| Chain sequence(s) |
A: KEQFRETDVAKKISHICFGMKSPEEMRQQAHIQVVSKNLYSQDNQHAPLLYGVLDHRMGTSEKDRPCETCGKNLADCLGHYGYIDLELPCFHVGYFRAVIGILQMICKTCCHIMLSQEEKKQFLDYLKRPGLTYLQKRGLKKKISDKCRKKNICHHCGAFNGTVKKCGLLKIIHEKYKTNKKVVDPIVSNFLQSFETAIEHNKEVEPLLGRAQENLNPLVVLNLFKRIPAEDVPLLLMNPEAGKPSDLILTRLLVPPLCIRPSVVNEDDLTMKLTEIIFLNDVIKKHRISGAKTQMIMEDWDFLQLQCALYINSELSGIPLNMAPKKWTRGFVQRLKGKQGRFRGNLSGKRVDFSGRTVISPDPNLRIDEVAVPVHVAKILTFPEKVNKANINFLRKLVQNGPEVHPGANFIQQRHTQMKRFLKYGNREKMAQELKYGDIVERHLIDGDVVLFNRQPSLHKLSIMAHLARVKPHRTFRFNECVCTPYNADFDGDEMNLHLPQTEEAKAEALVLMGTKANLVTPRNGEPLIAAIQDFLTGAYLLTLKDTFFDRAKACQIIASILVGKDEKIKVRLPPPTILKPVTLWTGKQIFSVILRPSDDNPVRANLRTKGKQYCGKGEDLCANDSYVTIQNSELMSGSMDKGTLGSGSKNNIFYILLRDWGQNEAADAMSRLARLAPVYLSNRGFSIGIGDVTPGQGLLKAKYELLNAGYKKCDEYIEALNTGKLQQQPGCTAEETLEALILKELSVIRDHAGSACLRELDKSNSPLTMALCGSKGSFINISQMIACVGQQAISGSRVPDGFENRSLPHFEKHSKLPAAKGFVANSFYSGLTPTEFFFHTMAGREGLVDTAVKTAETGYMQR
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 globular. Max 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 (00:15:59)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b915c15ec70da19/tmp/folded.pdb (00:15:59)
[INFO] Main: Simulation completed successfully. (00:20:16)
|
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 |
|---|---|---|---|---|
| 3 | K | A | -2.6531 | |
| 4 | E | A | -3.0192 | |
| 5 | Q | A | -2.2542 | |
| 6 | F | A | -0.6172 | |
| 7 | R | A | -2.3803 | |
| 8 | E | A | -2.5816 | |
| 9 | T | A | -1.6524 | |
| 10 | D | A | -1.6263 | |
| 11 | V | A | -0.0956 | |
| 12 | A | A | -0.6941 | |
| 13 | K | A | -1.7916 | |
| 14 | K | A | -1.4728 | |
| 15 | I | A | 0.7314 | |
| 16 | S | A | 0.1359 | |
| 17 | H | A | 0.6247 | |
| 18 | I | A | 2.6265 | |
| 19 | C | A | 2.2816 | |
| 20 | F | A | 2.5477 | |
| 21 | G | A | 0.2967 | |
| 22 | M | A | -0.4919 | |
| 23 | K | A | -1.6207 | |
| 24 | S | A | -1.7718 | |
| 25 | P | A | -2.0882 | |
| 26 | E | A | -3.4845 | |
| 27 | E | A | -3.4481 | |
| 28 | M | A | -2.8086 | |
| 29 | R | A | -3.8028 | |
| 30 | Q | A | -3.4810 | |
| 31 | Q | A | -2.8805 | |
| 32 | A | A | -1.9641 | |
| 33 | H | A | -1.9152 | |
| 34 | I | A | 0.0000 | |
| 35 | Q | A | -0.0939 | |
| 36 | V | A | 0.0000 | |
| 37 | V | A | 1.4908 | |
| 38 | S | A | 0.5351 | |
| 39 | K | A | -1.1073 | |
| 40 | N | A | -1.3022 | |
| 41 | L | A | -0.4575 | |
| 42 | Y | A | -1.0015 | |
| 43 | S | A | -1.6005 | |
| 44 | Q | A | -2.6851 | |
| 45 | D | A | -3.3334 | |
| 46 | N | A | -3.1601 | |
| 47 | Q | A | -2.9471 | |
| 48 | H | A | -2.4821 | |
| 49 | A | A | -1.1984 | |
| 50 | P | A | 0.0489 | |
| 51 | L | A | 0.8695 | |
| 52 | L | A | 2.3648 | |
| 53 | Y | A | 1.9896 | |
| 54 | G | A | 0.0000 | |
| 55 | V | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | H | A | -0.7528 | |
| 59 | R | A | -1.0299 | |
| 60 | M | A | 0.0000 | |
| 61 | G | A | 0.0000 | |
| 62 | T | A | 0.0000 | |
| 63 | S | A | -0.5676 | |
| 64 | E | A | -1.9066 | |
| 65 | K | A | -3.2132 | |
| 66 | D | A | -3.3171 | |
| 67 | R | A | -2.9885 | |
| 68 | P | A | -2.7107 | |
| 69 | C | A | 0.0000 | |
| 70 | E | A | -2.2812 | |
| 71 | T | A | -0.9877 | |
| 72 | C | A | -0.7809 | |
| 73 | G | A | -1.7078 | |
| 74 | K | A | -2.9729 | |
| 75 | N | A | -3.4594 | |
| 76 | L | A | -1.8502 | |
