | T | A | -0.2852 | |
| 6 | A | A | -0.4332 | |
| 7 | Q | A | -0.8227 | |
| 8 | L | A | 0.0000 | |
| 9 | V | A | -0.1172 | |
| 10 | T | A | -0.7870 | |
| 11 | A | A | 0.0000 | |
| 12 | Y | A | 0.0000 | |
| 13 | T | A | -0.7484 | |
| 14 | N | A | -1.1672 | |
| 15 | A | A | 0.0000 | |
| 16 | N | A | 0.0000 | |
| 17 | L | A | -0.7010 | |
| 18 | G | A | -1.1689 | |
| 19 | K | A | -1.4087 | |
| 20 | A | A | -0.7584 | |
| 21 | P | A | -0.7493 | |
| 22 | D | A | -1.6238 | |
| 23 | A | A | -0.3943 | |
| 24 | A | A | -0.0374 | |
| 25 | T | A | -0.0942 | |
| 26 | T | A | 0.1077 | |
| 27 | L | A | 0.9962 | |
| 28 | T | A | 0.3215 | |
| 29 | L | A | 0.0000 | |
| 30 | D | A | -0.2943 | |
| 31 | A | A | -0.1305 | |
| 32 | Y | A | -0.2707 | |
| 33 | A | A | 0.0000 | |
| 34 | T | A | -0.8270 | |
| 35 | Q | A | -1.0103 | |
| 36 | T | A | 0.0000 | |
| 37 | Q | A | -1.4106 | |
| 38 | T | A | -0.9815 | |
| 39 | G | A | -1.1975 | |
| 40 | G | A | 0.0000 | |
| 41 | L | A | -0.6206 | |
| 42 | S | A | -0.7529 | |
| 43 | D | A | -1.1033 | |
| 44 | A | A | -0.5065 | |
| 45 | A | A | -0.3470 | |
| 46 | A | A | 0.0000 | |
| 47 | L | A | -0.5518 | |
| 48 | T | A | -0.6737 | |
| 49 | N | A | -0.5266 | |
| 50 | T | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | K | A | -1.1216 | |
| 53 | L | A | -0.2908 | |
| 54 | V | A | 0.0000 | |
| 55 | N | A | -0.2655 | |
| 56 | S | A | -0.5324 | |
| 57 | T | A | 0.0000 | |
| 58 | T | A | 0.0000 | |
| 59 | A | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | A | A | 0.0000 | |
| 62 | I | A | 0.0000 | |
| 63 | Q | A | 0.0000 | |
| 64 | T | A | 0.0000 | |
| 65 | Y | A | 0.3612 | |
| 66 | Q | A | 0.0000 | |
| 67 | F | A | 0.1790 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | 0.1085 | |
| 70 | G | A | -0.4051 | |
| 71 | V | A | -0.0300 | |
| 72 | A | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | S | A | -0.8248 | |
| 75 | A | A | -0.6362 | |
| 76 | A | A | -0.2773 | |
| 77 | G | A | 0.0264 | |
| 78 | L | A | 0.0000 | |
| 79 | D | A | -0.7364 | |
| 80 | F | A | 0.7457 | |
| 81 | L | A | 0.1109 | |
| 82 | V | A | 0.0000 | |
| 83 | D | A | -1.1208 | |
| 84 | S | A | -0.5549 | |
| 85 | T | A | -0.3605 | |
| 86 | T | A | -0.2152 | |
| 87 | N | A | -0.4661 | |
| 88 | T | A | -0.6175 | |
| 89 | N | A | -1.0198 | |
| 90 | D | A | 0.0000 | |
| 91 | L | A | 0.0000 | |
| 92 | N | A | -0.8853 | |
| 93 | D | A | -1.1827 | |
| 94 | A | A | -0.6506 | |
| 95 | Y | A | -0.4877 | |
| 96 | Y | A | 0.0000 | |
| 97 | S | A | -1.0562 | |
| 98 | K | A | -1.7366 | |
| 99 | F | A | -0.9285 | |
| 100 | A | A | -0.7353 | |
| 101 | Q | A | -0.7341 | |
| 102 | E | A | -0.7536 | |
| 103 | N | A | -0.9285 | |
| 104 | R | A | -0.8198 | |
| 105 | F | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | N | A | 0.0000 | |
| 108 | F | A | 0.0000 | |
| 109 | S | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | N | A | -0.9901 | |
| 112 | L | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | T | A | 0.0000 | |
| 115 | G | A | -0.7854 | |
| 116 | A | A | -0.3550 | |
| 117 | G | A | -0.4257 | |
| 118 | A | A | -0.1187 | |
| 119 | G | A | 0.0000 | |
| 120 | A | A | -0.2203 | |
| 121 | T | A | -0.0696 | |
| 122 | A | A | 0.0635 | |
| 123 | F | A | 0.0000 | |
| 124 | A | A | -0.0632 | |
| 125 | A | A | 0.0592 | |
| 126 | A | A | 0.1568 | |
| 127 | Y | A | 0.0476 | |
