| Chain sequence(s) |
A: MAEAPQVVEIDPDFEPLPRPRSCTWPLPRPEFSQSNSATSSPAPSGSAAANPDAAAGLPSASAAAVSADFMSNLSLLEESEDFPQAPGSVAAAVAAAAAAAATGGLCGDFQGPEAGCLHPAPPQPPPPGPLSQHPPVPPAAAGPLAGQPRKSSSSRRNAWGNLSYADLITKAIESSAEKRLTLSQIYEWMVKSVPYFKDKGDSNSSAGWKNSIRHNLSLHSKFIRVQNEGTGKSSWWMLNPEGGKSGKSPRRRAASMDNNSKFAKSRSRAAKKKASLQSGQEGAGDSPGSQFSKWPASPGSHSNDDFDNWSTFRPRTSSNASTISGRLSPIMTEQDDLGEGDVHSMVYPPSAAKMASTLPSLSEISNPENMENLLDNLNLLSSPTSLTVSTQSSPGTMMQQTPCYSFAPPNTSLNSPSPNYQKYTYGQSSMSPLPQMPIQTLQDNKSSYGGMSQYNCAPGLLKELLTSDSPPHNDIMTPVDPGVAQPNSRVLGQNVMMGPNSVMSTYGSQASHNKMMNPSSHTHPGHAQQTSAVNGRPLPHTVSTMPHTSGMNRLTQVKTPVQVPLPHPMQMSALGGYSSVSSCNGYGRMGLLHQEKLPSDLDGMFIERLDCDMESIIRNDLMDGDTLDFNFDNVLPNQSFPHSVKTTTHSWVSG
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:20)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e6da599e3a68bf0/tmp/folded.pdb (00:05:20)
[INFO] Main: Simulation completed successfully. (00:11:10)
|
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 | 0.5164 | |
| 2 | A | A | -0.2290 | |
| 3 | E | A | -1.6509 | |
| 4 | A | A | -0.8540 | |
| 5 | P | A | -0.5669 | |
| 6 | Q | A | -0.4528 | |
| 7 | V | A | 1.7793 | |
| 8 | V | A | 1.8037 | |
| 9 | E | A | -0.0006 | |
| 10 | I | A | 1.0814 | |
| 11 | D | A | -0.8816 | |
| 12 | P | A | -1.2229 | |
| 13 | D | A | -1.6566 | |
| 14 | F | A | 0.2415 | |
| 15 | E | A | -1.1463 | |
| 16 | P | A | -0.4511 | |
| 17 | L | A | 0.5236 | |
| 18 | P | A | -1.0808 | |
| 19 | R | A | -2.1986 | |
| 20 | P | A | -1.8590 | |
| 21 | R | A | -2.4372 | |
| 22 | S | A | -0.8707 | |
| 23 | C | A | 0.4689 | |
| 24 | T | A | 0.6755 | |
| 25 | W | A | 1.6224 | |
| 26 | P | A | 0.7613 | |
| 27 | L | A | 1.1070 | |
| 28 | P | A | -0.6416 | |
| 29 | R | A | -1.9574 | |
| 30 | P | A | -1.4023 | |
| 31 | E | A | -1.7652 | |
| 32 | F | A | 0.2688 | |
| 33 | S | A | -0.6644 | |
| 34 | Q | A | -1.3679 | |
| 35 | S | A | -1.2750 | |
| 36 | N | A | -1.7434 | |
| 37 | S | A | -1.0060 | |
| 38 | A | A | -0.4596 | |
| 39 | T | A | -0.4038 | |
| 40 | S | A | -0.4109 | |
| 41 | S | A | -0.4729 | |
| 42 | P | A | -0.4567 | |
| 43 | A | A | -0.2698 | |
| 44 | P | A | -0.4771 | |
| 45 | S | A | -0.5963 | |
| 46 | G | A | -0.7311 | |
| 47 | S | A | -0.4915 | |
| 48 | A | A | -0.1050 | |
| 49 | A | A | -0.1946 | |
| 50 | A | A | -0.5559 | |
| 51 | N | A | -1.7373 | |
| 52 | P | A | -1.7158 | |
| 53 | D | A | -2.1456 | |
| 54 | A | A | -0.8006 | |
| 55 | A | A | -0.3657 | |
| 56 | A | A | 0.2321 | |
| 57 | G | A | 0.2463 | |
