| Chain sequence(s) |
A: MVSVGSKSLPSRRHRTIEEDSLMGERGKSSNNHSERNKGMRRKDHKGNRGFDVDSSKKNQSGGAPNVKPASKKHSEFEHQNQFVRKEIDPETSKYFSEIANLFDSNEVELEERSVICGNALEETRGREYEIATDYIISHVLQTLLEGCELDQLCSFIRNSASVFPAIAMDRSGSHVAESALKSLATHLENPDAYSVIEEALHSICKVIVDNPLDMMCNCYGSHVLRRLLCLCKGVSLDSPELYGAKSSKALAKRLNLKMSQLDDNNLEIPHQGFPGMLTYLLSGLLSCSREDMKYLQVDQYSSLVLQTALRLMLKQDEQLLEIIPLILRCNSTNKKVEGFHIETNVAKEILESMKDNSFSHLVEVILEVAPESLYNEMFNKVFKNSLFELSVDRCANFVIQALISHARDQEQMGIMWEELAPRFKDLLEQGKSGVVASLIAVSQRLQSHENKCCEALVGAVCSTNESRISILPRLLFLDYYFGCRDKSTWEWAPGAKMHVMGCLILQGIFKFSSDHIQPYITSLTSMKAEYITETAKDSSGARVIEAFLASDAATKQKRRLIIKLRGHFGELSLHTSGSFTVEKCFDACNLTLREAIASELLDVKVDLSKTKQGPYLLRKLDIDGYASRPDQWKSRQEAKQSTYNEFCSAFGSNKSNFPKNTFVSDASEDAAQEIEVKNTRKEIDHHPTSGFKRHREKHAKDKDEPFAGEKRSKQKKNKTSEATDKPKLAGSKRPFLSGEMTGKNRHSNKMRI
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:18)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/688451d07a0481b/tmp/folded.pdb (00:11:18)
[INFO] Main: Simulation completed successfully. (00:14:47)
|
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 | 1.8536 | |
| 2 | V | A | 2.5682 | |
| 3 | S | A | 1.5662 | |
| 4 | V | A | 1.6157 | |
| 5 | G | A | -0.0760 | |
| 6 | S | A | -0.6587 | |
| 7 | K | A | -1.4457 | |
| 8 | S | A | -0.4973 | |
| 9 | L | A | 0.5433 | |
| 10 | P | A | -0.6044 | |
| 11 | S | A | -1.4866 | |
| 12 | R | A | -3.2414 | |
| 13 | R | A | -3.7911 | |
| 14 | H | A | -3.0917 | |
| 15 | R | A | -2.7915 | |
| 16 | T | A | -1.1008 | |
| 17 | I | A | -0.1827 | |
| 18 | E | A | -2.3578 | |
| 19 | E | A | -3.1456 | |
| 20 | D | A | -2.6220 | |
| 21 | S | A | -0.5179 | |
| 22 | L | A | 1.4925 | |
| 23 | M | A | 1.1397 | |
| 24 | G | A | -1.1247 | |
| 25 | E | A | -2.8365 | |
| 26 | R | A | -3.4343 | |
| 27 | G | A | -2.8063 | |
| 28 | K | A | -2.4700 | |
| 29 | S | A | -1.6109 | |
| 30 | S | A | -1.6254 | |
| 31 | N | A | -2.2786 | |
| 32 | N | A | -2.4939 | |
| 33 | H | A | -2.3621 | |
| 34 | S | A | -2.2791 | |
| 35 | E | A | -3.3069 | |
| 36 | R | A | -3.7846 | |
| 37 | N | A | -3.5327 | |
| 38 | K | A | -2.6856 | |
| 39 | G | A | -1.4022 | |
| 40 | M | A | -0.9899 | |
| 41 | R | A | -3.0090 | |
| 42 | R | A | -3.8838 | |
| 43 | K | A | -4.0819 | |
| 44 | D | A | -4.1948 | |
| 45 | H | A | -3.6080 | |
| 46 | K | A | -3.4075 | |
| 47 | G | A | -2.9038 | |
| 48 | N | A | -3.0787 | |
| 49 | R | A | -2.5385 | |
| 50 | G | A | -0.9297 | |
| 51 | F | A | 0.7911 | |
| 52 | D | A | -0.5516 | |
| 53 | V | A | 0.2815 | |
| 54 | D | A | -1.5010 | |
| 55 | S | A | -1.4164 | |
| 56 | S | A | -1.8811 | |
| 57 | K | A | -3.1168 | |
| 58 | K | A | -3.4824 | |
| 59 | N | A | -3.2162 | |
| 60 | Q | A | -2.5847 | |
| 61 | S | A | -1.6374 | |
| 62 | G | A | -1.1739 | |
| 63 | G | A | -0.9498 | |
| 64 | A | A | -0.4807 | |
| 65 | P | A | -0.6683 | |
| 66 | N | A | -1.0983 | |