| 77 | A | A | -1.3304 | |
| 78 | D | A | -1.9672 | |
| 79 | C | A | -0.5557 | |
| 80 | L | A | 1.2471 | |
| 81 | G | A | 0.4818 | |
| 82 | H | A | -0.5324 | |
| 83 | Y | A | -0.4369 | |
| 84 | G | A | 0.0000 | |
| 85 | Y | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | D | A | -1.0358 | |
| 88 | L | A | 0.0000 | |
| 89 | E | A | -1.5622 | |
| 90 | L | A | -0.4416 | |
| 91 | P | A | -0.0877 | |
| 92 | C | A | 0.0000 | |
| 93 | F | A | 0.0000 | |
| 94 | H | A | -0.1806 | |
| 95 | V | A | -0.0033 | |
| 96 | G | A | -0.1710 | |
| 97 | Y | A | -0.1722 | |
| 98 | F | A | 0.0000 | |
| 99 | R | A | -1.8315 | |
| 100 | A | A | -0.7237 | |
| 101 | V | A | 0.0000 | |
| 102 | I | A | -1.0163 | |
| 103 | G | A | -1.0413 | |
| 104 | I | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | Q | A | -0.8205 | |
| 107 | M | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | C | A | 0.0000 | |
| 110 | K | A | 0.0000 | |
| 111 | T | A | 0.0807 | |
| 112 | C | A | -0.3438 | |
| 113 | C | A | 0.0000 | |
| 114 | H | A | -0.9098 | |
| 115 | I | A | 0.0000 | |
| 116 | M | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | S | A | -2.2531 | |
| 119 | Q | A | -3.1244 | |
| 120 | E | A | -3.6820 | |
| 121 | E | A | -3.1707 | |
| 122 | K | A | -2.9020 | |
| 123 | K | A | -3.8371 | |
| 124 | Q | A | -3.1880 | |
| 125 | F | A | 0.0000 | |
| 126 | L | A | -2.1746 | |
| 127 | D | A | -2.9329 | |
| 128 | Y | A | -1.4711 | |
| 129 | L | A | -1.5251 | |
| 130 | K | A | -2.7944 | |
| 131 | R | A | -2.8502 | |
| 132 | P | A | -1.5799 | |
| 133 | G | A | -1.0091 | |
| 134 | L | A | -0.4186 | |
| 135 | T | A | 0.3578 | |
| 136 | Y | A | 1.0010 | |
| 137 | L | A | 0.9263 | |
| 138 | Q | A | -0.6088 | |
| 139 | K | A | -1.5651 | |
| 140 | R | A | -2.3811 | |
| 141 | G | A | -2.0848 | |
| 142 | L | A | 0.0000 | |
| 143 | K | A | -2.8690 | |
| 144 | K | A | -3.5494 | |
| 145 | K | A | -3.2795 | |
| 146 | I | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | D | A | -2.8084 | |
| 149 | K | A | -2.6016 | |
| 150 | C | A | 0.0000 | |
| 151 | R | A | -2.9371 | |
| 152 | K | A | -3.0058 | |
| 153 | K | A | -2.1398 | |
| 154 | N | A | -1.5712 | |
| 155 | I | A | -0.1073 | |
| 156 | C | A | 0.0000 | |
| 157 | H | A | -1.5651 | |
| 158 | H | A | -1.3120 | |
| 159 | C | A | -0.3975 | |
| 160 | G | A | -0.5843 | |
| 161 | A | A | 0.1611 | |
| 162 | F | A | 0.3947 | |
| 163 | N | A | 0.0000 | |
| 164 | G | A | -1.3257 | |
| 165 | T | A | -1.4471 | |
| 166 | V | A | 0.0000 | |
| 167 | K | A | -2.5038 | |
| 168 | K | A | -2.4113 | |
| 169 | C | A | -1.0055 | |
| 170 | G | A | -0.9456 | |
| 171 | L | A | -0.4336 | |
| 172 | L | A | 0.0000 | |
| 173 | K | A | -1.8701 | |
| 174 | I | A | 0.0000 | |
| 175 | I | A | -1.5120 | |
| 176 | H | A | 0.0000 | |
| 177 | E | A | -2.3256 | |
| 178 | K | A | -1.1535 | |
| 179 | Y | A | -1.0211 | |
| 180 | K | A | -2.4534 | |
| 181 | T | A | -1.8416 | |
| 182 | N | A | -2.5247 | |
| 183 | K | A | -2.4616 | |
| 184 | K | A | -1.8589 | |
| 185 | V | A | 0.7203 | |
| 186 | V | A | 0.9577 | |
| 187 | D | A | -0.6827 | |
| 188 | P | A | 0.2614 | |
| 189 | I | A | 1.4176 | |
| 190 | V | A | 0.0000 | |
| 191 | S | A | -0.1656 | |
| 192 | N | A | -1.0590 | |