| 58 | L | A | 1.1795 | |
| 59 | P | A | 0.3047 | |
| 60 | S | A | -0.0619 | |
| 61 | A | A | -0.1925 | |
| 62 | S | A | -0.1838 | |
| 63 | A | A | 0.1910 | |
| 64 | A | A | 0.4627 | |
| 65 | A | A | 0.9160 | |
| 66 | V | A | 1.5415 | |
| 67 | S | A | 0.5815 | |
| 68 | A | A | 0.0689 | |
| 69 | D | A | -0.5728 | |
| 70 | F | A | 1.2832 | |
| 71 | M | A | 1.3448 | |
| 72 | S | A | 0.1844 | |
| 73 | N | A | -0.0687 | |
| 74 | L | A | 1.4770 | |
| 75 | S | A | 1.0627 | |
| 76 | L | A | 1.6655 | |
| 77 | L | A | 1.0091 | |
| 78 | E | A | -1.4948 | |
| 79 | E | A | -2.6446 | |
| 80 | S | A | -2.6889 | |
| 81 | E | A | -2.7657 | |
| 82 | D | A | -1.8296 | |
| 83 | F | A | 0.2847 | |
| 84 | P | A | -0.3175 | |
| 85 | Q | A | -0.8798 | |
| 86 | A | A | -0.6509 | |
| 87 | P | A | -0.7769 | |
| 88 | G | A | -0.2616 | |
| 89 | S | A | 0.3950 | |
| 90 | V | A | 1.6013 | |
| 91 | A | A | 0.8618 | |
| 92 | A | A | 0.8760 | |
| 93 | A | A | 1.1545 | |
| 94 | V | A | 1.8625 | |
| 95 | A | A | 0.9912 | |
| 96 | A | A | 0.5753 | |
| 97 | A | A | 0.1478 | |
| 98 | A | A | 0.1483 | |
| 99 | A | A | 0.1391 | |
| 100 | A | A | 0.1459 | |
| 101 | A | A | 0.1134 | |
| 102 | A | A | -0.0361 | |
| 103 | T | A | -0.4021 | |
| 104 | G | A | -0.4399 | |
| 105 | G | A | 0.1268 | |
| 106 | L | A | 1.5138 | |
| 107 | C | A | 0.8398 | |
| 108 | G | A | -0.1455 | |
| 109 | D | A | -1.0426 | |
| 110 | F | A | 0.1894 | |
| 111 | Q | A | -0.9649 | |
| 112 | G | A | -1.2005 | |
| 113 | P | A | -1.6409 | |
| 114 | E | A | -2.0991 | |
| 115 | A | A | -0.9565 | |
| 116 | G | A | -0.1245 | |
| 117 | C | A | 1.0912 | |
| 118 | L | A | 1.2862 | |
| 119 | H | A | -0.2300 | |
| 120 | P | A | -0.4773 | |
| 121 | A | A | -0.4801 | |
| 122 | P | A | -0.6697 | |
| 123 | P | A | -1.0226 | |
| 124 | Q | A | -1.5769 | |
| 125 | P | A | -1.0592 | |
| 126 | P | A | -0.8256 | |
| 127 | P | A | -0.7750 | |
| 128 | P | A | -0.7218 | |
| 129 | G | A | -0.4301 | |
| 130 | P | A | 0.1210 | |
| 131 | L | A | 0.9355 | |
| 132 | S | A | -0.2928 | |
| 133 | Q | A | -1.4946 | |
| 134 | H | A | -1.5963 | |
| 135 | P | A | -0.7711 | |
| 136 | P | A | 0.1419 | |
| 137 | V | A | 1.3008 | |
| 138 | P | A | 0.4121 | |
| 139 | P | A | 0.0959 | |
| 140 | A | A | 0.0720 | |
| 141 | A | A | -0.1258 | |
| 142 | A | A | 0.0100 | |
| 143 | G | A | -0.1375 | |
| 144 | P | A | 0.2482 | |
| 145 | L | A | 0.9934 | |
| 146 | A | A | 0.1153 | |
| 147 | G | A | -0.9485 | |
