| Chain sequence(s) | MAQAHIQGSPCPLLPPGRMSWPQGALLLLWLFSPPLRAGGGGVAVTSAAGGGSPPATSCPAACSCSNQASRVICTRRELAEVPASIPVNTRYLNLQENSIQVIRTDTFKHLRHLEILQLSKNLVRKIEVGAFNGLPSLNTLELFDNRLTTVPTQAFEYLSKLRELWLRNNPIESIPSYAFNRVPSLRRLDLGELKRLEYISEAAFEGLVNLRYLNLGMCNLKDIPNLTALVRLEELELSGNRLDLIRPGSFQGLTSLRKLWLMHAQVATIERNAFDDLKSLEELNLSHNNLMSLPHDLFTPLHRLERVHLNHNPWHCNCDVLWLSWWLKETVPSNTTCCARCHAPAGLKGRYIGELDQSHFTCYAPVIVEPPTDLNVTEGMAAELKCRTGTSMTSVNWLTPNGTLMTHGSYRVRISVLHDGTLNFTNVTVQDTGQYTCMVTNSAGNTTASATLNVSAVDPVAAGGPGGGGPGGGGGAGGAGGYTYFTTVTVETLETQPGEEAQQPRGTEKEPPGPTTDGAWGGGRPDAAAPASASTTAPAPRSSRPTEKAFTVPITDVTENALKDLDDVMKTTKIIIGCFVAITFMAAVMLVAFYKLRKQHQLHKHHGPTRTVEIINVEDELPAASAVSVAAAAAVAGGAGVGGDSHLALPALERDHLNHHHYVAAAFKAHYGGNPGGGCGAKGPGLNSIHEPLLFKSGSKENVQETQI input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:27:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/cb8bb3e3e702d2/tmp/folded.pdb (00:27:36)
[INFO] Main: Simulation completed successfully. (00:40:40)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.8154 | |
| 2 | A | A | -0.0023 | |
| 3 | Q | A | -1.1479 | |
| 4 | A | A | -0.5830 | |
| 5 | H | A | -0.4766 | |
| 6 | I | A | 0.8556 | |
| 7 | Q | A | -0.7290 | |
| 8 | G | A | -0.8549 | |
| 9 | S | A | -0.7082 | |
| 10 | P | A | -0.0010 | |
| 11 | C | A | 0.8218 | |
| 12 | P | A | 1.0945 | |
| 13 | L | A | 2.2440 | |
| 14 | L | A | 1.9763 | |
| 15 | P | A | 0.4945 | |
| 16 | P | A | -0.3826 | |
| 17 | G | A | -1.1184 | |
| 18 | R | A | -1.5730 | |
| 19 | M | A | 0.1662 | |
| 20 | S | A | 0.1411 | |
| 21 | W | A | 0.6509 | |
| 22 | P | A | -0.3095 | |
| 23 | Q | A | -1.0981 | |
| 24 | G | A | -0.4430 | |
| 25 | A | A | 0.8071 | |
| 26 | L | A | 2.4187 | |
| 27 | L | A | 3.3067 | |
| 28 | L | A | 3.4097 | |
| 29 | L | A | 3.1380 | |
| 30 | W | A | 3.2613 | |
| 31 | L | A | 3.3031 | |
| 32 | F | A | 2.8018 | |
| 33 | S | A | 0.9054 | |
| 34 | P | A | 0.4166 | |
| 35 | P | A | -0.0688 | |
| 36 | L | A | 0.4681 | |
| 37 | R | A | -1.2370 | |
| 38 | A | A | -0.8435 | |
| 39 | G | A | -1.2345 | |
| 40 | G | A | -1.2394 | |
| 41 | G | A | -0.6232 | |
| 42 | G | A | 0.2490 | |
| 43 | V | A | 1.9058 | |
| 44 | A | A | 1.5805 | |
| 45 | V | A | 2.1182 | |
| 46 | T | A | 0.9245 | |
| 47 | S | A | 0.1507 | |
| 48 | A | A | -0.0055 | |
| 49 | A | A | -0.3912 | |
| 50 | G | A | -0.8534 | |
| 51 | G | A | -0.9862 | |
| 52 | G | A | -1.0513 | |
| 53 | S | A | -0.8061 | |
| 54 | P | A | -0.6522 | |
| 55 | P | A | -0.5298 | |
| 56 | A | A | -0.1199 | |
| 57 | T | A | -0.1688 | |
| 58 | S | A | -0.0385 | |
| 59 | C | A | 0.2539 | |
| 60 | P | A | 0.0000 | |
| 61 | A | A | 0.0943 | |
| 62 | A | A | -0.6008 | |
