| Chain sequence(s) |
A: MQDDLLMDKSKTQPQPQQQQRQQQQPQPESSVSEAPSTPLSSETPKPEENSAVPALSPAAAPPAPNGPDKMQMESPLLPGLSFHQPPQQPPPPQEPAAPGASLSPSFGSTWSTGTTNAVEDSFFQGITPVNGTMLFQNFPHHVNPVFGGTFSPQIGLAQTQHHQQPPPPAPAPQPAQPAQPPQAQPPQQRRSPASPSQAPYAQRSAAAAYGHQPIMTSKPSSSSAVAAAAAAAAASSASSSWNTHQSVNAAWSAPSNPWGGLQAGRDPRRAVGVGVGVGVGVPSPLNPIEPLKKPFSSNVIAPPKFPRAAPLTSKSWMEDNAFRTDNGNNLLPFQDRSRPYDTFNLHSLENSLMDMIRTDHEPLKGKHYPPSGPPMSFADIMWRNHFAGRMGINFHHPGTDNIMALNNAFLDDSHGDQALSSGLSSPTRCQNGERVERYSRKVFVGGLPPDIDEDEITASFRRFGPLVVDWPHKAESKSYFPPKGYAFLLFQEESSVQALIDACLEEDGKLYLCVSSPTIKDKPVQIRPWNLSDSDFVMDGSQPLDPRKTIFVGGVPRPLRAVELAMIMDRLYGGVCYAGIDTDPELKYPKGAGRVAFSNQQSYIAAISARFVQLQHNDIDKRVEVKPYVLDDQMCDECQGTRCGGKFAPFFCANVTCLQYYCEYCWASIHSRAGREFHKPLVKEGGDRPRHVPFRWS
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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:19)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/58ab944d35c896f/tmp/folded.pdb (00:10:19)
[INFO] Main: Simulation completed successfully. (00:19:30)
|
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 | -0.2984 | |
| 2 | Q | A | -1.9021 | |
| 3 | D | A | -2.7624 | |
| 4 | D | A | -1.8796 | |
| 5 | L | A | 1.3801 | |
| 6 | L | A | 2.1440 | |
| 7 | M | A | 0.7797 | |
| 8 | D | A | -1.7165 | |
| 9 | K | A | -2.8594 | |
| 10 | S | A | -2.4290 | |
| 11 | K | A | -2.5403 | |
| 12 | T | A | -1.8724 | |
| 13 | Q | A | -2.0548 | |
| 14 | P | A | -1.7504 | |
| 15 | Q | A | -2.0280 | |
| 16 | P | A | -1.9488 | |
| 17 | Q | A | -2.4609 | |
| 18 | Q | A | -2.7516 | |
| 19 | Q | A | -3.0464 | |
| 20 | Q | A | -3.2464 | |
| 21 | R | A | -3.5934 | |
| 22 | Q | A | -3.3000 | |
| 23 | Q | A | -3.0397 | |
| 24 | Q | A | -2.6834 | |
| 25 | Q | A | -2.4718 | |
| 26 | P | A | -1.8344 | |
| 27 | Q | A | -2.1281 | |
| 28 | P | A | -2.0174 | |
| 29 | E | A | -2.3558 | |
| 30 | S | A | -1.0018 | |
| 31 | S | A | 0.2144 | |
| 32 | V | A | 1.0883 | |
| 33 | S | A | -0.3197 | |
| 34 | E | A | -1.5550 | |
| 35 | A | A | -1.0473 | |
| 36 | P | A | -0.7374 | |
| 37 | S | A | -0.4231 | |
| 38 | T | A | -0.0066 | |
| 39 | P | A | 0.3685 | |
| 40 | L | A | 1.2443 | |
| 41 | S | A | 0.0914 | |
| 42 | S | A | -0.9988 | |
| 43 | E | A | -2.0706 | |
| 44 | T | A | -1.4910 | |
| 45 | P | A | -1.5415 | |
| 46 | K | A | -2.3746 | |
| 47 | P | A | -2.4978 | |
| 48 | E | A | -3.5823 | |
| 49 | E | A | -3.5187 | |
| 50 | N | A | -2.6271 | |
| 51 | S | A | -0.7947 | |
| 52 | A | A | 0.4484 | |
| 53 | V | A | 1.6308 | |
| 54 | P | A | 1.0600 | |
| 55 | A | A | 1.0468 | |
| 56 | L | A | 1.3705 | |
| 57 | S | A | 0.4061 | |
| 58 | P | A | -0.0031 | |
| 59 | A | A | -0.0659 | |