| 193 | F | A | 0.0984 | |
| 194 | L | A | -0.4635 | |
| 195 | Q | A | -1.6309 | |
| 196 | S | A | -1.2128 | |
| 197 | F | A | -1.2807 | |
| 198 | E | A | -2.5857 | |
| 199 | T | A | -1.8754 | |
| 200 | A | A | -1.9516 | |
| 201 | I | A | -2.5590 | |
| 202 | E | A | -3.1824 | |
| 203 | H | A | -2.8653 | |
| 204 | N | A | -3.1816 | |
| 205 | K | A | -3.5427 | |
| 206 | E | A | -2.7435 | |
| 207 | V | A | -1.8284 | |
| 208 | E | A | -2.6535 | |
| 209 | P | A | -1.5308 | |
| 210 | L | A | -0.7757 | |
| 211 | L | A | -0.7411 | |
| 212 | G | A | -1.3572 | |
| 213 | R | A | -2.0847 | |
| 214 | A | A | -1.2532 | |
| 215 | Q | A | -1.7360 | |
| 216 | E | A | -1.4533 | |
| 217 | N | A | -1.7146 | |
| 218 | L | A | 0.0000 | |
| 219 | N | A | -0.6033 | |
| 220 | P | A | 0.0000 | |
| 221 | L | A | 0.7855 | |
| 222 | V | A | 0.5237 | |
| 223 | V | A | 0.0000 | |
| 224 | L | A | -0.5182 | |
| 225 | N | A | -1.2392 | |
| 226 | L | A | -1.0831 | |
| 227 | F | A | 0.0000 | |
| 228 | K | A | -2.9267 | |
| 229 | R | A | -2.8002 | |
| 230 | I | A | 0.0000 | |
| 231 | P | A | -1.4017 | |
| 232 | A | A | -1.4317 | |
| 233 | E | A | -1.8161 | |
| 234 | D | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | P | A | -0.5492 | |
| 237 | L | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | L | A | -0.5499 | |
| 240 | M | A | -1.0402 | |
| 241 | N | A | -1.9877 | |
| 242 | P | A | -2.0332 | |
| 243 | E | A | -2.4493 | |
| 244 | A | A | -1.1917 | |
| 245 | G | A | -1.3874 | |
| 246 | K | A | -1.8525 | |
| 247 | P | A | 0.0000 | |
| 248 | S | A | -1.3516 | |
| 249 | D | A | -0.9994 | |
| 250 | L | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | T | A | -0.6176 | |
| 254 | R | A | -1.2691 | |
| 255 | L | A | 0.0000 | |
| 256 | L | A | -0.1871 | |
| 257 | V | A | 0.0000 | |
| 258 | P | A | 0.0000 | |
| 259 | P | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | C | A | 0.9946 | |
| 262 | I | A | 1.2487 | |
| 263 | R | A | 0.0000 | |
| 264 | P | A | 0.8801 | |
| 265 | S | A | 0.8362 | |
| 266 | V | A | 1.9887 | |
| 267 | V | A | 2.0813 | |
| 275 | N | A | -0.3603 | |
| 276 | E | A | 0.0405 | |
| 277 | D | A | -0.0124 | |
| 278 | D | A | -0.5436 | |
| 279 | L | A | 0.0000 | |
| 280 | T | A | 0.0000 | |
| 281 | M | A | -0.1783 | |
| 282 | K | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | T | A | -0.4667 | |
| 285 | E | A | -0.9277 | |
| 286 | I | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | F | A | -0.0313 | |
| 289 | L | A | -0.4810 | |
| 290 | N | A | 0.0000 | |
| 291 | D | A | -2.4003 | |
| 292 | V | A | -1.4927 | |
| 293 | I | A | 0.0000 | |
| 294 | K | A | -2.6982 | |
| 295 | K | A | -2.4887 | |
| 296 | H | A | -1.9458 | |
| 297 | R | A | -2.2614 | |
| 298 | I | A | 0.1232 | |
| 299 | S | A | -0.7320 | |
| 300 | G | A | -1.0054 | |
| 301 | A | A | -1.4405 | |
| 302 | K | A | -2.3420 | |
| 303 | T | A | -1.5303 | |
| 304 | Q | A | -1.6479 | |
| 305 | M | A | -1.0516 | |
| 306 | I | A | -1.0378 | |
| 307 | M | A | -0.4306 | |
| 308 | E | A | -1.1714 | |
| 309 | D | A | -0.4556 | |
| 310 | W | A | 0.0000 | |
| 311 | D | A | -0.8447 | |
| 312 | F | A | -0.1776 | |
| 313 | L | A | 0.0000 | |