| 63 | C | A | -0.1660 | |
| 64 | S | A | 0.0870 | |
| 65 | C | A | -0.4081 | |
| 66 | S | A | -1.1742 | |
| 67 | N | A | -2.3516 | |
| 68 | Q | A | -2.1232 | |
| 69 | A | A | -1.5708 | |
| 70 | S | A | 0.0000 | |
| 71 | R | A | -1.6131 | |
| 72 | V | A | 0.0000 | |
| 73 | I | A | 0.3049 | |
| 74 | C | A | 0.0000 | |
| 75 | T | A | -1.8398 | |
| 76 | R | A | -3.4358 | |
| 77 | R | A | -3.6387 | |
| 78 | E | A | -3.4753 | |
| 79 | L | A | -2.2911 | |
| 80 | A | A | -1.2889 | |
| 81 | E | A | -2.0512 | |
| 82 | V | A | -0.8442 | |
| 83 | P | A | -0.3390 | |
| 84 | A | A | -0.2564 | |
| 85 | S | A | -0.0399 | |
| 86 | I | A | 0.0000 | |
| 87 | P | A | 0.0000 | |
| 88 | V | A | -0.6640 | |
| 89 | N | A | -1.9953 | |
| 90 | T | A | 0.0000 | |
| 91 | R | A | -2.6537 | |
| 92 | Y | A | -1.1195 | |
| 93 | L | A | 0.0000 | |
| 94 | N | A | -0.0484 | |
| 95 | L | A | 0.0000 | |
| 96 | Q | A | -1.4864 | |
| 97 | E | A | -2.1669 | |
| 98 | N | A | 0.0000 | |
| 99 | S | A | -1.3659 | |
| 100 | I | A | 0.0000 | |
| 101 | Q | A | -1.2595 | |
| 102 | V | A | -0.9807 | |
| 103 | I | A | 0.0000 | |
| 104 | R | A | -1.9835 | |
| 105 | T | A | -0.9116 | |
| 106 | D | A | -1.3391 | |
| 107 | T | A | -1.4049 | |
| 108 | F | A | 0.0000 | |
| 109 | K | A | -1.6469 | |
| 110 | H | A | -1.4393 | |
| 111 | L | A | 0.0000 | |
| 112 | R | A | -2.6681 | |
| 113 | H | A | -2.4660 | |
| 114 | L | A | 0.0000 | |
| 115 | E | A | -1.9999 | |
| 116 | I | A | -0.7494 | |
| 117 | L | A | 0.0000 | |
| 118 | Q | A | -0.1767 | |
| 119 | L | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | K | A | -1.4286 | |
| 122 | N | A | 0.0000 | |
| 123 | L | A | -0.2989 | |
| 124 | V | A | 0.0000 | |
| 125 | R | A | -2.4704 | |
| 126 | K | A | -1.9926 | |
| 127 | I | A | -1.0162 | |
| 128 | E | A | -0.5116 | |
| 129 | V | A | 0.5313 | |
| 130 | G | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | F | A | 0.0000 | |
| 133 | N | A | -0.7755 | |
| 134 | G | A | -1.2616 | |
| 135 | L | A | 0.0000 | |
| 136 | P | A | -1.2568 | |
| 137 | S | A | -1.7625 | |
| 138 | L | A | 0.0000 | |
| 139 | N | A | -1.4365 | |
| 140 | T | A | -0.8349 | |
| 141 | L | A | 0.0000 | |
| 142 | E | A | -0.3509 | |
| 143 | L | A | 0.0000 | |
| 144 | F | A | -0.6242 | |
| 145 | D | A | -1.0991 | |
| 146 | N | A | 0.0000 | |
| 147 | R | A | -2.0046 | |
| 148 | L | A | 0.0000 | |
| 149 | T | A | -1.7578 | |
| 150 | T | A | -1.1213 | |
| 151 | V | A | 0.0000 | |
| 152 | P | A | -0.3490 | |
| 153 | T | A | -0.7098 | |
| 154 | Q | A | -1.1210 | |
| 155 | A | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | E | A | -0.8646 | |
| 158 | Y | A | 0.0460 | |