| 148 | Q | A | -2.0971 | |
| 149 | P | A | -2.3867 | |
| 150 | R | A | -3.3284 | |
| 151 | K | A | -3.0844 | |
| 152 | S | A | -1.8613 | |
| 153 | S | A | -1.8077 | |
| 154 | S | A | -1.7279 | |
| 155 | S | A | -1.9887 | |
| 156 | R | A | -3.2567 | |
| 157 | R | A | -3.4740 | |
| 158 | N | A | -2.0823 | |
| 159 | A | A | -0.7621 | |
| 160 | W | A | -0.2525 | |
| 161 | G | A | -1.3778 | |
| 162 | N | A | -2.0413 | |
| 163 | L | A | -0.7612 | |
| 164 | S | A | -0.6008 | |
| 165 | Y | A | -0.4513 | |
| 166 | A | A | 0.0000 | |
| 167 | D | A | -0.8857 | |
| 168 | L | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | T | A | -1.4296 | |
| 171 | K | A | -2.0302 | |
| 172 | A | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | E | A | -3.0735 | |
| 175 | S | A | -1.9876 | |
| 176 | S | A | -2.0974 | |
| 177 | A | A | -1.7841 | |
| 178 | E | A | -3.0064 | |
| 179 | K | A | -3.3519 | |
| 180 | R | A | -2.0317 | |
| 181 | L | A | -1.0835 | |
| 182 | T | A | -0.3843 | |
| 183 | L | A | -0.2615 | |
| 184 | S | A | -0.6996 | |
| 185 | Q | A | -1.0541 | |
| 186 | I | A | 0.0000 | |
| 187 | Y | A | -1.0364 | |
| 188 | E | A | -2.6704 | |
| 189 | W | A | -1.6944 | |
| 190 | M | A | 0.0000 | |
| 191 | V | A | -2.5310 | |
| 192 | K | A | -2.4626 | |
| 193 | S | A | -1.4447 | |
| 194 | V | A | 0.0000 | |
| 195 | P | A | -0.9205 | |
| 196 | Y | A | -0.1705 | |
| 197 | F | A | 0.0000 | |
| 198 | K | A | -3.4569 | |
| 199 | D | A | -3.2074 | |
| 200 | K | A | -2.9773 | |
| 201 | G | A | -3.0448 | |
| 202 | D | A | -3.1868 | |
| 203 | S | A | -2.2050 | |
| 204 | N | A | -2.0331 | |
| 205 | S | A | -1.3923 | |
| 206 | S | A | 0.0000 | |
| 207 | A | A | -1.1459 | |
| 208 | G | A | -1.1596 | |
| 209 | W | A | 0.0000 | |
| 210 | K | A | -1.4289 | |
| 211 | N | A | -2.1164 | |
| 212 | S | A | -1.4383 | |
| 213 | I | A | 0.0000 | |
| 214 | R | A | -1.5837 | |
| 215 | H | A | -1.4462 | |
| 216 | N | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | S | A | -0.3710 | |
| 219 | L | A | 0.7560 | |
| 220 | H | A | -0.0689 | |
| 221 | S | A | -0.6976 | |
| 222 | K | A | -1.1362 | |
| 223 | F | A | 0.0000 | |
| 224 | I | A | -0.4031 | |
| 225 | R | A | -1.4861 | |
| 226 | V | A | -0.9244 | |
| 227 | Q | A | -2.0854 | |
| 228 | N | A | -2.2422 | |
| 229 | E | A | -2.5428 | |
| 230 | G | A | -1.9502 | |
| 231 | T | A | -1.5231 | |
| 232 | G | A | -1.7651 | |
| 233 | K | A | -2.5941 | |
| 234 | S | A | -1.4683 | |