| 67 | V | A | 0.2144 | |
| 68 | K | A | -1.3658 | |
| 69 | P | A | -1.0694 | |
| 70 | A | A | -1.0762 | |
| 71 | S | A | -1.9175 | |
| 72 | K | A | -2.9907 | |
| 73 | K | A | -3.3720 | |
| 74 | H | A | -2.6383 | |
| 75 | S | A | -1.9811 | |
| 76 | E | A | -2.1177 | |
| 77 | F | A | -0.5106 | |
| 78 | E | A | -2.3922 | |
| 79 | H | A | -2.7628 | |
| 80 | Q | A | -2.6776 | |
| 81 | N | A | -2.3636 | |
| 82 | Q | A | -1.3603 | |
| 83 | F | A | 0.3744 | |
| 84 | V | A | 0.6927 | |
| 85 | R | A | -1.0992 | |
| 86 | K | A | -2.4698 | |
| 87 | E | A | -2.6552 | |
| 88 | I | A | -1.8735 | |
| 89 | D | A | -2.0281 | |
| 90 | P | A | -1.9988 | |
| 91 | E | A | -2.6008 | |
| 92 | T | A | 0.0000 | |
| 93 | S | A | -1.4856 | |
| 94 | K | A | -2.7975 | |
| 95 | Y | A | -1.7099 | |
| 96 | F | A | 0.0000 | |
| 97 | S | A | -1.5476 | |
| 98 | E | A | -2.5344 | |
| 99 | I | A | -1.2158 | |
| 100 | A | A | -1.7123 | |
| 101 | N | A | -2.5065 | |
| 102 | L | A | -1.8481 | |
| 103 | F | A | 0.0000 | |
| 104 | D | A | -3.0184 | |
| 105 | S | A | -2.4113 | |
| 106 | N | A | -2.9865 | |
| 107 | E | A | -2.8586 | |
| 108 | V | A | -2.4033 | |
| 109 | E | A | -2.7577 | |
| 110 | L | A | -0.8682 | |
| 111 | E | A | -2.2246 | |
| 112 | E | A | -2.0166 | |
| 113 | R | A | -1.6036 | |
| 114 | S | A | -1.0188 | |
| 115 | V | A | 0.3396 | |
| 116 | I | A | 0.2039 | |
| 117 | C | A | 0.0000 | |
| 118 | G | A | 0.0000 | |
| 119 | N | A | -1.5999 | |
| 120 | A | A | 0.0000 | |
| 121 | L | A | 0.0000 | |
| 122 | E | A | -3.4321 | |
| 123 | E | A | -3.3246 | |
| 124 | T | A | 0.0000 | |
| 125 | R | A | -3.4854 | |
| 126 | G | A | -2.3778 | |
| 127 | R | A | -2.4438 | |
| 128 | E | A | 0.0000 | |
| 129 | Y | A | -0.5081 | |
| 130 | E | A | -1.0499 | |
| 131 | I | A | 0.0000 | |
| 132 | A | A | 0.0000 | |
| 133 | T | A | 0.0000 | |
| 134 | D | A | 0.0000 | |
| 135 | Y | A | 1.8229 | |
| 136 | I | A | 2.3339 | |
| 137 | I | A | 0.0000 | |
| 138 | S | A | 0.0000 | |
| 139 | H | A | -0.3972 | |
| 140 | V | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | Q | A | -1.1958 | |
| 143 | T | A | -0.7551 | |
| 144 | L | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | E | A | -1.7123 | |
| 147 | G | A | -0.8851 | |
| 148 | C | A | 0.0000 | |
| 149 | E | A | -2.4538 | |
| 150 | L | A | -1.6168 | |
| 151 | D | A | -2.3100 | |
| 152 | Q | A | -2.1368 | |
| 153 | L | A | 0.0000 | |
| 154 | C | A | 0.0000 | |
| 155 | S | A | -1.9881 | |
| 156 | F | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | R | A | -2.7328 | |
| 159 | N | A | -2.7074 | |
| 160 | S | A | 0.0000 | |
| 161 | A | A | -1.1289 | |
| 162 | S | A | -0.6559 | |
| 163 | V | A | 0.0573 | |
| 164 | F | A | 0.0000 | |
| 165 | P | A | -0.2652 | |
| 166 | A | A | 0.1652 | |
| 167 | I | A | 0.0000 | |