| 159 | L | A | 0.0000 | |
| 160 | S | A | -1.0458 | |
| 161 | K | A | -1.8005 | |
| 162 | L | A | 0.0000 | |
| 163 | R | A | -2.0264 | |
| 164 | E | A | -1.4179 | |
| 165 | L | A | 0.0000 | |
| 166 | W | A | -0.2207 | |
| 167 | L | A | 0.0000 | |
| 168 | R | A | -0.8275 | |
| 169 | N | A | -1.4270 | |
| 170 | N | A | 0.0000 | |
| 171 | P | A | -2.2578 | |
| 172 | I | A | 0.0000 | |
| 173 | E | A | -2.9549 | |
| 174 | S | A | -1.2164 | |
| 175 | I | A | 0.0000 | |
| 176 | P | A | -0.0383 | |
| 177 | S | A | -0.1483 | |
| 178 | Y | A | 0.2365 | |
| 179 | A | A | 0.0000 | |
| 180 | F | A | 0.0000 | |
| 181 | N | A | -1.2742 | |
| 182 | R | A | -2.1536 | |
| 183 | V | A | 0.0000 | |
| 184 | P | A | -1.2350 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | R | A | -2.4160 | |
| 188 | R | A | -1.7993 | |
| 189 | L | A | 0.0000 | |
| 190 | D | A | 0.0000 | |
| 191 | L | A | 0.0000 | |
| 192 | G | A | 0.0000 | |
| 193 | E | A | -1.4031 | |
| 194 | L | A | 0.0000 | |
| 195 | K | A | -3.1127 | |
| 196 | R | A | -3.6755 | |
| 197 | L | A | 0.0000 | |
| 198 | E | A | -2.6590 | |
| 199 | Y | A | -0.2934 | |
| 200 | I | A | -0.2718 | |
| 201 | S | A | 0.0000 | |
| 202 | E | A | -1.7970 | |
| 203 | A | A | -0.9978 | |
| 204 | A | A | 0.0000 | |
| 205 | F | A | 0.0000 | |
| 206 | E | A | -1.0764 | |
| 207 | G | A | -0.6313 | |
| 208 | L | A | 0.0000 | |
| 209 | V | A | 0.0082 | |
| 210 | N | A | -1.1173 | |
| 211 | L | A | 0.0000 | |
| 212 | R | A | -2.4370 | |
| 213 | Y | A | -1.6020 | |
| 214 | L | A | 0.0000 | |
| 215 | N | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | M | A | -0.7797 | |
| 219 | C | A | 0.0000 | |
| 220 | N | A | -2.7956 | |
| 221 | L | A | 0.0000 | |
| 222 | K | A | -4.0199 | |
| 223 | D | A | -3.3802 | |
| 224 | I | A | 0.0000 | |
| 225 | P | A | -1.1306 | |
| 226 | N | A | -1.4622 | |
| 227 | L | A | 0.0000 | |
| 228 | T | A | -0.3118 | |
| 229 | A | A | -0.3242 | |
| 230 | L | A | 0.0000 | |
| 231 | V | A | 0.3596 | |
| 232 | R | A | -1.6013 | |
| 233 | L | A | 0.0000 | |
| 234 | E | A | -1.7482 | |
| 235 | E | A | -1.4463 | |
| 236 | L | A | 0.0000 | |
| 237 | E | A | -0.2476 | |
| 238 | L | A | 0.0000 | |
| 239 | S | A | -0.5944 | |
| 240 | G | A | -0.9829 | |
| 241 | N | A | 0.0000 | |
| 242 | R | A | -3.8261 | |
| 243 | L | A | 0.0000 | |
| 244 | D | A | -3.1535 | |
| 245 | L | A | -1.4681 | |
| 246 | I | A | 0.0000 | |
| 247 | R | A | -0.9683 | |
| 248 | P | A | 0.0000 | |
| 249 | G | A | -0.7616 | |
| 250 | S | A | -0.8546 | |
| 251 | F | A | 0.0000 | |
| 252 | Q | A | -0.5686 | |
| 253 | G | A | -0.3265 | |
| 254 | L | A | 0.0000 | |
| 255 | T | A | -0.7455 | |