| 128 | T | A | -0.1993 | |
| 129 | G | A | -0.2419 | |
| 130 | V | A | -0.0220 | |
| 131 | S | A | -0.2882 | |
| 132 | Y | A | -0.3431 | |
| 133 | A | A | -0.2907 | |
| 134 | Q | A | -0.9668 | |
| 135 | T | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | A | A | -0.7706 | |
| 138 | T | A | -0.9558 | |
| 139 | A | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | D | A | -1.7492 | |
| 142 | K | A | -1.4270 | |
| 143 | I | A | 0.0000 | |
| 144 | I | A | 0.0000 | |
| 145 | G | A | 0.0000 | |
| 146 | N | A | -1.4956 | |
| 147 | A | A | -0.4645 | |
| 148 | V | A | -0.0900 | |
| 149 | A | A | 0.0000 | |
| 150 | T | A | -0.5034 | |
| 151 | A | A | -0.1443 | |
| 152 | A | A | -0.1497 | |
| 153 | G | A | -0.5593 | |
| 154 | V | A | -0.5202 | |
| 155 | D | A | -1.5853 | |
| 156 | V | A | -0.5276 | |
| 157 | A | A | -0.0395 | |
| 158 | A | A | 0.2021 | |
| 159 | A | A | 0.3766 | |
| 160 | V | A | 0.2352 | |
| 161 | A | A | 0.4500 | |
| 162 | F | A | 1.2399 | |
| 163 | L | A | 0.0000 | |
| 164 | S | A | -0.3579 | |
| 165 | R | A | -1.3233 | |
| 166 | Q | A | -1.8327 | |
| 167 | A | A | -1.0696 | |
| 168 | N | A | -0.7532 | |
| 169 | I | A | 0.0000 | |
| 170 | D | A | -1.7345 | |
| 171 | Y | A | -0.1098 | |
| 172 | L | A | 0.0000 | |
| 173 | T | A | -0.7928 | |
| 174 | A | A | -0.7362 | |
| 175 | F | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | R | A | -1.8208 | |
| 178 | A | A | -1.1132 | |
| 179 | N | A | -1.1236 | |
| 180 | T | A | -1.0561 | |
| 181 | P | A | -0.7498 | |
| 182 | F | A | -0.6386 | |
| 183 | T | A | -0.4062 | |
| 184 | A | A | -0.1887 | |
| 185 | A | A | -0.1735 | |
| 186 | A | A | -0.4515 | |
| 187 | D | A | -0.9386 | |
| 188 | I | A | -0.6508 | |
| 189 | D | A | -0.4525 | |
| 190 | L | A | -0.2410 | |
| 191 | A | A | 0.0000 | |
| 192 | V | A | 0.0000 | |
| 193 | K | A | 0.0000 | |
| 194 | A | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | G | A | 0.0000 | |
| 199 | T | A | -0.3171 | |
| 200 | I | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | N | A | -0.0671 | |
| 203 | A | A | 0.3843 | |
| 204 | A | A | 0.0000 | |
| 205 | T | A | 0.3510 | |
| 206 | V | A | 1.2565 | |
| 207 | S | A | 0.5474 | |
| 208 | G | A | 0.0177 | |
| 209 | I | A | 0.4703 | |
| 210 | G | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | T | A | -0.0733 | |
| 215 | A | A | 0.0000 | |
| 216 | T | A | 0.0000 | |
| 217 | A | A | -0.5222 | |
| 218 | A | A | -0.3556 | |
| 219 | M | A | 0.0000 | |
| 220 | I | A | 0.0000 | |
| 221 | N | A | -1.4866 | |
| 222 | D | A | -1.3037 | |
| 223 | L | A | 0.0000 | |
| 224 | S | A | -1.4709 | |
| 225 | D | A | -2.3440 | |
| 226 | G | A | -1.6152 | |
| 227 | A | A | -1.1339 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | -1.0640 | |
| 230 | T | A | -1.1890 | |
| 231 | D | A | -2.0538 | |
| 232 | N | A | -1.9958 | |
| 233 | A | A | -0.8234 | |
| 234 | A | A | -0.5715 | |
| 235 | G | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | N | A | -1.1042 | |
| 238 | L | A | 0.0000 | |
| 239 | F | A | -0.2078 | |
| 240 | T | A | -0.3396 | |
| 241 | A | A | -0.3371 | |
| 242 | Y | A | -0.0550 | |
| 243 | P | A | -0.3083 | |
| 244 | S | A | -0.3012 | |
| 245 | S | A | -0.4050 | |
| 246 | G | A | -0.8322 | |
| 247 | V | A | -0.7559 | |
| 248 | S | A | -0.7968 | |
| 249 | G | A | -0.9934 | |
| 250 | S | A | -0.9015 | |