| 168 | A | A | 0.0000 | |
| 169 | M | A | -0.5185 | |
| 170 | D | A | -0.9533 | |
| 171 | R | A | -1.7059 | |
| 172 | S | A | -0.7016 | |
| 173 | G | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | H | A | -1.5956 | |
| 176 | V | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | E | A | -0.9713 | |
| 179 | S | A | 0.0000 | |
| 180 | A | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | K | A | -1.4691 | |
| 183 | S | A | 0.0000 | |
| 184 | L | A | 0.0000 | |
| 185 | A | A | -0.5719 | |
| 186 | T | A | -0.9344 | |
| 187 | H | A | -1.5881 | |
| 188 | L | A | 0.0000 | |
| 189 | E | A | -2.6416 | |
| 190 | N | A | -2.4373 | |
| 191 | P | A | -1.9482 | |
| 192 | D | A | -2.2661 | |
| 193 | A | A | 0.0000 | |
| 194 | Y | A | -1.0141 | |
| 195 | S | A | -0.7845 | |
| 196 | V | A | -0.6895 | |
| 197 | I | A | 0.0000 | |
| 198 | E | A | -1.4931 | |
| 199 | E | A | -2.1423 | |
| 200 | A | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | H | A | -1.7181 | |
| 203 | S | A | -1.7359 | |
| 204 | I | A | 0.0000 | |
| 205 | C | A | 0.0000 | |
| 206 | K | A | -1.6841 | |
| 207 | V | A | -1.0862 | |
| 208 | I | A | 0.0000 | |
| 209 | V | A | -1.1474 | |
| 210 | D | A | -2.3789 | |
| 211 | N | A | -2.3450 | |
| 212 | P | A | 0.0000 | |
| 213 | L | A | -1.1651 | |
| 214 | D | A | -1.8332 | |
| 215 | M | A | 0.0000 | |
| 216 | M | A | 0.0000 | |
| 217 | C | A | -0.1377 | |
| 218 | N | A | -0.3342 | |
| 219 | C | A | -0.0394 | |
| 220 | Y | A | -0.0946 | |
| 221 | G | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | H | A | -0.4168 | |
| 224 | V | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | R | A | 0.0000 | |
| 227 | R | A | -0.6941 | |
| 228 | L | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | C | A | 0.0000 | |
| 231 | L | A | 0.0000 | |
| 232 | C | A | 0.0000 | |
| 233 | K | A | -1.0696 | |
| 234 | G | A | -0.7520 | |
| 235 | V | A | -0.0109 | |
| 236 | S | A | -0.2955 | |
| 237 | L | A | 0.5229 | |
| 238 | D | A | -1.2351 | |
| 239 | S | A | -0.6016 | |
| 240 | P | A | -0.9823 | |
| 241 | E | A | -1.4513 | |
| 242 | L | A | -0.4365 | |
| 243 | Y | A | -0.6130 | |
| 244 | G | A | -0.6728 | |
| 245 | A | A | -1.0012 | |
| 246 | K | A | -2.0602 | |
| 247 | S | A | -1.7008 | |
| 248 | S | A | -1.4573 | |
| 249 | K | A | -2.4245 | |
| 250 | A | A | -1.5753 | |
| 251 | L | A | -1.0182 | |
| 252 | A | A | -1.2821 | |
| 253 | K | A | -1.8646 | |
| 254 | R | A | -1.1023 | |
| 255 | L | A | 0.0000 | |
| 256 | N | A | -1.1579 | |
| 257 | L | A | 0.0000 | |
| 258 | K | A | -1.5444 | |
| 259 | M | A | 0.0931 | |
| 260 | S | A | -0.7355 | |
| 261 | Q | A | -1.9804 | |
| 262 | L | A | -1.0011 | |
| 263 | D | A | -2.8082 | |
| 264 | D | A | -3.2870 | |
| 265 | N | A | -2.6035 | |
| 266 | N | A | -2.2027 | |
| 267 | L | A | -0.5408 | |