| 256 | S | A | -1.0904 | |
| 257 | L | A | 0.0000 | |
| 258 | R | A | -2.0056 | |
| 259 | K | A | -1.2440 | |
| 260 | L | A | 0.0000 | |
| 261 | W | A | -0.1794 | |
| 262 | L | A | 0.0000 | |
| 263 | M | A | -0.5479 | |
| 264 | H | A | -1.5405 | |
| 265 | A | A | 0.0000 | |
| 266 | Q | A | -2.6752 | |
| 267 | V | A | 0.0000 | |
| 268 | A | A | -1.1911 | |
| 269 | T | A | -0.5835 | |
| 270 | I | A | 0.0000 | |
| 271 | E | A | -0.6153 | |
| 272 | R | A | 0.0000 | |
| 273 | N | A | -0.8405 | |
| 274 | A | A | 0.0000 | |
| 275 | F | A | 0.0000 | |
| 276 | D | A | -0.7964 | |
| 277 | D | A | -0.9393 | |
| 278 | L | A | 0.0000 | |
| 279 | K | A | -1.8616 | |
| 280 | S | A | -1.7422 | |
| 281 | L | A | 0.0000 | |
| 282 | E | A | -2.6431 | |
| 283 | E | A | -1.8504 | |
| 284 | L | A | 0.0000 | |
| 285 | N | A | -0.5168 | |
| 286 | L | A | 0.0000 | |
| 287 | S | A | 0.0000 | |
| 288 | H | A | -1.5100 | |
| 289 | N | A | 0.0000 | |
| 290 | N | A | -1.7780 | |
| 291 | L | A | 0.0000 | |
| 292 | M | A | -0.0458 | |
| 293 | S | A | -0.1271 | |
| 294 | L | A | 0.0000 | |
| 295 | P | A | 0.0000 | |
| 296 | H | A | 0.0000 | |
| 297 | D | A | -1.1535 | |
| 298 | L | A | 0.0000 | |
| 299 | F | A | 0.0000 | |
| 300 | T | A | -0.9292 | |
| 301 | P | A | -1.1470 | |
| 302 | L | A | 0.0000 | |
| 303 | H | A | -2.4220 | |
| 304 | R | A | -3.3865 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -2.9668 | |
| 307 | R | A | -2.1130 | |
| 308 | V | A | 0.0000 | |
| 309 | H | A | -0.5307 | |
| 310 | L | A | 0.0000 | |
| 311 | N | A | -0.9661 | |
| 312 | H | A | -1.8979 | |
| 313 | N | A | 0.0000 | |
| 314 | P | A | -1.3980 | |
| 315 | W | A | 0.0000 | |
| 316 | H | A | -1.1274 | |
| 317 | C | A | 0.0000 | |
| 318 | N | A | -0.6800 | |
| 319 | C | A | -0.1506 | |
| 320 | D | A | -0.3344 | |
| 321 | V | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | W | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | W | A | -1.1245 | |
| 327 | W | A | -0.9122 | |
| 328 | L | A | 0.0000 | |
| 329 | K | A | -2.7459 | |
| 330 | E | A | -2.4827 | |
| 331 | T | A | -1.8304 | |
| 332 | V | A | -1.6934 | |
| 333 | P | A | -1.3011 | |
| 334 | S | A | -1.0233 | |
| 335 | N | A | -1.1842 | |
| 336 | T | A | -0.7788 | |
| 337 | T | A | -0.5003 | |
| 338 | C | A | 0.3224 | |
| 339 | C | A | -0.1702 | |
| 340 | A | A | 0.0000 | |
| 341 | R | A | -2.8885 | |
| 342 | C | A | 0.0000 | |
| 343 | H | A | -2.4380 | |
| 344 | A | A | -1.6518 | |
| 345 | P | A | -1.0965 | |
| 346 | A | A | -1.0288 | |
| 347 | G | A | -1.1314 | |
| 348 | L | A | -1.8250 | |
| 349 | K | A | -2.8676 | |
| 350 | G | A | -2.1616 | |