| 314 | Q | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | Q | A | -0.3353 | |
| 317 | C | A | 0.0000 | |
| 318 | A | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | Y | A | 0.0000 | |
| 321 | I | A | 0.1075 | |
| 322 | N | A | -0.3849 | |
| 323 | S | A | -0.6024 | |
| 324 | E | A | -1.1466 | |
| 325 | L | A | -0.4720 | |
| 326 | S | A | -0.5026 | |
| 327 | G | A | -0.2554 | |
| 328 | I | A | 0.2160 | |
| 329 | P | A | 0.3916 | |
| 330 | L | A | 0.9390 | |
| 331 | N | A | -0.4478 | |
| 332 | M | A | -0.1903 | |
| 333 | A | A | -0.4447 | |
| 334 | P | A | -1.1998 | |
| 335 | K | A | -2.3494 | |
| 336 | K | A | -2.0142 | |
| 337 | W | A | -0.5895 | |
| 338 | T | A | -1.0488 | |
| 339 | R | A | -1.2821 | |
| 340 | G | A | 0.0000 | |
| 341 | F | A | 0.3104 | |
| 342 | V | A | -0.0843 | |
| 343 | Q | A | 0.0000 | |
| 344 | R | A | -1.4275 | |
| 345 | L | A | -1.3203 | |
| 346 | K | A | -2.1303 | |
| 347 | G | A | -2.6303 | |
| 348 | K | A | -3.3947 | |
| 349 | Q | A | -3.3684 | |
| 350 | G | A | -2.7683 | |
| 351 | R | A | -2.7328 | |
| 352 | F | A | -1.4533 | |
| 353 | R | A | -3.3051 | |
| 354 | G | A | -3.5383 | |
| 355 | N | A | -2.9643 | |
| 356 | L | A | -0.9761 | |
| 357 | S | A | -1.3425 | |
| 358 | G | A | -1.9905 | |
| 359 | K | A | -3.0125 | |
| 360 | R | A | -2.6779 | |
| 361 | V | A | -0.6600 | |
| 362 | D | A | -1.1581 | |
| 363 | F | A | 0.3805 | |
| 364 | S | A | -0.5386 | |
| 365 | G | A | -1.0315 | |
| 366 | R | A | -2.1161 | |
| 367 | T | A | -1.2734 | |
| 368 | V | A | -0.6568 | |
| 369 | I | A | 0.0000 | |
| 370 | S | A | -0.8246 | |
| 371 | P | A | -0.6223 | |
| 372 | D | A | -0.8104 | |
| 373 | P | A | -1.0993 | |
| 374 | N | A | -1.5682 | |
| 375 | L | A | 0.0000 | |
| 376 | R | A | -1.2006 | |
| 377 | I | A | 0.0000 | |
| 378 | D | A | 0.0000 | |
| 379 | E | A | -1.0245 | |
| 380 | V | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | P | A | 0.0000 | |
| 384 | V | A | -0.7156 | |
| 385 | H | A | -0.9425 | |
| 386 | V | A | 0.0000 | |
| 387 | A | A | 0.0000 | |
| 388 | K | A | 0.1347 | |
| 389 | I | A | 1.6794 | |
| 390 | L | A | 0.0000 | |
| 391 | T | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | P | A | -0.7286 | |
| 394 | E | A | -1.4305 | |
| 395 | K | A | -2.2199 | |
| 396 | V | A | 0.0000 | |
| 397 | N | A | -2.2599 | |
| 398 | K | A | -2.4426 | |
| 399 | A | A | -1.2097 | |
| 400 | N | A | -1.2905 | |
| 401 | I | A | -1.5450 | |
| 402 | N | A | -1.7684 | |
| 403 | F | A | -0.5569 | |
| 404 | L | A | 0.0000 | |
| 405 | R | A | -2.5091 | |
| 406 | K | A | -2.5408 | |
| 407 | L | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | Q | A | -2.5118 | |
| 410 | N | A | -1.2829 | |
| 411 | G | A | 0.0000 | |
| 412 | P | A | 0.0000 | |
| 413 | E | A | -1.3258 | |
| 414 | V | A | 0.5240 | |
| 415 | H | A | 0.0115 | |
| 416 | P | A | -0.5141 | |
| 417 | G | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | N | A | -0.2904 | |
| 420 | F | A | -0.1797 | |
| 421 | I | A | 0.0000 | |
| 422 | Q | A | -1.8450 | |
| 423 | Q | A | -2.6854 | |
| 424 | R | A | -2.6620 | |
| 425 | H | A | -2.1390 | |
| 426 | T | A | -1.7693 | |
| 427 | Q | A | -1.9184 | |
| 428 | M | A | -0.9970 | |
| 429 | K | A | -1.7675 | |
| 430 | R | A | -1.9129 | |