| 268 | E | A | -0.9311 | |
| 269 | I | A | 0.8785 | |
| 270 | P | A | 0.0316 | |
| 271 | H | A | -1.1010 | |
| 272 | Q | A | -1.2610 | |
| 273 | G | A | 0.0000 | |
| 274 | F | A | 0.0000 | |
| 275 | P | A | -0.8246 | |
| 276 | G | A | -0.6764 | |
| 277 | M | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | T | A | -0.1734 | |
| 280 | Y | A | 0.0671 | |
| 281 | L | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | S | A | -0.1601 | |
| 284 | G | A | -0.5258 | |
| 285 | L | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | S | A | -0.4141 | |
| 288 | C | A | -1.0720 | |
| 289 | S | A | -2.1718 | |
| 290 | R | A | -3.3778 | |
| 291 | E | A | -3.5059 | |
| 292 | D | A | -2.5368 | |
| 293 | M | A | 0.0000 | |
| 294 | K | A | -2.4052 | |
| 295 | Y | A | -0.2694 | |
| 296 | L | A | 0.0000 | |
| 297 | Q | A | 0.0000 | |
| 298 | V | A | 0.3293 | |
| 299 | D | A | 0.0601 | |
| 300 | Q | A | -0.1460 | |
| 301 | Y | A | 0.3829 | |
| 302 | S | A | 0.0000 | |
| 303 | S | A | 0.0000 | |
| 304 | L | A | 0.1567 | |
| 305 | V | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | Q | A | 0.0000 | |
| 308 | T | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | R | A | -0.3181 | |
| 312 | L | A | 0.0000 | |
| 313 | M | A | 0.0000 | |
| 314 | L | A | -0.7828 | |
| 315 | K | A | -2.6225 | |
| 316 | Q | A | -2.7939 | |
| 317 | D | A | -3.8801 | |
| 318 | E | A | -3.5172 | |
| 319 | Q | A | -2.4901 | |
| 320 | L | A | 0.0000 | |
| 321 | L | A | -1.6806 | |
| 322 | E | A | -2.4153 | |
| 323 | I | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | P | A | 0.0000 | |
| 326 | L | A | -0.7199 | |
| 327 | I | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | R | A | -1.6127 | |
| 330 | C | A | 0.0000 | |
| 331 | N | A | -2.3065 | |
| 332 | S | A | -2.1365 | |
| 333 | T | A | -1.5053 | |
| 334 | N | A | -2.6329 | |
| 335 | K | A | -3.2545 | |
| 336 | K | A | -2.7979 | |
| 337 | V | A | -1.3719 | |
| 338 | E | A | -2.3151 | |
| 339 | G | A | -1.3554 | |
| 340 | F | A | -0.7510 | |
| 341 | H | A | -1.2718 | |
| 342 | I | A | 0.0000 | |
| 343 | E | A | -2.8550 | |
| 344 | T | A | -2.3513 | |
| 345 | N | A | -2.7066 | |
| 346 | V | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | K | A | -3.4477 | |
| 349 | E | A | -2.9961 | |
| 350 | I | A | 0.0000 | |
| 351 | L | A | -1.9722 | |
| 352 | E | A | -2.8936 | |
| 353 | S | A | -2.0724 | |
| 354 | M | A | 0.0000 | |
| 355 | K | A | -2.5231 | |
| 356 | D | A | -2.0247 | |
| 357 | N | A | -1.7035 | |
| 358 | S | A | 0.0000 | |
| 359 | F | A | 0.0000 | |
| 360 | S | A | 0.0000 | |
| 361 | H | A | -0.4000 | |
| 362 | L | A | 0.0000 | |
| 363 | V | A | 0.0000 | |
| 364 | E | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | E | A | -0.1701 | |
| 369 | V | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | P | A | -2.0117 | |