| 351 | R | A | -2.4319 | |
| 352 | Y | A | -1.6560 | |
| 353 | I | A | 0.0000 | |
| 354 | G | A | -1.9521 | |
| 355 | E | A | -2.9213 | |
| 356 | L | A | 0.0000 | |
| 357 | D | A | -2.8687 | |
| 358 | Q | A | -2.1156 | |
| 359 | S | A | -1.5547 | |
| 360 | H | A | -1.6467 | |
| 361 | F | A | -0.7196 | |
| 362 | T | A | 0.0241 | |
| 363 | C | A | 0.5240 | |
| 364 | Y | A | 1.4998 | |
| 365 | A | A | 0.6502 | |
| 366 | P | A | 0.0000 | |
| 367 | V | A | 1.8186 | |
| 368 | I | A | 0.8208 | |
| 369 | V | A | 0.9012 | |
| 370 | E | A | -1.3014 | |
| 371 | P | A | -0.7734 | |
| 372 | P | A | 0.0000 | |
| 373 | T | A | -1.5540 | |
| 374 | D | A | -2.1859 | |
| 375 | L | A | -1.4932 | |
| 376 | N | A | -1.8465 | |
| 377 | V | A | 0.0000 | |
| 378 | T | A | -0.3589 | |
| 379 | E | A | -0.6992 | |
| 380 | G | A | -0.3041 | |
| 381 | M | A | 0.1773 | |
| 382 | A | A | -0.5396 | |
| 383 | A | A | 0.0000 | |
| 384 | E | A | -1.9905 | |
| 385 | L | A | 0.0000 | |
| 386 | K | A | -1.7527 | |
| 387 | C | A | 0.0000 | |
| 388 | R | A | -1.6784 | |
| 389 | T | A | -0.2694 | |
| 390 | G | A | 0.0954 | |
| 391 | T | A | -0.0980 | |
| 392 | S | A | -0.7621 | |
| 393 | M | A | -0.2727 | |
| 394 | T | A | 0.0000 | |
| 395 | S | A | -0.5260 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | 0.1563 | |
| 398 | W | A | 0.0000 | |
| 399 | L | A | 0.2846 | |
| 400 | T | A | 0.0000 | |
| 401 | P | A | -1.2836 | |
| 402 | N | A | -1.6687 | |
| 403 | G | A | -0.7805 | |
| 404 | T | A | -0.0686 | |
| 405 | L | A | 0.7690 | |
| 406 | M | A | 0.0000 | |
| 407 | T | A | -0.1415 | |
| 408 | H | A | -0.7095 | |
| 409 | G | A | -0.6469 | |
| 410 | S | A | -0.0926 | |
| 411 | Y | A | 0.1726 | |
| 412 | R | A | -0.7259 | |
| 413 | V | A | 0.7658 | |
| 414 | R | A | -0.3558 | |
| 415 | I | A | -0.4838 | |
| 416 | S | A | -0.4520 | |
| 417 | V | A | 0.0000 | |
| 418 | L | A | -0.6008 | |
| 419 | H | A | -1.3227 | |
| 420 | D | A | -1.2253 | |
| 421 | G | A | 0.0000 | |
| 422 | T | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | N | A | -1.2263 | |
| 425 | F | A | 0.0000 | |
| 426 | T | A | -0.5988 | |
| 427 | N | A | -1.0001 | |
| 428 | V | A | 0.0000 | |
| 429 | T | A | -0.5621 | |
| 430 | V | A | 0.1386 | |
| 431 | Q | A | -1.0886 | |
| 432 | D | A | 0.0000 | |
| 433 | T | A | -0.8724 | |
| 434 | G | A | -1.2004 | |
| 435 | Q | A | -1.7823 | |
| 436 | Y | A | 0.0000 | |
| 437 | T | A | -0.1710 | |
| 438 | C | A | 0.0000 | |
| 439 | M | A | 0.0377 | |
| 440 | V | A | 0.0000 | |
| 441 | T | A | -0.6060 | |
| 442 | N | A | -0.3072 | |
| 443 | S | A | -0.2940 | |
| 444 | A | A | 0.0171 | |
| 445 | G | A | -0.5420 | |