| 60 | A | A | 0.0150 | |
| 61 | A | A | -0.0908 | |
| 62 | P | A | -0.3310 | |
| 63 | P | A | -0.4014 | |
| 64 | A | A | -0.5188 | |
| 65 | P | A | -0.9819 | |
| 66 | N | A | -1.6646 | |
| 67 | G | A | -1.6577 | |
| 68 | P | A | -1.9996 | |
| 69 | D | A | -2.7208 | |
| 70 | K | A | -2.4630 | |
| 71 | M | A | -0.5356 | |
| 72 | Q | A | -0.8399 | |
| 73 | M | A | -0.2948 | |
| 74 | E | A | -1.6718 | |
| 75 | S | A | -0.6767 | |
| 76 | P | A | 0.2802 | |
| 77 | L | A | 2.0658 | |
| 78 | L | A | 1.9972 | |
| 79 | P | A | 0.9266 | |
| 80 | G | A | 0.4510 | |
| 81 | L | A | 1.5777 | |
| 82 | S | A | 1.2656 | |
| 83 | F | A | 1.4137 | |
| 84 | H | A | -0.6858 | |
| 85 | Q | A | -1.4075 | |
| 86 | P | A | -1.4062 | |
| 87 | P | A | -1.4211 | |
| 88 | Q | A | -1.9992 | |
| 89 | Q | A | -2.0019 | |
| 90 | P | A | -1.2730 | |
| 91 | P | A | -0.8210 | |
| 92 | P | A | -0.7994 | |
| 93 | P | A | -1.3503 | |
| 94 | Q | A | -2.2929 | |
| 95 | E | A | -2.5615 | |
| 96 | P | A | -1.4397 | |
| 97 | A | A | -0.5266 | |
| 98 | A | A | -0.2054 | |
| 99 | P | A | -0.4255 | |
| 100 | G | A | -0.5908 | |
| 101 | A | A | -0.0283 | |
| 102 | S | A | 0.4360 | |
| 103 | L | A | 1.2922 | |
| 104 | S | A | 0.5179 | |
| 105 | P | A | 0.3273 | |
| 106 | S | A | 0.4285 | |
| 107 | F | A | 1.4787 | |
| 108 | G | A | 0.4315 | |
| 109 | S | A | 0.2300 | |
| 110 | T | A | 0.2270 | |
| 111 | W | A | 0.8730 | |
| 112 | S | A | 0.1516 | |
| 113 | T | A | -0.1332 | |
| 114 | G | A | -0.6195 | |
| 115 | T | A | -0.7019 | |
| 116 | T | A | -0.6350 | |
| 117 | N | A | -1.1193 | |
| 118 | A | A | -0.4687 | |
| 119 | V | A | 0.1113 | |
| 120 | E | A | -1.8168 | |
| 121 | D | A | -1.6812 | |
| 122 | S | A | 0.0118 | |
| 123 | F | A | 1.8858 | |
| 124 | F | A | 2.2338 | |
| 125 | Q | A | 0.4168 | |
| 126 | G | A | 0.3481 | |
| 127 | I | A | 1.9143 | |
| 128 | T | A | 1.0660 | |
| 129 | P | A | 0.6065 | |
| 130 | V | A | 1.1293 | |
| 131 | N | A | -0.6107 | |
| 132 | G | A | -0.2635 | |
| 133 | T | A | 0.6853 | |
| 134 | M | A | 1.8511 | |
| 135 | L | A | 2.4776 | |
| 136 | F | A | 2.2581 | |
| 137 | Q | A | 0.0723 | |
| 138 | N | A | -0.4333 | |
| 139 | F | A | 0.8020 | |
| 140 | P | A | -0.2998 | |
| 141 | H | A | -0.9743 | |
| 142 | H | A | -0.7714 | |
| 143 | V | A | 0.3394 | |
| 144 | N | A | -0.5125 | |
| 145 | P | A | 0.7526 | |
| 146 | V | A | 2.2455 | |
| 147 | F | A | 2.4782 | |
| 148 | G | A | 0.6411 | |
| 149 | G | A | 0.3566 | |
| 150 | T | A | 0.4944 | |
| 151 | F | A | 1.6382 | |
| 152 | S | A | 0.3429 | |
| 153 | P | A | -0.0626 | |
| 154 | Q | A | -0.4577 | |
| 155 | I | A | 1.5056 | |
| 156 | G | A | 1.0083 | |