| 372 | E | A | -2.4111 | |
| 373 | S | A | -1.2456 | |
| 374 | L | A | 0.0000 | |
| 375 | Y | A | 0.0000 | |
| 376 | N | A | -1.4131 | |
| 377 | E | A | -1.0951 | |
| 378 | M | A | 0.0000 | |
| 379 | F | A | 0.0000 | |
| 380 | N | A | -1.4133 | |
| 381 | K | A | -1.9540 | |
| 382 | V | A | 0.0000 | |
| 383 | F | A | 0.0000 | |
| 384 | K | A | -1.5240 | |
| 385 | N | A | -2.1478 | |
| 386 | S | A | -1.3231 | |
| 387 | L | A | 0.0000 | |
| 388 | F | A | -1.3171 | |
| 389 | E | A | -1.8218 | |
| 390 | L | A | 0.0000 | |
| 391 | S | A | 0.0000 | |
| 392 | V | A | -0.9530 | |
| 393 | D | A | -1.5895 | |
| 394 | R | A | -2.2870 | |
| 395 | C | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | N | A | 0.0000 | |
| 398 | F | A | 0.4820 | |
| 399 | V | A | 0.0000 | |
| 400 | I | A | 0.0000 | |
| 401 | Q | A | 0.0000 | |
| 402 | A | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | I | A | 0.0000 | |
| 405 | S | A | 0.0000 | |
| 406 | H | A | -0.7263 | |
| 407 | A | A | 0.0000 | |
| 408 | R | A | -2.0722 | |
| 409 | D | A | -2.4950 | |
| 410 | Q | A | -2.7534 | |
| 411 | E | A | -2.6618 | |
| 412 | Q | A | 0.0000 | |
| 413 | M | A | 0.0000 | |
| 414 | G | A | -1.5032 | |
| 415 | I | A | -1.3211 | |
| 416 | M | A | 0.0000 | |
| 417 | W | A | -1.3176 | |
| 418 | E | A | -2.0714 | |
| 419 | E | A | -1.7611 | |
| 420 | L | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | P | A | -1.2328 | |
| 423 | R | A | -1.6592 | |
| 424 | F | A | 0.0000 | |
| 425 | K | A | -1.9134 | |
| 426 | D | A | -2.0302 | |
| 427 | L | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | E | A | -3.0635 | |
| 430 | Q | A | -2.4028 | |
| 431 | G | A | -1.9494 | |
| 432 | K | A | -1.2127 | |
| 433 | S | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | V | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | S | A | 0.0000 | |
| 439 | L | A | 0.0000 | |
| 440 | I | A | 0.0000 | |
| 441 | A | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | Q | A | -1.3014 | |
| 445 | R | A | -1.2875 | |
| 446 | L | A | -1.4313 | |
| 447 | Q | A | -1.8519 | |
| 448 | S | A | -1.8178 | |
| 449 | H | A | -1.5471 | |
| 450 | E | A | -1.8325 | |
| 451 | N | A | -2.4616 | |
| 452 | K | A | -2.2986 | |
| 453 | C | A | 0.0000 | |
| 454 | C | A | 0.0000 | |
| 455 | E | A | -1.5425 | |
| 456 | A | A | -1.1750 | |
| 457 | L | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | G | A | -0.9432 | |
| 460 | A | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | C | A | 0.0000 | |
| 463 | S | A | -1.0645 | |
| 464 | T | A | -1.4143 | |
| 465 | N | A | -2.2073 | |
| 466 | E | A | -2.3058 | |
| 467 | S | A | -1.4688 | |
| 468 | R | A | -0.9568 | |
| 469 | I | A | 0.5284 | |
| 470 | S | A | -0.1379 | |
| 471 | I | A | 0.0000 | |
| 472 | L | A | 0.0000 | |