| 446 | N | A | -1.0150 | |
| 447 | T | A | -0.2488 | |
| 448 | T | A | -0.1058 | |
| 449 | A | A | -0.2588 | |
| 450 | S | A | -0.6894 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.5928 | |
| 453 | L | A | 0.0000 | |
| 454 | N | A | -1.7543 | |
| 455 | V | A | 0.0000 | |
| 456 | S | A | -0.4163 | |
| 457 | A | A | 0.1539 | |
| 458 | V | A | 0.9374 | |
| 459 | D | A | -0.5198 | |
| 460 | P | A | 0.1849 | |
| 461 | V | A | 1.0892 | |
| 462 | A | A | 0.3857 | |
| 463 | A | A | -0.0362 | |
| 464 | G | A | -0.2328 | |
| 465 | G | A | -0.6699 | |
| 466 | P | A | -0.8009 | |
| 467 | G | A | -1.2036 | |
| 468 | G | A | -1.1558 | |
| 469 | G | A | -1.1375 | |
| 470 | G | A | -1.1370 | |
| 471 | P | A | -0.9202 | |
| 472 | G | A | -1.0667 | |
| 473 | G | A | -1.1668 | |
| 474 | G | A | -1.1280 | |
| 475 | G | A | -1.0217 | |
| 476 | G | A | -0.8690 | |
| 477 | A | A | -0.5794 | |
| 478 | G | A | -0.8106 | |
| 479 | G | A | -0.8427 | |
| 480 | A | A | -0.4425 | |
| 481 | G | A | -0.5966 | |
| 482 | G | A | 0.0518 | |
| 483 | Y | A | 1.5286 | |
| 484 | T | A | 1.4936 | |
| 485 | Y | A | 2.4581 | |
| 486 | F | A | 2.9101 | |
| 487 | T | A | 1.6932 | |
| 488 | T | A | 1.6996 | |
| 489 | V | A | 2.1856 | |
| 490 | T | A | 1.0639 | |
| 491 | V | A | 1.5289 | |
| 492 | E | A | -0.5481 | |
| 493 | T | A | -0.2343 | |
| 494 | L | A | 0.1432 | |
| 495 | E | A | -1.7208 | |
| 496 | T | A | -1.2101 | |
| 497 | Q | A | -1.9596 | |
| 498 | P | A | -1.8736 | |
| 499 | G | A | -2.1647 | |
| 500 | E | A | -3.1187 | |
| 501 | E | A | -3.1976 | |
| 502 | A | A | -2.0660 | |
| 503 | Q | A | -2.2274 | |
| 504 | Q | A | -2.5782 | |
| 505 | P | A | -2.1245 | |
| 506 | R | A | -2.5032 | |
| 507 | G | A | -1.9410 | |
| 508 | T | A | -1.9836 | |
| 509 | E | A | -3.2486 | |
| 510 | K | A | -3.6241 | |
| 511 | E | A | -3.1912 | |
| 512 | P | A | -1.7853 | |
| 513 | P | A | -1.0894 | |
| 514 | G | A | -0.7729 | |
| 515 | P | A | -0.5789 | |
| 516 | T | A | -0.7491 | |
| 517 | T | A | -1.2219 | |
| 518 | D | A | -2.0555 | |
| 519 | G | A | -1.0529 | |
| 520 | A | A | -0.1231 | |
| 521 | W | A | 0.7504 | |
| 522 | G | A | -0.3394 | |
| 523 | G | A | -1.0743 | |
| 524 | G | A | -1.7307 | |
| 525 | R | A | -2.7474 | |
| 526 | P | A | -2.2609 | |
| 527 | D | A | -2.2542 | |
| 528 | A | A | -0.9832 | |
| 529 | A | A | -0.3555 | |
| 530 | A | A | -0.2078 | |
| 531 | P | A | -0.2277 | |
| 532 | A | A | -0.1586 | |
| 533 | S | A | -0.2482 | |
| 534 | A | A | -0.3418 | |
| 535 | S | A | -0.4948 | |
| 536 | T | A | -0.1960 | |
| 537 | T | A | -0.1793 | |
| 538 | A | A | -0.1223 | |
| 539 | P | A | -0.2621 | |