| 235 | S | A | -1.4367 | |
| 236 | W | A | -1.0283 | |
| 237 | W | A | -0.4786 | |
| 238 | M | A | -0.9208 | |
| 239 | L | A | -1.0868 | |
| 240 | N | A | -1.3434 | |
| 241 | P | A | -1.6137 | |
| 242 | E | A | -2.6901 | |
| 243 | G | A | -2.2401 | |
| 244 | G | A | -2.4095 | |
| 245 | K | A | -3.0677 | |
| 246 | S | A | -2.5368 | |
| 247 | G | A | -2.2163 | |
| 248 | K | A | -2.6993 | |
| 249 | S | A | -2.0459 | |
| 250 | P | A | -2.6384 | |
| 251 | R | A | -3.7244 | |
| 252 | R | A | -3.7147 | |
| 253 | R | A | -3.2585 | |
| 254 | A | A | -1.4945 | |
| 255 | A | A | -0.7588 | |
| 256 | S | A | -0.6379 | |
| 257 | M | A | -0.4268 | |
| 258 | D | A | -2.3658 | |
| 259 | N | A | -2.7746 | |
| 260 | N | A | -2.6878 | |
| 261 | S | A | -1.7259 | |
| 262 | K | A | -1.6722 | |
| 263 | F | A | 0.2859 | |
| 264 | A | A | -0.5155 | |
| 265 | K | A | -1.8370 | |
| 266 | S | A | -1.8783 | |
| 267 | R | A | -2.8967 | |
| 268 | S | A | -2.3717 | |
| 269 | R | A | -2.3689 | |
| 270 | A | A | -1.5723 | |
| 271 | A | A | -1.5231 | |
| 272 | K | A | -2.9129 | |
| 273 | K | A | -3.3207 | |
| 274 | K | A | -2.9517 | |
| 275 | A | A | -0.8803 | |
| 276 | S | A | 0.0973 | |
| 277 | L | A | 0.8298 | |
| 278 | Q | A | -0.7258 | |
| 279 | S | A | -1.0304 | |
| 280 | G | A | -1.8928 | |
| 281 | Q | A | -2.5661 | |
| 282 | E | A | -2.7793 | |
| 283 | G | A | -1.6512 | |
| 284 | A | A | -1.2009 | |
| 285 | G | A | -1.4318 | |
| 286 | D | A | -2.1721 | |
| 287 | S | A | -1.5265 | |
| 288 | P | A | -1.1311 | |
| 289 | G | A | -0.9834 | |
| 290 | S | A | -0.6552 | |
| 291 | Q | A | -0.5910 | |
| 292 | F | A | 0.7455 | |
| 293 | S | A | -0.2583 | |
| 294 | K | A | -0.9986 | |
| 295 | W | A | 0.1811 | |
| 296 | P | A | -0.1637 | |
| 297 | A | A | -0.0640 | |
| 298 | S | A | -0.4883 | |
| 299 | P | A | -0.7551 | |
| 300 | G | A | -0.9512 | |
| 301 | S | A | -1.1699 | |
| 302 | H | A | -1.6104 | |
| 303 | S | A | -2.0710 | |
| 304 | N | A | -2.8976 | |
| 305 | D | A | -3.0225 | |
| 306 | D | A | -2.7483 | |
| 307 | F | A | -0.3850 | |
| 308 | D | A | -1.8690 | |
| 309 | N | A | -1.4751 | |
| 310 | W | A | 0.4452 | |
| 311 | S | A | -0.1287 | |
| 312 | T | A | 0.1482 | |
| 313 | F | A | 0.7911 | |
| 314 | R | A | -1.6243 | |
| 315 | P | A | -1.5881 | |
| 316 | R | A | -2.3692 | |
| 317 | T | A | -1.6215 | |
| 318 | S | A | -1.2892 | |
| 319 | S | A | -1.2513 | |
| 320 | N | A | -1.5008 | |
| 321 | A | A | -0.4719 | |
| 322 | S | A | -0.1277 | |