| 431 | F | A | -0.1215 | |
| 432 | L | A | 0.0000 | |
| 433 | K | A | -0.7879 | |
| 434 | Y | A | 0.2367 | |
| 435 | G | A | -1.3218 | |
| 436 | N | A | -2.5149 | |
| 437 | R | A | -2.9897 | |
| 438 | E | A | -3.9110 | |
| 439 | K | A | -3.8726 | |
| 440 | M | A | -3.0713 | |
| 441 | A | A | 0.0000 | |
| 442 | Q | A | -3.4045 | |
| 443 | E | A | -3.3911 | |
| 444 | L | A | 0.0000 | |
| 445 | K | A | -2.0263 | |
| 446 | Y | A | -1.0595 | |
| 447 | G | A | -1.4991 | |
| 448 | D | A | 0.0000 | |
| 449 | I | A | -1.1067 | |
| 450 | V | A | 0.0000 | |
| 451 | E | A | 0.0000 | |
| 452 | R | A | 0.0000 | |
| 453 | H | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | I | A | -0.6112 | |
| 456 | D | A | -1.6938 | |
| 457 | G | A | -1.1377 | |
| 458 | D | A | 0.0000 | |
| 459 | V | A | 0.0000 | |
| 460 | V | A | 0.0000 | |
| 461 | L | A | 0.1898 | |
| 462 | F | A | 0.0000 | |
| 463 | N | A | -0.9639 | |
| 464 | R | A | -1.5119 | |
| 465 | Q | A | -1.5530 | |
| 466 | P | A | -0.8382 | |
| 467 | S | A | -0.4611 | |
| 468 | L | A | 0.4636 | |
| 469 | H | A | -0.4183 | |
| 470 | K | A | -1.0868 | |
| 471 | L | A | 0.0000 | |
| 472 | S | A | 0.0000 | |
| 473 | I | A | -0.0598 | |
| 474 | M | A | 0.0000 | |
| 475 | A | A | 0.0000 | |
| 476 | H | A | 0.0000 | |
| 477 | L | A | -0.3496 | |
| 478 | A | A | 0.0000 | |
| 479 | R | A | -1.6910 | |
| 480 | V | A | -1.2227 | |
| 481 | K | A | -1.6135 | |
| 482 | P | A | -1.4359 | |
| 483 | H | A | -2.2034 | |
| 484 | R | A | -2.4477 | |
| 485 | T | A | -1.4332 | |
| 486 | F | A | 0.0000 | |
| 487 | R | A | 0.0000 | |
| 488 | F | A | 0.0000 | |
| 489 | N | A | 0.0000 | |
| 490 | E | A | -0.6765 | |
| 491 | C | A | 0.0000 | |
| 492 | V | A | 0.0000 | |
| 493 | C | A | -0.6550 | |
| 494 | T | A | -0.5822 | |
| 495 | P | A | 0.0000 | |
| 496 | Y | A | 0.0000 | |
| 497 | N | A | -1.5707 | |
| 498 | A | A | 0.0000 | |
| 499 | D | A | -2.7009 | |
| 500 | F | A | -1.7285 | |
| 501 | D | A | -2.4614 | |
| 502 | G | A | -1.6550 | |
| 503 | D | A | -1.7737 | |
| 504 | E | A | -1.9215 | |
| 505 | M | A | 0.0000 | |
| 506 | N | A | -1.4723 | |
| 507 | L | A | 0.0000 | |
| 508 | H | A | -0.5211 | |
| 509 | L | A | 0.0000 | |
| 510 | P | A | 0.0000 | |
| 511 | Q | A | -0.8829 | |
| 512 | T | A | -1.7051 | |
| 513 | E | A | -3.2973 | |
| 514 | E | A | -3.1886 | |
| 515 | A | A | -2.1064 | |
| 516 | K | A | -1.4701 | |
| 517 | A | A | -0.9797 | |
| 518 | E | A | -1.2295 | |
| 519 | A | A | 0.0000 | |
| 520 | L | A | 1.4784 | |
| 521 | V | A | 2.3514 | |
| 522 | L | A | 2.1599 | |
| 523 | M | A | 1.2153 | |
| 524 | G | A | 0.0000 | |
| 525 | T | A | 0.0000 | |
| 526 | K | A | -0.5343 | |
| 527 | A | A | 0.2856 | |
| 528 | N | A | 0.0484 | |
| 529 | L | A | 0.0000 | |
| 530 | V | A | -0.3873 | |
| 531 | T | A | 0.0000 | |
| 532 | P | A | -1.7916 | |
| 533 | R | A | -2.6741 | |
| 534 | N | A | -2.3925 | |
| 535 | G | A | -1.5827 | |
| 536 | E | A | -1.6536 | |
| 537 | P | A | 0.0000 | |
| 538 | L | A | 0.0716 | |
| 539 | I | A | 0.0000 | |
| 540 | A | A | 0.0000 | |
| 541 | A | A | 0.0000 | |
| 542 | I | A | -0.9712 | |
| 543 | Q | A | -2.1958 | |
| 544 | D | A | -2.3336 | |
| 545 | F | A | 0.0000 | |
| 546 | L | A | 0.0000 | |