| 473 | P | A | 0.0000 | |
| 474 | R | A | 0.0000 | |
| 475 | L | A | 0.0000 | |
| 476 | L | A | 0.0000 | |
| 477 | F | A | 0.0000 | |
| 478 | L | A | 0.0000 | |
| 479 | D | A | -1.6320 | |
| 480 | Y | A | -0.5986 | |
| 481 | Y | A | 0.0000 | |
| 482 | F | A | -1.5525 | |
| 483 | G | A | -1.4928 | |
| 484 | C | A | -1.4858 | |
| 485 | R | A | -2.5136 | |
| 486 | D | A | -2.4301 | |
| 487 | K | A | -1.8217 | |
| 488 | S | A | -1.3479 | |
| 489 | T | A | -1.2714 | |
| 490 | W | A | -1.4232 | |
| 491 | E | A | -1.8510 | |
| 492 | W | A | 0.0000 | |
| 493 | A | A | -0.6397 | |
| 494 | P | A | -1.1392 | |
| 495 | G | A | -1.1513 | |
| 496 | A | A | -1.1289 | |
| 497 | K | A | -1.8313 | |
| 498 | M | A | 0.0000 | |
| 499 | H | A | 0.0387 | |
| 500 | V | A | 1.3634 | |
| 501 | M | A | 0.7729 | |
| 502 | G | A | 0.0000 | |
| 503 | C | A | 0.0000 | |
| 504 | L | A | 0.5755 | |
| 505 | I | A | 0.0000 | |
| 506 | L | A | 0.0000 | |
| 507 | Q | A | 0.0000 | |
| 508 | G | A | -0.3484 | |
| 509 | I | A | 0.0000 | |
| 510 | F | A | 0.0000 | |
| 511 | K | A | -0.9769 | |
| 512 | F | A | 0.0000 | |
| 513 | S | A | -1.5462 | |
| 514 | S | A | -1.6584 | |
| 515 | D | A | -2.4162 | |
| 516 | H | A | -2.0220 | |
| 517 | I | A | 0.0000 | |
| 518 | Q | A | -1.2915 | |
| 519 | P | A | -0.5234 | |
| 520 | Y | A | 0.0000 | |
| 521 | I | A | 0.0000 | |
| 522 | T | A | -0.0824 | |
| 523 | S | A | 0.0000 | |
| 524 | L | A | 0.0000 | |
| 525 | T | A | 0.0000 | |
| 526 | S | A | -0.4049 | |
| 527 | M | A | 0.0000 | |
| 528 | K | A | -1.9177 | |
| 529 | A | A | -1.7842 | |
| 530 | E | A | -2.3829 | |
| 531 | Y | A | -1.4907 | |
| 532 | I | A | 0.0000 | |
| 533 | T | A | 0.0000 | |
| 534 | E | A | -1.5598 | |
| 535 | T | A | 0.0000 | |
| 536 | A | A | 0.0000 | |
| 537 | K | A | -1.5708 | |
| 538 | D | A | -1.4558 | |
| 539 | S | A | -0.8070 | |
| 540 | S | A | -0.3611 | |
| 541 | G | A | 0.0000 | |
| 542 | A | A | 0.0000 | |
| 543 | R | A | -0.7766 | |
| 544 | V | A | 0.0000 | |
| 545 | I | A | 0.0000 | |
| 546 | E | A | 0.0000 | |
| 547 | A | A | 0.0000 | |
| 548 | F | A | 0.0000 | |
| 549 | L | A | 0.0000 | |
| 550 | A | A | -0.8043 | |
| 551 | S | A | 0.0000 | |
| 552 | D | A | -1.8024 | |
| 553 | A | A | 0.0000 | |
| 554 | A | A | -1.1135 | |
| 555 | T | A | -1.7067 | |
| 556 | K | A | -2.6074 | |
| 557 | Q | A | -1.6751 | |
| 558 | K | A | 0.0000 | |
| 559 | R | A | -1.8087 | |
| 560 | R | A | -1.9239 | |
| 561 | L | A | 0.0000 | |
| 562 | I | A | 0.0000 | |
| 563 | I | A | -0.6726 | |
| 564 | K | A | -1.5144 | |
| 565 | L | A | 0.0000 | |
| 566 | R | A | -1.9872 | |
| 567 | G | A | -1.7082 | |
| 568 | H | A | -1.9634 | |
| 569 | F | A | 0.0000 | |
| 570 | G | A | 0.0000 | |
| 571 | E | A | -1.4581 | |
| 572 | L | A | 0.0000 | |
| 573 | S | A | 0.0000 | |