| 251 | G | A | -1.1670 | |
| 252 | G | A | -1.1560 | |
| 253 | S | A | -0.9260 | |
| 254 | G | A | -1.0918 | |
| 255 | G | A | -1.1251 | |
| 256 | G | A | -1.2210 | |
| 257 | S | A | -1.0252 | |
| 258 | G | A | -1.5183 | |
| 259 | D | A | -2.1579 | |
| 260 | Y | A | -1.2219 | |
| 261 | K | A | -2.9447 | |
| 262 | D | A | -3.9921 | |
| 263 | D | A | -4.1351 | |
| 264 | D | A | -4.4700 | |
| 265 | D | A | -4.3235 | |
| 266 | K | A | -2.8565 | |
| 267 | G | A | -1.3077 | |
| 268 | V | A | 1.2669 | |
| 269 | G | A | 0.9862 | |
| 270 | V | A | 1.8837 | |
| 271 | P | A | 0.7548 | |
| 272 | G | A | 0.7494 | |
| 273 | V | A | 1.7821 | |
| 274 | G | A | 1.1704 | |
| 275 | V | A | 1.6920 | |
| 276 | P | A | 0.2996 | |
| 277 | G | A | -0.4421 | |
| 278 | G | A | -0.6358 | |
| 279 | G | A | -0.0905 | |
| 280 | V | A | 1.1618 | |
| 281 | P | A | 0.4254 | |
| 282 | G | A | -0.2771 | |
| 283 | A | A | -0.0510 | |
| 284 | G | A | 0.3714 | |
| 285 | V | A | 1.2959 | |
| 286 | P | A | 0.7556 | |
| 287 | G | A | 0.6662 | |
| 288 | V | A | 1.5774 | |
| 289 | G | A | 1.0618 | |
| 290 | V | A | 1.6598 | |
| 291 | P | A | 0.7377 | |
| 292 | G | A | 0.5270 | |
| 293 | V | A | 1.6761 | |
| 294 | G | A | 1.0548 | |
| 295 | V | A | 1.7452 | |
| 296 | P | A | 0.5918 | |
| 297 | G | A | 0.5030 | |
| 298 | V | A | 1.6663 | |
| 299 | G | A | 1.0536 | |
| 300 | V | A | 1.7329 | |
| 301 | P | A | 0.1739 | |
| 302 | G | A | -0.5803 | |
| 303 | G | A | -0.5931 | |
| 304 | G | A | 0.0113 | |
| 305 | V | A | 1.2365 | |
| 306 | P | A | 0.3097 | |
| 307 | G | A | -0.3149 | |
| 308 | A | A | -0.0613 | |
| 309 | G | A | 0.2525 | |
| 310 | V | A | 1.3211 | |
| 311 | P | A | 0.2974 | |
| 312 | G | A | -0.5310 | |
| 313 | G | A | -0.6045 | |
| 314 | G | A | 0.0111 | |
| 315 | V | A | 1.2049 | |
| 316 | P | A | 0.7240 | |
| 317 | G | A | 0.5920 | |
| 318 | V | A | 1.6544 | |
| 319 | G | A | 1.0889 | |
| 320 | V | A | 1.6912 | |
| 321 | P | A | 0.6661 | |
| 322 | G | A | 0.5817 | |
| 323 | V | A | 1.6425 | |
| 324 | G | A | 1.0715 | |
| 325 | V | A | 1.6538 | |
| 326 | P | A | 0.4990 | |
| 327 | G | A | -0.5682 | |
| 328 | G | A | -0.4935 | |
| 329 | G | A | -0.0023 | |
| 330 | V | A | 1.2272 | |
| 331 | P | A | 0.4057 | |
| 332 | G | A | -0.2898 | |
| 333 | A | A | -0.0632 | |
| 334 | G | A | 0.3365 | |
| 335 | V | A | 1.3067 | |
| 336 | P | A | 0.7626 | |
| 337 | G | A | 0.6671 | |
| 338 | V | A | 1.5825 | |
| 339 | G | A | 1.0529 | |
| 340 | V | A | 1.8216 | |
| 341 | P | A | 0.7363 | |
| 342 | G | A | 0.6437 | |
| 343 | V | A | 1.7569 | |
| 344 | G | A | 1.1672 | |
| 345 | V | A | 1.6827 | |
| 346 | P | A | 0.7028 | |
| 347 | G | A | 0.5365 | |
| 348 | V | A | 1.6126 | |
| 349 | G | A | 1.0701 | |
| 350 | V | A | 1.6483 | |
| 351 | P | A | 0.3104 | |
| 352 | G | A | -0.5199 | |
| 353 | G | A | -0.6175 | |
| 354 | G | A | 0.0089 | |
| 355 | V | A | 1.2047 | |
| 356 | P | A | 0.3343 | |
| 357 | G | A | -0.0395 | |
| 358 | A | A | 0.1372 | |
| 359 | G | A | 0.3331 | |
| 360 | V | A | 1.2238 | |
| 361 | P | A | 0.1666 | |
| 362 | G | A | -0.6184 | |
| 363 | G | A | -0.4714 | |
| 364 | G | A | 0.0028 | |
| 365 | V | A | 1.2136 | |
| 366 | P | A | 0.7966 | |
| 367 | G | A | 0.6556 | |
| 368 | V | A | 1.5608 | |
| 369 | G | A | 1.0584 | |
| 370 | V | A | 1.6339 | |
| 371 | P | A | 0.7095 | |