| 323 | T | A | 0.5209 | |
| 324 | I | A | 1.4502 | |
| 325 | S | A | 0.2547 | |
| 326 | G | A | -0.6831 | |
| 327 | R | A | -1.1283 | |
| 328 | L | A | 0.4111 | |
| 329 | S | A | 0.5489 | |
| 330 | P | A | 1.0301 | |
| 331 | I | A | 2.3074 | |
| 332 | M | A | 1.2925 | |
| 333 | T | A | -0.4870 | |
| 334 | E | A | -2.6352 | |
| 335 | Q | A | -3.2479 | |
| 336 | D | A | -3.5761 | |
| 337 | D | A | -2.6989 | |
| 338 | L | A | -0.2530 | |
| 339 | G | A | -1.3096 | |
| 340 | E | A | -2.3566 | |
| 341 | G | A | -2.0484 | |
| 342 | D | A | -1.7517 | |
| 343 | V | A | 0.3014 | |
| 344 | H | A | -0.3410 | |
| 345 | S | A | 0.5807 | |
| 346 | M | A | 1.8110 | |
| 347 | V | A | 2.8077 | |
| 348 | Y | A | 2.1711 | |
| 349 | P | A | 0.6434 | |
| 350 | P | A | -0.2074 | |
| 351 | S | A | -0.3421 | |
| 352 | A | A | -0.4045 | |
| 353 | A | A | -0.5577 | |
| 354 | K | A | -1.1501 | |
| 355 | M | A | 0.2459 | |
| 356 | A | A | 0.1236 | |
| 357 | S | A | 0.3314 | |
| 358 | T | A | 0.5182 | |
| 359 | L | A | 1.2951 | |
| 360 | P | A | 0.7338 | |
| 361 | S | A | 0.7228 | |
| 362 | L | A | 0.9347 | |
| 363 | S | A | -0.0042 | |
| 364 | E | A | -0.7037 | |
| 365 | I | A | 0.7121 | |
| 366 | S | A | -0.1842 | |
| 367 | N | A | -1.4705 | |
| 368 | P | A | -1.9449 | |
| 369 | E | A | -2.8612 | |
| 370 | N | A | -2.3727 | |
| 371 | M | A | -0.9343 | |
| 372 | E | A | -2.0339 | |
| 373 | N | A | -1.3857 | |
| 374 | L | A | 0.8281 | |
| 375 | L | A | 0.5793 | |
| 376 | D | A | -1.3534 | |
| 377 | N | A | -0.8310 | |
| 378 | L | A | 0.9536 | |
| 379 | N | A | 0.1410 | |
| 380 | L | A | 1.6188 | |
| 381 | L | A | 2.0180 | |
| 382 | S | A | 0.6123 | |
| 383 | S | A | 0.1164 | |
| 384 | P | A | -0.2951 | |
| 385 | T | A | -0.0602 | |
| 386 | S | A | 0.4294 | |
| 387 | L | A | 1.8071 | |
| 388 | T | A | 1.4939 | |
| 389 | V | A | 1.9776 | |
| 390 | S | A | 0.3613 | |
| 391 | T | A | -0.4831 | |
| 392 | Q | A | -1.4252 | |
| 393 | S | A | -0.9596 | |
| 394 | S | A | -0.7856 | |
| 395 | P | A | -0.6380 | |
| 396 | G | A | -0.4368 | |
| 397 | T | A | 0.4635 | |
| 398 | M | A | 1.1651 | |
| 399 | M | A | 0.6041 | |
| 400 | Q | A | -0.9821 | |
| 401 | Q | A | -1.6262 | |
| 402 | T | A | -0.8893 | |
| 403 | P | A | 0.0480 | |
| 404 | C | A | 1.1965 | |
| 405 | Y | A | 1.9434 | |
| 406 | S | A | 1.5156 | |
| 407 | F | A | 2.0642 | |
| 408 | A | A | 0.6404 | |
| 409 | P | A | -0.1774 | |
| 410 | P | A | -0.7621 | |
| 411 | N | A | -1.5241 | |