| 574 | L | A | -0.9714 | |
| 575 | H | A | -0.6278 | |
| 576 | T | A | -0.3691 | |
| 577 | S | A | -0.0660 | |
| 578 | G | A | 0.0000 | |
| 579 | S | A | 0.0000 | |
| 580 | F | A | 1.2828 | |
| 581 | T | A | 0.0000 | |
| 582 | V | A | 0.0000 | |
| 583 | E | A | 0.0320 | |
| 584 | K | A | -0.2311 | |
| 585 | C | A | 0.0000 | |
| 586 | F | A | 0.0000 | |
| 587 | D | A | -0.8634 | |
| 588 | A | A | 0.0000 | |
| 589 | C | A | 0.0000 | |
| 590 | N | A | 0.0000 | |
| 591 | L | A | -0.9087 | |
| 592 | T | A | -0.4374 | |
| 593 | L | A | 0.0000 | |
| 594 | R | A | 0.0000 | |
| 595 | E | A | -0.8602 | |
| 596 | A | A | -0.7370 | |
| 597 | I | A | 0.0000 | |
| 598 | A | A | 0.0000 | |
| 599 | S | A | -0.7746 | |
| 600 | E | A | -1.5023 | |
| 601 | L | A | 0.0000 | |
| 602 | L | A | -0.5986 | |
| 603 | D | A | -1.6301 | |
| 604 | V | A | -0.9212 | |
| 605 | K | A | -0.8604 | |
| 606 | V | A | 0.1376 | |
| 607 | D | A | -1.7132 | |
| 608 | L | A | 0.0000 | |
| 609 | S | A | -1.1252 | |
| 610 | K | A | -2.4205 | |
| 611 | T | A | -1.8049 | |
| 612 | K | A | -2.1136 | |
| 613 | Q | A | -0.8616 | |
| 614 | G | A | 0.0000 | |
| 615 | P | A | -0.8693 | |
| 616 | Y | A | 0.0101 | |
| 617 | L | A | 0.0000 | |
| 618 | L | A | -1.2039 | |
| 619 | R | A | -2.2410 | |
| 620 | K | A | -1.5113 | |
| 621 | L | A | 0.0000 | |
| 622 | D | A | -1.9378 | |
| 623 | I | A | 0.0000 | |
| 624 | D | A | -2.5935 | |
| 625 | G | A | -2.6722 | |
| 626 | Y | A | 0.0000 | |
| 627 | A | A | -1.4025 | |
| 628 | S | A | -1.9946 | |
| 629 | R | A | -3.3134 | |
| 630 | P | A | -3.0134 | |
| 631 | D | A | -3.5525 | |
| 632 | Q | A | -3.4511 | |
| 633 | W | A | 0.0000 | |
| 634 | K | A | -3.0939 | |
| 635 | S | A | -2.9270 | |
| 636 | R | A | -3.4810 | |
| 637 | Q | A | 0.0000 | |
| 638 | E | A | -2.7149 | |
| 639 | A | A | -2.1402 | |
| 640 | K | A | -2.3486 | |
| 641 | Q | A | -1.9147 | |
| 642 | S | A | -1.6945 | |
| 643 | T | A | -1.2440 | |
| 644 | Y | A | -1.0665 | |
| 645 | N | A | -1.6228 | |
| 646 | E | A | -1.6274 | |
| 647 | F | A | 0.4017 | |
| 648 | C | A | 0.0642 | |
| 649 | S | A | -0.2352 | |
| 650 | A | A | 0.5656 | |
| 651 | F | A | 1.5538 | |
| 652 | G | A | -0.4628 | |
| 653 | S | A | -0.9929 | |
| 654 | N | A | -2.2657 | |
| 655 | K | A | -2.7538 | |
| 656 | S | A | -1.7900 | |
| 657 | N | A | -1.9086 | |
| 658 | F | A | -0.8824 | |
| 659 | P | A | -0.9557 | |
| 660 | K | A | -1.6688 | |
| 661 | N | A | -1.3110 | |
| 662 | T | A | -1.0190 | |
| 663 | F | A | 0.0000 | |
| 664 | V | A | 0.0000 | |
| 665 | S | A | -1.4898 | |
| 666 | D | A | -2.3070 | |
| 667 | A | A | -1.8412 | |
| 668 | S | A | -2.1238 | |
| 669 | E | A | -3.1502 | |
| 670 | D | A | -3.2375 | |
| 671 | A | A | -1.8702 | |
| 672 | A | A | -1.8084 | |
| 673 | Q | A | -2.2901 | |
| 674 | E | A | -2.0507 | |