| 372 | G | A | 0.5314 | |
| 373 | V | A | 1.6480 | |
| 374 | G | A | 1.0768 | |
| 375 | V | A | 1.6398 | |
| 376 | P | A | 0.2399 | |
| 377 | G | A | -0.4050 | |
| 378 | G | A | -0.4699 | |
| 379 | G | A | 0.1629 | |
| 380 | V | A | 1.1459 | |
| 381 | P | A | 0.2108 | |
| 382 | G | A | -0.3207 | |
| 383 | A | A | -0.1158 | |
| 384 | G | A | 0.2013 | |
| 385 | V | A | 1.3466 | |
| 386 | P | A | 0.6186 | |
| 387 | G | A | 0.4705 | |
| 388 | V | A | 1.6687 | |
| 389 | G | A | 1.0273 | |
| 390 | V | A | 1.7231 | |
| 391 | P | A | 0.6119 | |
| 392 | G | A | 0.4862 | |
| 393 | V | A | 1.6497 | |
| 394 | G | A | 1.0944 | |
| 395 | V | A | 1.7091 | |
| 396 | P | A | 0.6246 | |
| 397 | G | A | 0.5000 | |
| 398 | V | A | 1.6359 | |
| 399 | G | A | 1.0766 | |
| 400 | V | A | 1.6870 | |
| 401 | P | A | 0.2441 | |
| 402 | G | A | -0.5581 | |
| 403 | G | A | -0.5916 | |
| 404 | G | A | 0.0032 | |
| 405 | V | A | 1.2194 | |
| 406 | P | A | 0.3692 | |
| 407 | G | A | -0.0772 | |
| 408 | A | A | 0.0705 | |
| 409 | G | A | 0.2476 | |
| 410 | V | A | 1.2803 | |
| 411 | P | A | 0.2798 | |
| 412 | G | A | -0.5368 | |
| 413 | G | A | -0.6273 | |
| 414 | G | A | 0.0097 | |
| 415 | V | A | 1.2120 | |
| 416 | P | A | 0.7548 | |
| 417 | G | A | 0.5630 | |
| 418 | V | A | 1.6078 | |
| 419 | G | A | 1.0578 | |
| 420 | V | A | 1.6772 | |
| 421 | P | A | 0.5897 | |
| 422 | G | A | 0.7889 | |
| 423 | V | A | 1.5830 | |
| 424 | G | A | 1.1434 | |
| 425 | V | A | 1.6453 | |
| 426 | P | A | 0.2589 | |
| 427 | G | A | -0.4250 | |
| 428 | G | A | -0.6757 | |
| 429 | G | A | -0.0906 | |
| 430 | V | A | 1.1914 | |
| 431 | P | A | 0.2884 | |
| 432 | G | A | -0.3180 | |
| 433 | A | A | -0.0372 | |
| 434 | G | A | 0.2523 | |
| 435 | V | A | 1.3202 | |
| 436 | P | A | 0.8058 | |
| 437 | G | A | 0.5464 | |
| 438 | V | A | 1.6384 | |
| 439 | G | A | 1.0610 | |
| 440 | V | A | 1.6817 | |
| 441 | P | A | 0.7534 | |
| 442 | G | A | 0.5206 | |
| 443 | V | A | 1.6407 | |
| 444 | G | A | 1.0588 | |
| 445 | V | A | 1.6776 | |
| 446 | P | A | 0.7276 | |
| 447 | G | A | 0.5448 | |
| 448 | V | A | 1.6575 | |
| 449 | G | A | 1.0658 | |
| 450 | V | A | 1.6889 | |
| 451 | P | A | 0.2938 | |
| 452 | G | A | -0.5199 | |
| 453 | G | A | -0.5643 | |
| 454 | G | A | 0.0054 | |
| 455 | V | A | 1.2290 | |
| 456 | P | A | 0.3301 | |
| 457 | G | A | -0.3290 | |
| 458 | A | A | -0.1265 | |
| 459 | G | A | 0.2398 | |
| 460 | V | A | 1.3241 | |
| 461 | P | A | 0.2912 | |
| 462 | G | A | -0.5296 | |
| 463 | G | A | -0.6175 | |
| 464 | G | A | 0.0093 | |
| 465 | V | A | 1.2171 | |
| 466 | P | A | 0.7609 | |
| 467 | G | A | 0.6908 | |
| 468 | V | A | 1.5809 | |
| 469 | G | A | 1.0521 | |
| 470 | V | A | 1.6374 | |
| 471 | P | A | 0.7532 | |
| 472 | G | A | 0.5820 | |
| 473 | V | A | 1.6528 | |
| 474 | G | A | 1.2984 | |
| 475 | V | A | 1.7127 | |
| 476 | P | A | 0.1645 | |
| 477 | G | A | -0.5791 | |
| 478 | G | A | -0.6032 | |
| 479 | G | A | 0.0057 | |
| 480 | V | A | 1.2189 | |
| 481 | P | A | 0.4206 | |
| 482 | G | A | -0.2857 | |
| 483 | A | A | -0.0585 | |
| 484 | G | A | 0.2056 | |
| 485 | V | A | 1.3426 | |
| 486 | P | A | 0.6629 | |
| 487 | G | A | 0.4953 | |
| 488 | V | A | 1.5977 | |
| 489 | G | A | 1.1286 | |
| 490 | V | A | 1.6726 | |
| 491 | P | A | 0.5974 | |
| 492 | G | A | 0.4976 | |
| 493 | V | A | 1.6264 | |