| 412 | T | A | -0.5325 | |
| 413 | S | A | -0.0581 | |
| 414 | L | A | 0.7767 | |
| 415 | N | A | -0.7559 | |
| 416 | S | A | -0.7882 | |
| 417 | P | A | -0.7941 | |
| 418 | S | A | -0.7821 | |
| 419 | P | A | -0.7435 | |
| 420 | N | A | -1.0510 | |
| 421 | Y | A | -0.2721 | |
| 422 | Q | A | -1.4001 | |
| 423 | K | A | -1.4190 | |
| 424 | Y | A | 0.4638 | |
| 425 | T | A | 0.7097 | |
| 426 | Y | A | 1.0372 | |
| 427 | G | A | -0.3592 | |
| 428 | Q | A | -1.3033 | |
| 429 | S | A | -0.7734 | |
| 430 | S | A | -0.1322 | |
| 431 | M | A | 0.7522 | |
| 432 | S | A | 0.4231 | |
| 433 | P | A | 0.5135 | |
| 434 | L | A | 0.9836 | |
| 435 | P | A | 0.2136 | |
| 436 | Q | A | -0.5359 | |
| 437 | M | A | 0.6849 | |
| 438 | P | A | 0.6829 | |
| 439 | I | A | 1.4181 | |
| 440 | Q | A | 0.1269 | |
| 441 | T | A | 0.2800 | |
| 442 | L | A | 0.2560 | |
| 443 | Q | A | -1.4909 | |
| 444 | D | A | -3.0530 | |
| 445 | N | A | -3.2645 | |
| 446 | K | A | -2.8700 | |
| 447 | S | A | -1.1449 | |
| 448 | S | A | -0.2065 | |
| 449 | Y | A | 0.8058 | |
| 450 | G | A | 0.1802 | |
| 451 | G | A | -0.0804 | |
| 452 | M | A | 0.3747 | |
| 453 | S | A | -0.2715 | |
| 454 | Q | A | -0.7985 | |
| 455 | Y | A | 0.2118 | |
| 456 | N | A | -0.5926 | |
| 457 | C | A | 0.3125 | |
| 458 | A | A | 0.0741 | |
| 459 | P | A | 0.3211 | |
| 460 | G | A | 0.1809 | |
| 461 | L | A | 1.3801 | |
| 462 | L | A | 1.5188 | |
| 463 | K | A | -0.5914 | |
| 464 | E | A | -0.7674 | |
| 465 | L | A | 1.5080 | |
| 466 | L | A | 1.2054 | |
| 467 | T | A | -0.2050 | |
| 468 | S | A | -0.7672 | |
| 469 | D | A | -1.8781 | |
| 470 | S | A | -1.4191 | |
| 471 | P | A | -1.2431 | |
| 472 | P | A | -1.6259 | |
| 473 | H | A | -2.0400 | |
| 474 | N | A | -2.1119 | |
| 475 | D | A | -1.4580 | |
| 476 | I | A | 1.2337 | |
| 477 | M | A | 1.3820 | |
| 478 | T | A | 0.9040 | |
| 479 | P | A | 0.3753 | |
| 480 | V | A | 0.5887 | |
| 481 | D | A | -1.0757 | |
| 482 | P | A | -0.5739 | |
| 483 | G | A | -0.0680 | |
| 484 | V | A | 1.2423 | |
| 485 | A | A | 0.2305 | |
| 486 | Q | A | -1.1030 | |
| 487 | P | A | -1.4701 | |
| 488 | N | A | -2.1256 | |
| 489 | S | A | -1.4878 | |
| 490 | R | A | -0.9139 | |
| 491 | V | A | 1.3837 | |
| 492 | L | A | 1.5010 | |
| 493 | G | A | -0.3220 | |
| 494 | Q | A | -1.3994 | |
| 495 | N | A | -0.8493 | |
| 496 | V | A | 1.6016 | |
| 497 | M | A | 2.0899 | |
| 498 | M | A | 1.6011 | |
| 499 | G | A | -0.1752 | |