| 157 | L | A | 1.5552 | |
| 158 | A | A | 0.1295 | |
| 159 | Q | A | -1.1247 | |
| 160 | T | A | -1.4726 | |
| 161 | Q | A | -2.2009 | |
| 162 | H | A | -2.4040 | |
| 163 | H | A | -2.6285 | |
| 164 | Q | A | -2.5452 | |
| 165 | Q | A | -2.2061 | |
| 166 | P | A | -1.2926 | |
| 167 | P | A | -0.8078 | |
| 168 | P | A | -0.6963 | |
| 169 | P | A | -0.4824 | |
| 170 | A | A | -0.2256 | |
| 171 | P | A | -0.4618 | |
| 172 | A | A | -0.4457 | |
| 173 | P | A | -0.9140 | |
| 174 | Q | A | -1.4498 | |
| 175 | P | A | -1.1046 | |
| 176 | A | A | -0.9258 | |
| 177 | Q | A | -1.3514 | |
| 178 | P | A | -1.1313 | |
| 179 | A | A | -0.9683 | |
| 180 | Q | A | -1.3899 | |
| 181 | P | A | -1.1613 | |
| 182 | P | A | -1.1648 | |
| 183 | Q | A | -1.5734 | |
| 184 | A | A | -1.2445 | |
| 185 | Q | A | -1.6059 | |
| 186 | P | A | -1.2552 | |
| 187 | P | A | -1.4603 | |
| 188 | Q | A | -2.3184 | |
| 189 | Q | A | -3.1465 | |
| 190 | R | A | -3.6691 | |
| 191 | R | A | -3.2094 | |
| 192 | S | A | -1.6036 | |
| 193 | P | A | -0.8215 | |
| 194 | A | A | -0.2926 | |
| 195 | S | A | -0.4100 | |
| 196 | P | A | -0.7352 | |
| 197 | S | A | -0.9502 | |
| 198 | Q | A | -1.3837 | |
| 199 | A | A | -0.4294 | |
| 200 | P | A | 0.1774 | |
| 201 | Y | A | 0.9956 | |
| 202 | A | A | -0.3553 | |
| 203 | Q | A | -1.9025 | |
| 204 | R | A | -2.5503 | |
| 205 | S | A | -1.4524 | |
| 206 | A | A | -0.4101 | |
| 207 | A | A | 0.0859 | |
| 208 | A | A | 0.4077 | |
| 209 | A | A | 0.6299 | |
| 210 | Y | A | 0.8795 | |
| 211 | G | A | -0.4190 | |
| 212 | H | A | -1.5829 | |
| 213 | Q | A | -1.4703 | |
| 214 | P | A | 0.0362 | |
| 215 | I | A | 2.1365 | |
| 216 | M | A | 1.9393 | |
| 217 | T | A | 0.4254 | |
| 218 | S | A | -0.9234 | |
| 219 | K | A | -2.0071 | |
| 220 | P | A | -1.4023 | |
| 221 | S | A | -0.8789 | |
| 222 | S | A | -0.5303 | |
| 223 | S | A | -0.4560 | |
| 224 | S | A | 0.0390 | |
| 225 | A | A | 0.7569 | |
| 226 | V | A | 1.8002 | |
| 227 | A | A | 1.0651 | |
| 228 | A | A | 0.4929 | |
| 229 | A | A | 0.1476 | |
| 230 | A | A | 0.1464 | |
| 231 | A | A | 0.1457 | |
| 232 | A | A | 0.1458 | |
| 233 | A | A | 0.1470 | |
| 234 | A | A | 0.0908 | |
| 235 | A | A | -0.0444 | |
| 236 | S | A | -0.2737 | |
| 237 | S | A | -0.3315 | |
| 238 | A | A | -0.2648 | |
| 239 | S | A | -0.3887 | |
| 240 | S | A | -0.1812 | |
| 241 | S | A | -0.0479 | |
| 242 | W | A | 0.4048 | |
| 243 | N | A | -0.9722 | |
| 244 | T | A | -1.2228 | |
| 245 | H | A | -1.9601 | |
| 246 | Q | A | -1.4489 | |
| 247 | S | A | -0.4062 | |
| 248 | V | A | 0.7991 | |
| 249 | N | A | -0.4162 | |
| 250 | A | A | 0.0982 | |