| 494 | G | A | 1.1301 | |
| 495 | V | A | 1.8335 | |
| 496 | P | A | 0.8284 | |
| 497 | G | A | 0.5800 | |
| 498 | V | A | 1.8187 | |
| 499 | G | A | 1.0746 | |
| 500 | V | A | 1.5935 | |
| 501 | P | A | 0.2256 | |
| 502 | G | A | -0.5195 | |
| 503 | G | A | -0.4115 | |
| 504 | G | A | 0.0731 | |
| 505 | V | A | 1.1871 | |
| 506 | P | A | 0.2876 | |
| 507 | G | A | -0.3473 | |
| 508 | A | A | -0.0643 | |
| 509 | G | A | 0.3418 | |
| 510 | V | A | 1.3005 | |
| 511 | P | A | 0.3191 | |
| 512 | G | A | -0.5962 | |
| 513 | G | A | -0.6753 | |
| 514 | G | A | -0.0647 | |
| 515 | V | A | 1.2144 | |
| 516 | P | A | 0.7893 | |
| 517 | G | A | 0.8676 | |
| 518 | V | A | 1.6153 | |
| 519 | G | A | 1.1521 | |
| 520 | V | A | 1.7870 | |
| 521 | P | A | 0.7757 | |
| 522 | G | A | 0.8654 | |
| 523 | V | A | 1.7929 | |
| 524 | G | A | 1.2498 | |
| 525 | V | A | 1.6350 | |
| 526 | P | A | 0.1545 | |
| 527 | G | A | -0.6321 | |
| 528 | G | A | -0.6401 | |
| 529 | G | A | 0.1642 | |
| 530 | V | A | 1.1953 | |
| 531 | P | A | 0.2656 | |
| 532 | G | A | -0.1033 | |
| 533 | A | A | -0.0981 | |
| 534 | G | A | 0.3361 | |
| 535 | V | A | 1.2150 | |
| 536 | P | A | 0.7861 | |
| 537 | G | A | 0.6978 | |
| 538 | V | A | 1.6607 | |
| 539 | G | A | 1.0592 | |
| 540 | V | A | 1.6689 | |
| 541 | P | A | 0.9204 | |
| 542 | G | A | 0.5886 | |
| 543 | V | A | 1.6592 | |
| 544 | G | A | 1.0155 | |
| 545 | V | A | 1.6750 | |
| 546 | P | A | 0.7384 | |
| 547 | G | A | 0.5454 | |
| 548 | V | A | 1.6239 | |
| 549 | G | A | 1.0279 | |
| 550 | V | A | 1.6843 | |
| 551 | P | A | 0.1840 | |
| 552 | G | A | -0.6760 | |
| 553 | G | A | -0.6566 | |
| 554 | G | A | -0.0099 | |
| 555 | V | A | 1.2163 | |
| 556 | P | A | 0.3711 | |
| 557 | G | A | -0.0861 | |
| 558 | A | A | 0.0384 | |
| 559 | G | A | 0.2851 | |
| 560 | V | A | 1.2320 | |
| 561 | P | A | 0.3127 | |
| 562 | G | A | -0.5043 | |
| 563 | G | A | -0.6320 | |
| 564 | G | A | -0.0640 | |
| 565 | V | A | 1.1373 | |
| 566 | P | A | 0.3398 | |
| 567 | G | A | -0.4869 | |
| 568 | G | A | -0.8357 | |
| 569 | S | A | -0.9373 | |
| 570 | G | A | -1.1263 | |
| 571 | G | A | -1.1497 | |
| 572 | G | A | -1.0665 | |
| 573 | S | A | -0.9349 | |
| 574 | G | A | -0.9995 | |
| 575 | A | A | -0.7044 | |
| 576 | H | A | -0.7455 | |
| 577 | I | A | 0.2821 | |
| 578 | V | A | 0.4526 | |
| 579 | M | A | 0.0994 | |
| 580 | V | A | -0.2896 | |
| 581 | D | A | -1.4105 | |
| 582 | A | A | -0.5339 | |
| 583 | Y | A | -0.0235 | |
| 584 | K | A | -1.5887 | |
| 585 | P | A | -1.3197 | |
| 586 | T | A | -1.4412 | |
| 587 | K | A | -2.3939 | |
| 588 | G | A | -1.6668 | |
| 589 | G | A | -1.4917 | |
| 590 | S | A | -1.0659 | |
| 591 | G | A | -1.1169 | |
| 592 | G | A | -1.0614 | |
| 593 | G | A | -1.0662 | |
| 594 | S | A | -0.9072 | |
| 595 | G | A | -1.0038 | |
| 596 | G | A | -1.0545 | |
| 597 | G | A | -0.9912 | |
| 598 | S | A | -0.8669 | |
| 599 | G | A | -1.0427 | |
| 600 | G | A | -1.0557 | |
| 601 | G | A | -0.9915 | |
| 602 | S | A | -0.8620 | |
| 603 | G | A | -1.0404 | |
| 604 | G | A | -1.0587 | |
| 605 | G | A | -0.9979 | |
| 606 | S | A | -0.8709 | |
| 607 | G | A | -0.9892 | |
| 608 | G | A | -1.0765 | |
| 609 | G | A | -1.0599 | |
| 610 | S | A | -0.9548 | |
| 611 | G | A | -1.1375 | |
| 612 | G | A | -1.1431 | |
| 613 | G | A | -1.1394 | |
| 614 | S | A | -1.1120 | |