| 547 | T | A | 0.0000 | |
| 548 | G | A | 0.0000 | |
| 549 | A | A | 0.0000 | |
| 550 | Y | A | -0.0904 | |
| 551 | L | A | 0.0000 | |
| 552 | L | A | 0.0000 | |
| 553 | T | A | 0.0000 | |
| 554 | L | A | -1.1673 | |
| 555 | K | A | -2.4862 | |
| 556 | D | A | -2.2989 | |
| 557 | T | A | -0.8015 | |
| 558 | F | A | -0.2025 | |
| 559 | F | A | 0.0000 | |
| 560 | D | A | -1.9762 | |
| 561 | R | A | -2.6198 | |
| 562 | A | A | -1.8779 | |
| 563 | K | A | -1.9947 | |
| 564 | A | A | 0.0000 | |
| 565 | C | A | -0.9781 | |
| 566 | Q | A | -1.5089 | |
| 567 | I | A | 0.0000 | |
| 568 | I | A | 0.0000 | |
| 569 | A | A | 0.0398 | |
| 570 | S | A | 0.0000 | |
| 571 | I | A | 0.0000 | |
| 572 | L | A | -0.2436 | |
| 573 | V | A | -0.0414 | |
| 574 | G | A | -1.4699 | |
| 575 | K | A | -2.3910 | |
| 576 | D | A | -1.9126 | |
| 577 | E | A | -2.6880 | |
| 578 | K | A | -2.8474 | |
| 579 | I | A | -2.3168 | |
| 580 | K | A | -2.7281 | |
| 581 | V | A | -1.4363 | |
| 582 | R | A | -2.2211 | |
| 583 | L | A | -0.7059 | |
| 584 | P | A | 0.0000 | |
| 585 | P | A | -0.1128 | |
| 586 | P | A | 0.0220 | |
| 587 | T | A | 0.6719 | |
| 588 | I | A | 1.3477 | |
| 589 | L | A | 1.3450 | |
| 590 | K | A | -0.4640 | |
| 591 | P | A | 0.1463 | |
| 592 | V | A | 1.1835 | |
| 593 | T | A | 0.4922 | |
| 594 | L | A | 0.2848 | |
| 595 | W | A | 0.0000 | |
| 596 | T | A | -0.2713 | |
| 597 | G | A | 0.0000 | |
| 598 | K | A | 0.0000 | |
| 599 | Q | A | -0.1369 | |
| 600 | I | A | 0.0000 | |
| 601 | F | A | 0.0000 | |
| 602 | S | A | 0.0000 | |
| 603 | V | A | 0.0000 | |
| 604 | I | A | 0.0000 | |
| 605 | L | A | 0.0000 | |
| 606 | R | A | -2.2562 | |
| 607 | P | A | 0.0000 | |
| 608 | S | A | 0.0000 | |
| 609 | D | A | -3.4195 | |
| 610 | D | A | -3.2657 | |
| 611 | N | A | -2.1764 | |
| 612 | P | A | -1.6816 | |
| 613 | V | A | 0.0000 | |
| 614 | R | A | -3.1603 | |
| 615 | A | A | 0.0000 | |
| 616 | N | A | -2.6377 | |
| 617 | L | A | 0.0000 | |
| 618 | R | A | -2.8392 | |
| 619 | T | A | -2.5808 | |
| 620 | K | A | -2.9628 | |
| 621 | G | A | -2.1418 | |
| 622 | K | A | -1.8206 | |
| 623 | Q | A | -1.1324 | |
| 624 | Y | A | -1.5324 | |
| 625 | C | A | -0.9808 | |
| 626 | G | A | -1.5870 | |
| 627 | K | A | -2.1477 | |
| 628 | G | A | -1.8488 | |
| 629 | E | A | -2.5649 | |
| 630 | D | A | -1.9225 | |
| 631 | L | A | -0.0125 | |
| 632 | C | A | -0.7031 | |
| 633 | A | A | -0.4629 | |
| 634 | N | A | -1.3414 | |
| 635 | D | A | -0.9867 | |
| 636 | S | A | 0.0000 | |
| 637 | Y | A | 0.0000 | |
| 638 | V | A | 0.0000 | |
| 639 | T | A | -1.4507 | |
| 640 | I | A | 0.0000 | |
| 641 | Q | A | -2.6665 | |
| 642 | N | A | -2.7562 | |
| 643 | S | A | 0.0000 | |
| 644 | E | A | -1.9946 | |
| 645 | L | A | 0.0000 | |
| 646 | M | A | 0.1503 | |
| 647 | S | A | -0.2863 | |
| 648 | G | A | 0.0000 | |
| 649 | S | A | 0.0000 | |
| 650 | M | A | 0.0000 | |
| 651 | D | A | 0.0000 | |
| 652 | K | A | -1.7702 | |
| 653 | G | A | -2.0465 | |
| 654 | T | A | 0.0000 | |
| 655 | L | A | 0.0000 | |
| 656 | G | A | 0.0000 | |
| 657 | S | A | -0.6273 | |
| 658 | G | A | -1.2663 | |
| 659 | S | A | -1.6620 | |
| 660 | K | A | -1.9153 | |
| 661 | N | A | -2.1001 | |
| 662 | N | A | 0.0000 | |