| 540 | A | A | -0.5386 | |
| 541 | P | A | -1.2222 | |
| 542 | R | A | -2.1081 | |
| 543 | S | A | -1.6823 | |
| 544 | S | A | -1.6706 | |
| 545 | R | A | -2.1443 | |
| 546 | P | A | -1.7275 | |
| 547 | T | A | -1.8043 | |
| 548 | E | A | -2.5286 | |
| 549 | K | A | -2.1444 | |
| 550 | A | A | -0.3139 | |
| 551 | F | A | 1.7577 | |
| 552 | T | A | 1.8932 | |
| 553 | V | A | 2.4505 | |
| 554 | P | A | 1.3535 | |
| 555 | I | A | 2.1600 | |
| 556 | T | A | 0.6410 | |
| 557 | D | A | -1.1790 | |
| 558 | V | A | 0.6059 | |
| 559 | T | A | -0.5782 | |
| 560 | E | A | -2.4537 | |
| 561 | N | A | -2.4660 | |
| 562 | A | A | -1.3737 | |
| 563 | L | A | -0.6004 | |
| 564 | K | A | -2.9327 | |
| 565 | D | A | -2.8143 | |
| 566 | L | A | -0.6597 | |
| 567 | D | A | -2.2151 | |
| 568 | D | A | -2.7042 | |
| 569 | V | A | -0.0220 | |
| 570 | M | A | -0.5938 | |
| 571 | K | A | -1.6239 | |
| 572 | T | A | 0.1491 | |
| 573 | T | A | 0.5199 | |
| 574 | K | A | 0.0356 | |
| 575 | I | A | 2.7407 | |
| 576 | I | A | 3.5650 | |
| 577 | I | A | 3.1668 | |
| 578 | G | A | 2.7250 | |
| 579 | C | A | 3.8836 | |
| 580 | F | A | 4.8869 | |
| 581 | V | A | 4.5076 | |
| 582 | A | A | 3.7323 | |
| 583 | I | A | 4.4123 | |
| 584 | T | A | 3.4608 | |
| 585 | F | A | 4.3252 | |
| 586 | M | A | 3.9480 | |
| 587 | A | A | 2.9370 | |
| 588 | A | A | 2.9717 | |
| 589 | V | A | 3.5815 | |
| 590 | M | A | 2.9772 | |
| 591 | L | A | 3.6649 | |
| 592 | V | A | 3.0062 | |
| 593 | A | A | 1.7317 | |
| 594 | F | A | 1.7710 | |
| 595 | Y | A | 1.0804 | |
| 596 | K | A | -1.2513 | |
| 597 | L | A | -0.6989 | |
| 598 | R | A | -2.6425 | |
| 599 | K | A | -3.1726 | |
| 600 | Q | A | -2.8355 | |
| 601 | H | A | -3.3748 | |
| 602 | Q | A | -3.3456 | |
| 603 | L | A | -1.6628 | |
| 604 | H | A | -3.0488 | |
| 605 | K | A | -3.3165 | |
| 606 | H | A | -2.6627 | |
| 607 | H | A | -2.2623 | |
| 608 | G | A | -1.7993 | |
| 609 | P | A | -1.2933 | |
| 610 | T | A | -1.1255 | |
| 611 | R | A | -1.7698 | |
| 612 | T | A | -0.4073 | |
| 613 | V | A | 1.1032 | |
| 614 | E | A | 0.2176 | |
| 615 | I | A | 2.1888 | |
| 616 | I | A | 2.4858 | |
| 617 | N | A | 0.3967 | |
| 618 | V | A | 0.3402 | |
| 619 | E | A | -2.5437 | |
| 620 | D | A | -2.8040 | |
| 621 | E | A | -2.3906 | |
| 622 | L | A | 0.1507 | |
| 623 | P | A | 0.1453 | |
| 624 | A | A | 0.2128 | |
| 625 | A | A | -0.0548 | |
| 626 | S | A | 0.2139 | |
| 627 | A | A | 0.8035 | |
| 628 | V | A | 2.0208 | |
| 629 | S | A | 1.5811 | |
| 630 | V | A | 2.0673 | |
| 631 | A | A | 0.9009 | |
| 632 | A | A | 0.4744 | |
| 633 | A | A | 0.1430 | |
| 634 | A | A | 0.5002 | |
| 635 | A | A | 1.0655 | |