| 615 | G | A | -1.3809 | |
| 616 | G | A | -1.1526 | |
| 617 | G | A | -1.2446 | |
| 618 | S | A | -0.8024 | |
| 619 | G | A | -1.0849 | |
| 620 | A | A | -0.8468 | |
| 621 | D | A | -1.1195 | |
| 622 | P | A | -0.4305 | |
| 623 | A | A | 0.0425 | |
| 624 | F | A | 1.1890 | |
| 625 | G | A | -0.0586 | |
| 626 | G | A | -0.3197 | |
| 627 | F | A | -0.0479 | |
| 628 | E | A | -1.0951 | |
| 629 | T | A | 0.0000 | |
| 630 | L | A | 0.0000 | |
| 631 | R | A | -0.4535 | |
| 632 | V | A | 0.0000 | |
| 633 | A | A | -0.6035 | |
| 634 | G | A | -0.6496 | |
| 635 | A | A | -0.4716 | |
| 636 | A | A | -0.5651 | |
| 637 | A | A | 0.0000 | |
| 638 | Q | A | -1.4786 | |
| 639 | G | A | -1.1313 | |
| 640 | S | A | -0.9612 | |
| 641 | H | A | 0.0000 | |
| 642 | N | A | -1.1177 | |
| 643 | A | A | 0.0000 | |
| 644 | N | A | -1.7204 | |
| 645 | G | A | -1.1479 | |
| 646 | F | A | -0.7417 | |
| 647 | T | A | -0.5185 | |
| 648 | A | A | -0.4292 | |
| 649 | L | A | 0.0000 | |
| 650 | Q | A | -0.1600 | |
| 651 | L | A | 0.0000 | |
| 652 | G | A | 0.0002 | |
| 653 | A | A | 0.0901 | |
| 654 | T | A | 0.0000 | |
| 655 | A | A | -0.2720 | |
| 656 | G | A | -0.4938 | |
| 657 | A | A | -0.4886 | |
| 658 | T | A | 0.0000 | |
| 659 | T | A | -0.4496 | |
| 660 | F | A | 0.0000 | |
| 661 | T | A | -0.6659 | |
| 662 | N | A | -1.0464 | |
| 663 | V | A | 0.0000 | |
| 664 | A | A | -0.1424 | |
| 665 | V | A | 0.9571 | |
| 666 | N | A | -0.4036 | |
| 667 | V | A | 0.0000 | |
| 668 | G | A | -0.3888 | |
| 669 | L | A | 0.0000 | |
| 670 | T | A | -0.1415 | |
| 671 | V | A | 0.0000 | |
| 672 | L | A | 0.3779 | |
| 673 | A | A | 0.2225 | |
| 674 | A | A | 0.1012 | |
| 675 | P | A | 0.0000 | |
| 676 | T | A | -0.2490 | |
| 677 | G | A | -0.3442 | |
| 678 | T | A | -0.2141 | |
| 679 | T | A | 0.0000 | |
| 680 | T | A | -0.1633 | |
| 681 | V | A | 0.0000 | |
| 682 | T | A | -0.3463 | |
| 683 | L | A | -0.3459 | |
| 684 | A | A | -0.6987 | |
| 685 | N | A | -1.0851 | |
| 686 | A | A | -0.4938 | |
| 687 | T | A | -0.6479 | |
| 688 | G | A | -0.7560 | |
| 689 | T | A | -0.6699 | |
| 690 | S | A | -0.4556 | |
| 691 | D | A | -0.0947 | |
| 692 | V | A | 0.6091 | |
| 693 | F | A | 0.0000 | |
| 694 | N | A | -0.5858 | |
| 695 | L | A | 0.0000 | |
| 696 | T | A | -0.2232 | |
| 697 | L | A | 0.0000 | |
| 698 | S | A | 0.0655 | |
| 699 | S | A | 0.0000 | |
| 700 | S | A | -0.3781 | |
| 701 | A | A | -0.0949 | |
| 702 | A | A | 0.1458 | |
| 703 | L | A | 0.0000 | |
| 704 | A | A | 0.0526 | |
| 705 | A | A | 0.0000 | |
| 706 | G | A | -0.2193 | |
| 707 | T | A | -0.2852 | |
| 708 | V | A | 0.0000 | |
| 709 | A | A | 0.0000 | |
| 710 | L | A | 0.0000 | |
| 711 | A | A | -0.1908 | |
| 712 | G | A | -0.3470 | |
| 713 | V | A | 0.0000 | |
| 714 | E | A | -0.7932 | |
| 715 | T | A | -0.4069 | |
| 716 | V | A | 0.0000 | |
| 717 | N | A | -0.2646 | |
| 718 | I | A | 0.0000 | |
| 719 | A | A | -0.2237 | |
| 720 | A | A | 0.0000 | |
| 721 | T | A | -0.3805 | |
| 722 | D | A | 0.0000 | |
| 723 | T | A | -0.5426 | |
| 724 | N | A | -0.8404 | |
| 725 | T | A | -0.5224 | |
| 726 | T | A | -0.4014 | |
| 727 | A | A | -0.3767 | |
| 728 | H | A | -0.1625 | |
| 729 | V | A | 0.1470 | |
| 730 | D | A | 0.0000 | |
| 731 | T | A | -0.1584 | |
| 732 | L | A | 0.0000 | |
| 733 | T | A | -0.3721 | |
| 734 | L | A | 0.0000 | |