| 675 | I | A | -0.1293 | |
| 676 | E | A | -1.5534 | |
| 677 | V | A | -0.3216 | |
| 678 | K | A | -2.0950 | |
| 679 | N | A | -2.4598 | |
| 680 | T | A | -2.4865 | |
| 681 | R | A | -3.4506 | |
| 682 | K | A | -3.4186 | |
| 683 | E | A | -2.4615 | |
| 684 | I | A | -0.6276 | |
| 685 | D | A | -2.1353 | |
| 686 | H | A | -2.1524 | |
| 687 | H | A | -1.9801 | |
| 688 | P | A | -1.1682 | |
| 689 | T | A | -0.4459 | |
| 690 | S | A | -0.3079 | |
| 691 | G | A | -0.0309 | |
| 692 | F | A | 0.4443 | |
| 693 | K | A | -1.9366 | |
| 694 | R | A | -3.1953 | |
| 695 | H | A | -3.8776 | |
| 696 | R | A | -4.0744 | |
| 697 | E | A | -4.1037 | |
| 698 | K | A | -3.6940 | |
| 699 | H | A | -2.5106 | |
| 700 | A | A | -2.0207 | |
| 701 | K | A | -3.2001 | |
| 702 | D | A | -3.8633 | |
| 703 | K | A | -4.2614 | |
| 704 | D | A | -4.0775 | |
| 705 | E | A | -2.8855 | |
| 706 | P | A | -0.5258 | |
| 707 | F | A | 1.3825 | |
| 708 | A | A | 0.3057 | |
| 709 | G | A | -1.2532 | |
| 710 | E | A | -3.2265 | |
| 711 | K | A | -3.7388 | |
| 712 | R | A | -3.6099 | |
| 713 | S | A | -2.5028 | |
| 714 | K | A | -3.0355 | |
| 715 | Q | A | -3.2198 | |
| 716 | K | A | -3.7739 | |
| 717 | K | A | -3.8975 | |
| 718 | N | A | -3.4176 | |
| 719 | K | A | -2.7256 | |
| 720 | T | A | -1.7769 | |
| 721 | S | A | -1.6109 | |
| 722 | E | A | -1.9338 | |
| 723 | A | A | -1.2424 | |
| 724 | T | A | -1.6545 | |
| 725 | D | A | -2.8027 | |
| 726 | K | A | -3.1262 | |
| 727 | P | A | -1.8948 | |
| 728 | K | A | -1.2368 | |
| 729 | L | A | 0.4594 | |
| 730 | A | A | 0.1583 | |
| 731 | G | A | -0.5494 | |
| 732 | S | A | -1.6410 | |
| 733 | K | A | -2.8578 | |
| 734 | R | A | -2.4421 | |
| 735 | P | A | -0.2068 | |
| 736 | F | A | 2.1343 | |
| 737 | L | A | 2.2292 | |
| 738 | S | A | 0.3439 | |
| 739 | G | A | -0.8966 | |
| 740 | E | A | -1.5826 | |
| 741 | M | A | -0.1273 | |
| 742 | T | A | -0.5947 | |
| 743 | G | A | -1.3475 | |
| 744 | K | A | -2.9728 | |
| 745 | N | A | -3.3526 | |
| 746 | R | A | -3.3965 | |
| 747 | H | A | -2.8093 | |
| 748 | S | A | -2.1248 | |
| 749 | N | A | -2.5256 | |
| 750 | K | A | -2.2998 | |
| 751 | M | A | -0.4814 | |
| 752 | R | A | -0.8473 | |
| 753 | I | A | 1.1594 |
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 | -1.1485 | 5.229 | View | CSV | PDB |
| 4.5 | -1.2333 | 5.1853 | View | CSV | PDB |
| 5.0 | -1.3369 | 5.1142 | View | CSV | PDB |
| 5.5 | -1.4373 | 5.0261 | View | CSV | PDB |
| 6.0 | -1.5115 | 4.9354 | View | CSV | PDB |
| 6.5 | -1.545 | 4.8851 | View | CSV | PDB |
| 7.0 | -1.5398 | 4.8851 | View | CSV | PDB |
| 7.5 | -1.5094 | 4.8851 | View | CSV | PDB |
| 8.0 | -1.4656 | 4.8851 | View | CSV | PDB |
| 8.5 | -1.4123 | 4.8851 | View | CSV | PDB |
| 9.0 | -1.3489 | 4.8851 | 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