| 251 | A | A | 0.3701 | |
| 252 | W | A | 1.1355 | |
| 253 | S | A | 0.3537 | |
| 254 | A | A | 0.0030 | |
| 255 | P | A | -0.6203 | |
| 256 | S | A | -1.0040 | |
| 257 | N | A | -1.3650 | |
| 258 | P | A | -0.5657 | |
| 259 | W | A | 0.4231 | |
| 260 | G | A | 0.0857 | |
| 261 | G | A | 0.0837 | |
| 262 | L | A | 0.5745 | |
| 263 | Q | A | -0.5243 | |
| 264 | A | A | -0.8692 | |
| 265 | G | A | -1.9608 | |
| 266 | R | A | -3.0029 | |
| 267 | D | A | -3.3354 | |
| 268 | P | A | -2.9495 | |
| 269 | R | A | -3.3382 | |
| 270 | R | A | -2.5104 | |
| 271 | A | A | -0.5991 | |
| 272 | V | A | 1.5344 | |
| 273 | G | A | 1.2950 | |
| 274 | V | A | 2.0312 | |
| 275 | G | A | 1.1647 | |
| 276 | V | A | 2.0392 | |
| 277 | G | A | 1.1042 | |
| 278 | V | A | 2.0236 | |
| 279 | G | A | 1.0910 | |
| 280 | V | A | 2.0347 | |
| 281 | G | A | 1.0887 | |
| 282 | V | A | 1.7246 | |
| 283 | P | A | 0.4527 | |
| 284 | S | A | 0.2542 | |
| 285 | P | A | 0.0752 | |
| 286 | L | A | 0.7128 | |
| 287 | N | A | -0.2977 | |
| 288 | P | A | -0.0390 | |
| 289 | I | A | 0.6821 | |
| 290 | E | A | -0.8316 | |
| 291 | P | A | -0.4462 | |
| 292 | L | A | -0.3276 | |
| 293 | K | A | -1.8485 | |
| 294 | K | A | -1.7996 | |
| 295 | P | A | -0.4494 | |
| 296 | F | A | 0.9105 | |
| 297 | S | A | 0.2347 | |
| 298 | S | A | 0.2076 | |
| 299 | N | A | 0.2213 | |
| 300 | V | A | 2.0359 | |
| 301 | I | A | 2.4295 | |
| 302 | A | A | 0.9551 | |
| 303 | P | A | 0.1536 | |
| 304 | P | A | -0.4679 | |
| 305 | K | A | -1.2170 | |
| 306 | F | A | 0.4647 | |
| 307 | P | A | -0.6374 | |
| 308 | R | A | -1.6888 | |
| 309 | A | A | -0.5050 | |
| 310 | A | A | -0.1543 | |
| 311 | P | A | 0.2890 | |
| 312 | L | A | 1.1646 | |
| 313 | T | A | 0.0868 | |
| 314 | S | A | -0.7864 | |
| 315 | K | A | -1.4654 | |
| 316 | S | A | -0.2762 | |
| 317 | W | A | 0.7557 | |
| 318 | M | A | 0.2777 | |
| 319 | E | A | -2.1419 | |
| 320 | D | A | -3.0857 | |
| 321 | N | A | -2.1152 | |
| 322 | A | A | -0.4834 | |
| 323 | F | A | 0.5895 | |
| 324 | R | A | -1.5107 | |
| 325 | T | A | -1.7502 | |
| 326 | D | A | -2.9835 | |
| 327 | N | A | -3.0074 | |
| 328 | G | A | -2.2741 | |
| 329 | N | A | -2.0400 | |
| 330 | N | A | -1.0490 | |
| 331 | L | A | 1.4803 | |
| 332 | L | A | 2.0503 | |
| 333 | P | A | 1.0976 | |
| 334 | F | A | 1.0805 | |
| 335 | Q | A | -1.5058 | |
| 336 | D | A | -3.1119 | |
| 337 | R | A | -3.3620 | |
| 338 | S | A | -2.5732 | |
| 339 | R | A | -2.7466 | |
| 340 | P | A | -1.2735 | |
| 341 | Y | A | 0.0810 | |
| 342 | D | A | -1.1557 | |
| 343 | T | A | 0.1840 | |
| 344 | F | A | 1.2609 | |
| 345 | N | A | -0.4747 | |