| 735 | Q | A | -0.8262 | |
| 736 | A | A | 0.0000 | |
| 737 | T | A | -0.7010 | |
| 738 | S | A | -0.8062 | |
| 739 | A | A | 0.0000 | |
| 740 | K | A | -1.8689 | |
| 741 | S | A | -0.8256 | |
| 742 | I | A | 0.0000 | |
| 743 | V | A | 0.1766 | |
| 744 | V | A | 0.0000 | |
| 745 | T | A | -0.1847 | |
| 746 | G | A | -0.4018 | |
| 747 | N | A | -0.9146 | |
| 748 | A | A | 0.0000 | |
| 749 | G | A | 0.0000 | |
| 750 | L | A | 0.0000 | |
| 751 | N | A | -0.3056 | |
| 752 | L | A | 0.0000 | |
| 753 | T | A | -0.1553 | |
| 754 | N | A | -0.1470 | |
| 755 | T | A | -0.3875 | |
| 756 | G | A | -0.6544 | |
| 757 | N | A | 0.0000 | |
| 758 | T | A | -0.4909 | |
| 759 | A | A | -0.8066 | |
| 760 | V | A | 0.0000 | |
| 761 | T | A | -0.3597 | |
| 762 | S | A | -0.4144 | |
| 763 | F | A | 0.0000 | |
| 764 | D | A | -0.4922 | |
| 765 | A | A | 0.0000 | |
| 766 | S | A | -0.3826 | |
| 767 | A | A | -0.2555 | |
| 768 | V | A | 0.0000 | |
| 769 | T | A | -0.5623 | |
| 770 | G | A | -0.7103 | |
| 771 | T | A | -0.4695 | |
| 772 | G | A | -0.5622 | |
| 773 | S | A | 0.0000 | |
| 774 | A | A | -0.2532 | |
| 775 | V | A | 0.0000 | |
| 776 | T | A | 0.0736 | |
| 777 | F | A | 0.0000 | |
| 778 | V | A | 1.3826 | |
| 779 | S | A | 0.5962 | |
| 780 | A | A | 0.1972 | |
| 781 | N | A | 0.0000 | |
| 782 | T | A | 0.1895 | |
| 783 | T | A | 0.6413 | |
| 784 | V | A | 1.4966 | |
| 785 | G | A | 0.4581 | |
| 786 | E | A | 0.3511 | |
| 787 | V | A | 1.3920 | |
| 788 | V | A | 0.0000 | |
| 789 | T | A | 0.0414 | |
| 790 | I | A | 0.0000 | |
| 791 | R | A | -0.7564 | |
| 792 | G | A | 0.0000 | |
| 793 | G | A | -0.4250 | |
| 794 | A | A | -0.3106 | |
| 795 | G | A | 0.0000 | |
| 796 | A | A | -0.2238 | |
| 797 | D | A | 0.0000 | |
| 798 | S | A | 0.1772 | |
| 799 | L | A | 0.0000 | |
| 800 | T | A | 0.6121 | |
| 801 | G | A | 0.0000 | |
| 802 | S | A | 0.0000 | |
| 803 | A | A | 0.0134 | |
| 804 | T | A | 0.4667 | |
| 805 | A | A | 0.0000 | |
| 806 | N | A | 0.2093 | |
| 807 | D | A | 0.0000 | |
| 808 | T | A | 0.1829 | |
| 809 | I | A | 0.0000 | |
| 810 | I | A | -0.1059 | |
| 811 | G | A | 0.0000 | |
| 812 | G | A | -0.4852 | |
| 813 | A | A | -0.3532 | |
| 814 | G | A | -0.4649 | |
| 815 | A | A | -0.1788 | |
| 816 | D | A | 0.0000 | |
| 817 | T | A | 0.0534 | |
| 818 | L | A | 0.0000 | |
| 819 | V | A | 0.1072 | |
| 820 | Y | A | 0.0000 | |
| 821 | T | A | -0.2917 | |
| 822 | G | A | -0.1377 | |
| 823 | G | A | 0.1591 | |
| 824 | T | A | -0.0341 | |
| 825 | D | A | 0.0000 | |
| 826 | T | A | -0.0742 | |
| 827 | F | A | 0.0000 | |
| 828 | T | A | -0.3432 | |
| 829 | G | A | 0.0000 | |
| 830 | G | A | -0.6963 | |
| 831 | T | A | -0.6014 | |
| 832 | G | A | -0.3436 | |
| 833 | A | A | 0.0065 | |
| 834 | D | A | 0.0000 | |
| 835 | I | A | 0.0759 | |
| 836 | F | A | 0.0000 | |
| 837 | D | A | -0.3153 | |
| 838 | I | A | 0.0000 | |
| 839 | N | A | -0.7849 | |
| 840 | A | A | -0.1466 | |
| 841 | I | A | 0.2146 | |
| 842 | G | A | 0.0000 | |
| 843 | T | A | 0.0437 | |
| 844 | S | A | 0.0219 | |
| 845 | T | A | -0.0875 | |
| 846 | A | A | 0.0057 | |
| 847 | F | A | 0.1495 | |
| 848 | V | A | 0.0000 | |
| 849 | T | A | -0.1927 | |
| 850 | I | A | 0.0000 | |
| 851 | T | A | -0.5098 | |
| 852 | D | A | -0.8868 | |
| 853 | A | A | -0.1265 | |
| 854 | A | A | 0.5111 | |
| 855 | V | A | 1.6368 | |