| 500 | P | A | -0.9287 | |
| 501 | N | A | -1.2253 | |
| 502 | S | A | 0.3268 | |
| 503 | V | A | 1.8472 | |
| 504 | M | A | 1.7206 | |
| 505 | S | A | 0.9456 | |
| 506 | T | A | 0.5985 | |
| 507 | Y | A | 0.9776 | |
| 508 | G | A | -0.1764 | |
| 509 | S | A | -0.7351 | |
| 510 | Q | A | -1.3981 | |
| 511 | A | A | -0.8983 | |
| 512 | S | A | -1.1852 | |
| 513 | H | A | -2.0376 | |
| 514 | N | A | -2.4968 | |
| 515 | K | A | -1.8675 | |
| 516 | M | A | 0.3065 | |
| 517 | M | A | 0.6420 | |
| 518 | N | A | -0.7147 | |
| 519 | P | A | -0.8844 | |
| 520 | S | A | -0.9230 | |
| 521 | S | A | -0.8703 | |
| 522 | H | A | -1.3900 | |
| 523 | T | A | -1.2092 | |
| 524 | H | A | -1.4572 | |
| 525 | P | A | -1.1622 | |
| 526 | G | A | -1.2468 | |
| 527 | H | A | -1.4579 | |
| 528 | A | A | -1.3079 | |
| 529 | Q | A | -1.9438 | |
| 530 | Q | A | -1.8463 | |
| 531 | T | A | -1.0508 | |
| 532 | S | A | -0.0135 | |
| 533 | A | A | 0.6062 | |
| 534 | V | A | 1.0338 | |
| 535 | N | A | -1.1348 | |
| 536 | G | A | -1.5892 | |
| 537 | R | A | -2.1155 | |
| 538 | P | A | -0.7892 | |
| 539 | L | A | 0.6165 | |
| 540 | P | A | -0.0508 | |
| 541 | H | A | -0.5036 | |
| 542 | T | A | 0.1996 | |
| 543 | V | A | 1.4141 | |
| 544 | S | A | 0.8758 | |
| 545 | T | A | 0.6805 | |
| 546 | M | A | 0.5912 | |
| 547 | P | A | -0.2109 | |
| 548 | H | A | -0.9809 | |
| 549 | T | A | -0.7082 | |
| 550 | S | A | -0.5094 | |
| 551 | G | A | -0.4587 | |
| 552 | M | A | -0.2731 | |
| 553 | N | A | -1.5326 | |
| 554 | R | A | -1.5896 | |
| 555 | L | A | 0.1245 | |
| 556 | T | A | 0.0751 | |
| 557 | Q | A | -0.3888 | |
| 558 | V | A | 0.3171 | |
| 559 | K | A | -1.1265 | |
| 560 | T | A | -0.3003 | |
| 561 | P | A | -0.0403 | |
| 562 | V | A | 1.4004 | |
| 563 | Q | A | 0.4294 | |
| 564 | V | A | 1.7694 | |
| 565 | P | A | 1.0816 | |
| 566 | L | A | 1.4307 | |
| 567 | P | A | 0.0283 | |
| 568 | H | A | -0.6941 | |
| 569 | P | A | -0.6014 | |
| 570 | M | A | 0.2914 | |
| 571 | Q | A | -0.2010 | |
| 572 | M | A | 0.6001 | |
| 573 | S | A | 0.4135 | |
| 574 | A | A | 0.8153 | |
| 575 | L | A | 1.1934 | |
| 576 | G | A | 0.3884 | |
| 577 | G | A | 0.1955 | |
| 578 | Y | A | 0.8349 | |
| 579 | S | A | 0.6149 | |
| 580 | S | A | 0.7248 | |
| 581 | V | A | 1.4652 | |
| 582 | S | A | 0.5412 | |
| 583 | S | A | 0.0534 | |
| 584 | C | A | -0.1167 | |
| 585 | N | A | -0.9107 | |
| 586 | G | A | -0.3576 | |
| 587 | Y | A | 0.2658 | |
| 588 | G | A | -0.7880 | |