| 636 | V | A | 1.7433 | |
| 637 | A | A | 0.5436 | |
| 638 | G | A | -0.2625 | |
| 639 | G | A | -0.7430 | |
| 640 | A | A | -0.1185 | |
| 641 | G | A | 0.2289 | |
| 642 | V | A | 1.2365 | |
| 643 | G | A | -0.3258 | |
| 644 | G | A | -1.2460 | |
| 645 | D | A | -2.4416 | |
| 646 | S | A | -1.2714 | |
| 647 | H | A | -0.7496 | |
| 648 | L | A | 1.4043 | |
| 649 | A | A | 1.2466 | |
| 650 | L | A | 1.8184 | |
| 651 | P | A | 0.8821 | |
| 652 | A | A | 0.6685 | |
| 653 | L | A | 0.2125 | |
| 654 | E | A | -2.3762 | |
| 655 | R | A | -3.6405 | |
| 656 | D | A | -3.4312 | |
| 657 | H | A | -1.7909 | |
| 658 | L | A | -0.1930 | |
| 659 | N | A | -1.3002 | |
| 660 | H | A | -1.9989 | |
| 661 | H | A | -1.9420 | |
| 662 | H | A | -0.6101 | |
| 663 | Y | A | 1.4797 | |
| 664 | V | A | 2.2043 | |
| 665 | A | A | 1.2539 | |
| 666 | A | A | 0.9514 | |
| 667 | A | A | 0.8651 | |
| 668 | F | A | 1.1700 | |
| 669 | K | A | -0.7966 | |
| 670 | A | A | -0.5640 | |
| 671 | H | A | -0.7781 | |
| 672 | Y | A | 0.2818 | |
| 673 | G | A | -0.4466 | |
| 674 | G | A | -1.1543 | |
| 675 | N | A | -1.8325 | |
| 676 | P | A | -1.2692 | |
| 677 | G | A | -1.1674 | |
| 678 | G | A | -0.8502 | |
| 679 | G | A | -0.5687 | |
| 680 | C | A | 0.1906 | |
| 681 | G | A | -0.5226 | |
| 682 | A | A | -0.9489 | |
| 683 | K | A | -2.0831 | |
| 684 | G | A | -1.6080 | |
| 685 | P | A | -0.7541 | |
| 686 | G | A | -0.0890 | |
| 687 | L | A | 0.5989 | |
| 688 | N | A | -0.3441 | |
| 689 | S | A | 0.2102 | |
| 690 | I | A | 0.8257 | |
| 691 | H | A | -1.1014 | |
| 692 | E | A | -1.7861 | |
| 693 | P | A | -0.2510 | |
| 694 | L | A | 2.2493 | |
| 695 | L | A | 2.7814 | |
| 696 | F | A | 2.1810 | |
| 697 | K | A | -0.6344 | |
| 698 | S | A | -1.0165 | |
| 699 | G | A | -1.4039 | |
| 700 | S | A | -1.8396 | |
| 701 | K | A | -2.8973 | |
| 702 | E | A | -2.9557 | |
| 703 | N | A | -2.2529 | |
| 704 | V | A | -0.6594 | |
| 705 | Q | A | -1.9827 | |
| 706 | E | A | -2.2292 | |
| 707 | T | A | -1.1648 | |
| 708 | Q | A | -0.8709 | |
| 709 | I | A | 1.1994 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.229 | 8.6879 | View | CSV | PDB |
| 4.5 | -0.2805 | 8.6889 | View | CSV | PDB |
| 5.0 | -0.3444 | 8.6919 | View | CSV | PDB |
| 5.5 | -0.406 | 8.7003 | View | CSV | PDB |
| 6.0 | -0.4507 | 8.7199 | View | CSV | PDB |
| 6.5 | -0.4713 | 8.7539 | View | CSV | PDB |
| 7.0 | -0.4716 | 8.7987 | View | CSV | PDB |
| 7.5 | -0.4607 | 8.8488 | View | CSV | PDB |
| 8.0 | -0.4446 | 8.9007 | View | CSV | PDB |
| 8.5 | -0.4245 | 8.9531 | View | CSV | PDB |
| 9.0 | -0.3992 | 9.0053 | 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