| 856 | G | A | 0.5642 | |
| 857 | D | A | 0.0000 | |
| 858 | K | A | -0.2758 | |
| 859 | L | A | 0.0000 | |
| 860 | D | A | -0.0709 | |
| 861 | L | A | 0.0000 | |
| 862 | V | A | 1.2471 | |
| 863 | G | A | 0.0272 | |
| 864 | I | A | 0.0000 | |
| 865 | S | A | 0.0179 | |
| 866 | T | A | -0.3541 | |
| 867 | N | A | -1.2817 | |
| 868 | G | A | -0.5589 | |
| 869 | A | A | -0.2165 | |
| 870 | I | A | 0.0000 | |
| 871 | A | A | -0.9258 | |
| 872 | D | A | -1.9647 | |
| 873 | G | A | -1.3830 | |
| 874 | A | A | -0.8217 | |
| 875 | F | A | 0.0000 | |
| 876 | G | A | -0.3690 | |
| 877 | A | A | -0.0638 | |
| 878 | A | A | -0.0055 | |
| 879 | V | A | 0.2564 | |
| 880 | T | A | 0.2705 | |
| 881 | L | A | 0.2455 | |
| 882 | G | A | -0.1649 | |
| 883 | A | A | 0.0464 | |
| 884 | A | A | -0.0574 | |
| 885 | A | A | -0.0862 | |
| 886 | T | A | -0.1906 | |
| 887 | L | A | -0.0296 | |
| 888 | A | A | -0.4182 | |
| 889 | Q | A | -0.9782 | |
| 890 | Y | A | -0.2680 | |
| 891 | L | A | 0.0000 | |
| 892 | D | A | -0.6930 | |
| 893 | A | A | -0.3409 | |
| 894 | A | A | 0.0000 | |
| 895 | A | A | 0.0000 | |
| 896 | A | A | -0.6279 | |
| 897 | G | A | -1.2573 | |
| 898 | D | A | -2.1251 | |
| 899 | G | A | -1.5328 | |
| 900 | S | A | -1.2900 | |
| 901 | G | A | -1.1959 | |
| 902 | T | A | -1.0368 | |
| 903 | S | A | 0.0000 | |
| 904 | V | A | -0.4941 | |
| 905 | A | A | 0.0000 | |
| 906 | K | A | -0.2076 | |
| 907 | W | A | 0.0000 | |
| 908 | F | A | 0.0000 | |
| 909 | Q | A | 0.0551 | |
| 910 | F | A | 0.3034 | |
| 911 | G | A | -0.3461 | |
| 912 | G | A | -0.2824 | |
| 913 | D | A | -0.1693 | |
| 914 | T | A | 0.0000 | |
| 915 | Y | A | 0.0000 | |
| 916 | V | A | 0.0000 | |
| 917 | V | A | 0.0000 | |
| 918 | V | A | 0.0000 | |
| 919 | D | A | 0.0000 | |
| 920 | S | A | 0.0000 | |
| 921 | S | A | -0.1686 | |
| 922 | A | A | -0.4322 | |
| 923 | G | A | -0.0516 | |
| 924 | A | A | -0.2886 | |
| 925 | T | A | -0.1888 | |
| 926 | F | A | 0.1249 | |
| 927 | V | A | 0.5958 | |
| 928 | S | A | 0.0883 | |
| 929 | G | A | -0.1442 | |
| 930 | A | A | 0.0173 | |
| 931 | D | A | 0.0000 | |
| 932 | A | A | 0.0000 | |
| 933 | V | A | 0.0000 | |
| 934 | I | A | 0.0000 | |
| 935 | K | A | -0.3132 | |
| 936 | L | A | 0.0000 | |
| 937 | T | A | -0.2446 | |
| 938 | G | A | 0.1921 | |
| 939 | L | A | 1.3030 | |
| 940 | V | A | 0.9753 | |
| 941 | T | A | 0.3416 | |
| 942 | L | A | 0.0000 | |
| 943 | T | A | -0.1896 | |
| 944 | T | A | -0.1837 | |
| 945 | S | A | 0.0174 | |
| 946 | A | A | -0.3644 | |
| 947 | F | A | 0.0000 | |
| 948 | A | A | -0.7147 | |
| 949 | T | A | -0.2404 | |
| 950 | E | A | -0.0596 | |
| 951 | V | A | 0.0501 | |
| 952 | L | A | 0.0000 | |
| 953 | T | A | 0.1057 | |
| 954 | L | A | 0.0000 | |
| 955 | A | A | 0.6068 |
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 | 0.5444 | 5.4124 | View | CSV | PDB |
| 4.5 | 0.5199 | 5.3173 | View | CSV | PDB |
| 5.0 | 0.4925 | 5.2159 | View | CSV | PDB |
| 5.5 | 0.465 | 5.1124 | View | CSV | PDB |
| 6.0 | 0.4396 | 5.0083 | View | CSV | PDB |
| 6.5 | 0.4178 | 4.9043 | View | CSV | PDB |
| 7.0 | 0.3995 | 4.8013 | View | CSV | PDB |
| 7.5 | 0.3838 | 4.7015 | View | CSV | PDB |
| 8.0 | 0.3711 | 4.6106 | View | CSV | PDB |
| 8.5 | 0.3627 | 4.5392 | View | CSV | PDB |
| 9.0 | 0.3603 | 4.4962 | 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