| 589 | R | A | -1.4109 | |
| 590 | M | A | 0.3762 | |
| 591 | G | A | 0.6289 | |
| 592 | L | A | 2.0280 | |
| 593 | L | A | 1.3766 | |
| 594 | H | A | -1.2285 | |
| 595 | Q | A | -2.3109 | |
| 596 | E | A | -2.9015 | |
| 597 | K | A | -2.3844 | |
| 598 | L | A | -0.3663 | |
| 599 | P | A | -0.8043 | |
| 600 | S | A | -1.1129 | |
| 601 | D | A | -1.5698 | |
| 602 | L | A | -0.0417 | |
| 603 | D | A | -1.3993 | |
| 604 | G | A | -0.2421 | |
| 605 | M | A | 1.0505 | |
| 606 | F | A | 2.0903 | |
| 607 | I | A | 1.7395 | |
| 608 | E | A | -0.9970 | |
| 609 | R | A | -1.1177 | |
| 610 | L | A | 0.2092 | |
| 611 | D | A | -1.7882 | |
| 612 | C | A | -0.7789 | |
| 613 | D | A | -1.9476 | |
| 614 | M | A | -1.2108 | |
| 615 | E | A | -2.0369 | |
| 616 | S | A | -1.6712 | |
| 617 | I | A | -0.7694 | |
| 618 | I | A | -0.8002 | |
| 619 | R | A | -2.5805 | |
| 620 | N | A | -2.6515 | |
| 621 | D | A | -2.1396 | |
| 622 | L | A | -0.3098 | |
| 623 | M | A | -0.6464 | |
| 624 | D | A | -2.6994 | |
| 625 | G | A | -2.2181 | |
| 626 | D | A | -2.2111 | |
| 627 | T | A | -0.8092 | |
| 628 | L | A | 0.5308 | |
| 629 | D | A | -0.4868 | |
| 630 | F | A | 1.1782 | |
| 631 | N | A | -0.5456 | |
| 632 | F | A | 0.6692 | |
| 633 | D | A | -0.9876 | |
| 634 | N | A | -0.5722 | |
| 635 | V | A | 1.4914 | |
| 636 | L | A | 1.2497 | |
| 637 | P | A | -0.1722 | |
| 638 | N | A | -1.2201 | |
| 639 | Q | A | -1.3350 | |
| 640 | S | A | -0.3624 | |
| 641 | F | A | 1.0330 | |
| 642 | P | A | 0.2932 | |
| 643 | H | A | -0.4890 | |
| 644 | S | A | -0.1392 | |
| 645 | V | A | 0.5456 | |
| 646 | K | A | -1.0658 | |
| 647 | T | A | -0.6834 | |
| 648 | T | A | -0.7293 | |
| 649 | T | A | -0.7665 | |
| 650 | H | A | -0.5810 | |
| 651 | S | A | 0.3473 | |
| 652 | W | A | 1.5413 | |
| 653 | V | A | 1.9426 | |
| 654 | S | A | 0.7095 | |
| 655 | G | A | -0.0025 |
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 | 0.1154 | 5.6489 | View | CSV | PDB |
| 4.5 | 0.0492 | 5.4942 | View | CSV | PDB |
| 5.0 | -0.0313 | 5.4942 | View | CSV | PDB |
| 5.5 | -0.1109 | 5.4942 | View | CSV | PDB |
| 6.0 | -0.1743 | 5.4942 | View | CSV | PDB |
| 6.5 | -0.2131 | 5.4942 | View | CSV | PDB |
| 7.0 | -0.2311 | 5.4942 | View | CSV | PDB |
| 7.5 | -0.2384 | 5.4942 | View | CSV | PDB |
| 8.0 | -0.2407 | 5.4942 | View | CSV | PDB |
| 8.5 | -0.2369 | 5.4942 | View | CSV | PDB |
| 9.0 | -0.2233 | 5.4942 | 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