| 663 | I | A | 0.0000 | |
| 664 | F | A | 0.0000 | |
| 665 | Y | A | -0.9332 | |
| 666 | I | A | -1.0796 | |
| 667 | L | A | 0.0000 | |
| 668 | L | A | -1.5444 | |
| 669 | R | A | -2.5114 | |
| 670 | D | A | -2.8084 | |
| 671 | W | A | -1.6539 | |
| 672 | G | A | -1.6906 | |
| 673 | Q | A | -2.0844 | |
| 674 | N | A | -1.8409 | |
| 675 | E | A | -1.4292 | |
| 676 | A | A | 0.0000 | |
| 677 | A | A | 0.0000 | |
| 678 | D | A | 0.0000 | |
| 679 | A | A | 0.0000 | |
| 680 | M | A | 0.0000 | |
| 681 | S | A | 0.0000 | |
| 682 | R | A | 0.0000 | |
| 683 | L | A | 0.0000 | |
| 684 | A | A | 0.0000 | |
| 685 | R | A | -0.6633 | |
| 686 | L | A | 0.0000 | |
| 687 | A | A | 0.0000 | |
| 688 | P | A | -0.7891 | |
| 689 | V | A | -0.4360 | |
| 690 | Y | A | 0.0000 | |
| 691 | L | A | 0.0000 | |
| 692 | S | A | -1.3318 | |
| 693 | N | A | -1.9302 | |
| 694 | R | A | -1.9233 | |
| 695 | G | A | -1.2706 | |
| 696 | F | A | -0.1878 | |
| 697 | S | A | 0.5537 | |
| 698 | I | A | 1.8896 | |
| 699 | G | A | 1.2523 | |
| 700 | I | A | 2.0189 | |
| 701 | G | A | 0.5859 | |
| 702 | D | A | 0.2901 | |
| 703 | V | A | 0.9954 | |
| 704 | T | A | 0.4051 | |
| 705 | P | A | -0.2531 | |
| 706 | G | A | -0.9415 | |
| 707 | Q | A | -1.6697 | |
| 708 | G | A | -1.7208 | |
| 709 | L | A | 0.0000 | |
| 710 | L | A | -0.3512 | |
| 711 | K | A | -1.7016 | |
| 712 | A | A | -1.2591 | |
| 713 | K | A | -0.7676 | |
| 714 | Y | A | -0.1316 | |
| 715 | E | A | -1.7393 | |
| 716 | L | A | -0.9732 | |
| 717 | L | A | -0.7180 | |
| 718 | N | A | -1.8094 | |
| 719 | A | A | -1.6798 | |
| 720 | G | A | 0.0000 | |
| 721 | Y | A | -1.7454 | |
| 722 | K | A | -3.3313 | |
| 723 | K | A | -3.3331 | |
| 724 | C | A | 0.0000 | |
| 725 | D | A | -3.6366 | |
| 726 | E | A | -3.7965 | |
| 727 | Y | A | -2.5475 | |
| 728 | I | A | -2.5946 | |
| 729 | E | A | -3.4493 | |
| 730 | A | A | -2.4835 | |
| 731 | L | A | -2.3801 | |
| 732 | N | A | -2.2373 | |
| 733 | T | A | -1.6718 | |
| 734 | G | A | -2.0238 | |
| 735 | K | A | -2.6504 | |
| 736 | L | A | -2.2261 | |
| 737 | Q | A | -2.2280 | |
| 738 | Q | A | -2.7382 | |
| 739 | Q | A | -1.9060 | |
| 740 | P | A | -1.0801 | |
| 741 | G | A | -0.9554 | |
| 742 | C | A | -1.1713 | |
| 743 | T | A | -1.4886 | |
| 744 | A | A | -2.3699 | |
| 745 | E | A | -3.1134 | |
| 746 | E | A | -3.0674 | |
| 747 | T | A | 0.0000 | |
| 748 | L | A | 0.0000 | |
| 749 | E | A | -2.0725 | |
| 750 | A | A | -1.4377 | |
| 751 | L | A | -1.1712 | |
| 752 | I | A | 0.0000 | |
| 753 | L | A | -0.6211 | |
| 754 | K | A | -1.4910 | |
| 755 | E | A | -1.0771 | |
| 756 | L | A | 0.0000 | |
| 757 | S | A | -1.0124 | |
| 758 | V | A | -0.5853 | |
| 759 | I | A | 0.0000 | |
| 760 | R | A | -1.0592 | |
| 761 | D | A | -1.9232 | |
| 762 | H | A | -1.6581 | |
| 763 | A | A | 0.0000 | |
| 764 | G | A | 0.0000 | |
| 765 | S | A | -1.3910 | |
| 766 | A | A | 0.0000 | |
| 767 | C | A | 0.0000 | |
| 768 | L | A | -0.9946 | |
| 769 | R | A | -2.5454 | |
| 770 | E | A | -2.4050 | |
| 771 | L | A | -2.0038 | |
| 772 | D | A | -3.0765 | |
| 773 | K | A | -2.9162 | |
| 774 | S | A | -1.4463 | |
| 775 | N | A | 0.0000 | |
| 776 | S | A | 0.0000 | |
| 777 | P | A | 0.0000 | |
| 778 | L | A | 0.0000 | |
| 779 | T | A | 0.0000 | |
| 780 | M | A | -0.6703 | |
| 781 | A | A | 0.0000 | |
| 782 | L | A | -0.3408 | |
| 783 | C | A | 0.0000 | |
| 784 | G | A | -1.2193 | |
| 785 | S | A | -1.7996 | |
| 786 | K | A | -2.4105 | |
| 787 | G | A | -0.9337 | |
| 788 | S | A | 0.2152 | |
| 789 | F | A | 1.4728 | |
| 790 | I | A | 1.6862 | |
| 791 | N | A | 0.5376 | |
| 792 | I | A | 0.0000 | |
| 793 | S | A | 0.0000 | |
| 794 | Q | A | 0.5037 | |
| 795 | M | A | 0.8146 | |
| 796 | I | A | 0.0000 | |
| 797 | A | A | 0.0000 | |
| 798 | C | A | 0.0000 | |
| 799 | V | A | 0.0000 | |
| 800 | G | A | -0.3123 | |
| 801 | Q | A | -0.2545 | |
| 802 | Q | A | 0.0000 | |
| 803 | A | A | -0.3269 | |
| 804 | I | A | -0.6200 | |
| 805 | S | A | -0.5845 | |
| 806 | G | A | -0.5372 | |
| 807 | S | A | -0.4678 | |
| 808 | R | A | 0.0000 | |
| 809 | V | A | 0.0000 | |
| 810 | P | A | -1.3510 | |
| 811 | D | A | -2.7174 | |
| 812 | G | A | -1.3868 | |
| 813 | F | A | -0.8589 | |
| 814 | E | A | -2.6304 | |
| 815 | N | A | -3.3874 | |
| 816 | R | A | -3.2970 | |
| 817 | S | A | 0.0000 | |
| 818 | L | A | -1.1218 | |
| 819 | P | A | -1.2864 | |
| 820 | H | A | -1.5451 | |
| 821 | F | A | -1.7893 | |
| 822 | E | A | -3.1111 | |
| 823 | K | A | -3.4990 | |
| 824 | H | A | -3.0712 | |
| 825 | S | A | -1.8124 | |
| 826 | K | A | -1.4426 | |
| 827 | L | A | -0.3996 | |
| 828 | P | A | 0.0000 | |
| 829 | A | A | 0.0215 | |
| 830 | A | A | 0.0000 | |
| 831 | K | A | -0.7439 | |
| 832 | G | A | 0.0000 | |
| 833 | F | A | 0.0000 | |
| 834 | V | A | 0.0000 | |
| 835 | A | A | -0.0256 | |
| 836 | N | A | -0.1239 | |
| 837 | S | A | 0.0000 | |
| 838 | F | A | 1.0642 | |
| 839 | Y | A | 1.2809 | |
| 840 | S | A | 0.2730 | |
| 841 | G | A | 0.5030 | |
| 842 | L | A | 0.8998 | |
| 843 | T | A | 0.4857 | |
| 844 | P | A | 0.6943 | |
| 845 | T | A | 0.6586 | |
| 846 | E | A | 0.9496 | |
| 847 | F | A | 2.2769 | |
| 848 | F | A | 1.9347 | |
| 849 | F | A | 0.0000 | |
| 850 | H | A | 0.4715 | |
| 851 | T | A | 0.0930 | |
| 852 | M | A | -0.2161 | |
| 853 | A | A | -0.5017 | |
| 854 | G | A | -0.9678 | |
| 855 | R | A | -1.9528 | |
| 856 | E | A | -1.8303 | |
| 857 | G | A | -0.8938 | |
| 858 | L | A | 0.2564 | |
| 859 | V | A | 0.0579 | |
| 860 | D | A | -1.5657 | |
| 861 | T | A | -0.8004 | |
| 862 | A | A | -0.0765 | |
| 863 | V | A | -0.3399 | |
| 864 | K | A | -1.9345 | |
| 865 | T | A | -1.0548 | |
| 866 | A | A | -0.6620 | |
| 867 | E | A | -1.9860 | |
| 868 | T | A | -1.0119 | |
| 869 | G | A | -0.8386 | |
| 870 | Y | A | 0.1637 | |
| 871 | M | A | 0.0371 | |
| 872 | Q | A | -1.2733 | |
| 873 | R | A | -1.7094 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.8425 | 5.9062 | View | CSV | PDB |
| 4.5 | -0.9073 | 5.899 | View | CSV | PDB |
| 5.0 | -0.9864 | 5.8956 | View | CSV | PDB |
| 5.5 | -1.0614 | 5.9005 | View | CSV | PDB |
| 6.0 | -1.1117 | 5.9083 | View | CSV | PDB |
| 6.5 | -1.1233 | 5.9116 | View | CSV | PDB |
| 7.0 | -1.0986 | 5.9113 | View | CSV | PDB |
| 7.5 | -1.0515 | 5.9105 | View | CSV | PDB |
| 8.0 | -0.9936 | 5.9102 | View | CSV | PDB |
| 8.5 | -0.9286 | 5.9101 | View | CSV | PDB |
| 9.0 | -0.8564 | 5.91 | 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