| 346 | L | A | 0.2404 | |
| 347 | H | A | -1.3559 | |
| 348 | S | A | -0.9224 | |
| 349 | L | A | -0.5125 | |
| 350 | E | A | -2.0887 | |
| 351 | N | A | -1.8107 | |
| 352 | S | A | -0.8447 | |
| 353 | L | A | 0.0637 | |
| 354 | M | A | -0.2356 | |
| 355 | D | A | -1.5598 | |
| 356 | M | A | 0.2824 | |
| 357 | I | A | 0.6604 | |
| 358 | R | A | -2.0781 | |
| 359 | T | A | -1.9692 | |
| 360 | D | A | -2.8684 | |
| 361 | H | A | -2.7996 | |
| 362 | E | A | -2.9524 | |
| 363 | P | A | -1.3669 | |
| 364 | L | A | -0.3994 | |
| 365 | K | A | -1.9330 | |
| 366 | G | A | -1.8994 | |
| 367 | K | A | -2.2457 | |
| 368 | H | A | -1.5566 | |
| 369 | Y | A | 0.1274 | |
| 370 | P | A | -0.2624 | |
| 371 | P | A | -0.4393 | |
| 372 | S | A | -0.5453 | |
| 373 | G | A | -0.7633 | |
| 374 | P | A | -0.7459 | |
| 375 | P | A | -0.0820 | |
| 376 | M | A | 0.3958 | |
| 377 | S | A | 0.5951 | |
| 378 | F | A | 1.3856 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | -0.4986 | |
| 381 | I | A | 0.1486 | |
| 382 | M | A | -0.1322 | |
| 383 | W | A | -0.9382 | |
| 384 | R | A | -2.0633 | |
| 385 | N | A | -2.2888 | |
| 386 | H | A | -1.6282 | |
| 387 | F | A | -1.1101 | |
| 388 | A | A | -1.0130 | |
| 389 | G | A | -1.4475 | |
| 390 | R | A | -1.5883 | |
| 391 | M | A | 0.0369 | |
| 392 | G | A | -0.2012 | |
| 393 | I | A | 0.5709 | |
| 394 | N | A | -0.2872 | |
| 395 | F | A | 0.7037 | |
| 396 | H | A | -0.8732 | |
| 397 | H | A | -1.3529 | |
| 398 | P | A | -1.2699 | |
| 399 | G | A | -1.4946 | |
| 400 | T | A | -1.1398 | |
| 401 | D | A | -1.8337 | |
| 402 | N | A | -0.7309 | |
| 403 | I | A | 1.5644 | |
| 404 | M | A | 1.2812 | |
| 405 | A | A | 0.7122 | |
| 406 | L | A | 1.4454 | |
| 407 | N | A | -0.2093 | |
| 408 | N | A | -0.4803 | |
| 409 | A | A | 0.4989 | |
| 410 | F | A | 1.6295 | |
| 411 | L | A | 0.9316 | |
| 412 | D | A | -1.4449 | |
| 413 | D | A | -2.3966 | |
| 414 | S | A | -1.9501 | |
| 415 | H | A | -2.2643 | |
| 416 | G | A | -2.3446 | |
| 417 | D | A | -2.6606 | |
| 418 | Q | A | -1.8986 | |
| 419 | A | A | -0.3154 | |
| 420 | L | A | 0.8823 | |
| 421 | S | A | 0.3626 | |
| 422 | S | A | 0.0924 | |
| 423 | G | A | 0.2421 | |
| 424 | L | A | 1.0394 | |
| 425 | S | A | 0.2249 | |
| 426 | S | A | -0.3146 | |
| 427 | P | A | -0.8238 | |
| 428 | T | A | -1.1965 | |
| 429 | R | A | -2.8183 | |
| 430 | C | A | -2.0292 | |
| 431 | Q | A | -2.5500 | |
| 432 | N | A | -2.9980 | |
| 433 | G | A | -2.7857 | |
| 434 | E | A | -3.2827 | |
| 435 | R | A | -2.6609 | |
| 436 | V | A | -0.8057 | |
| 437 | E | A | -2.2423 | |
| 438 | R | A | -1.5452 | |
| 439 | Y | A | -1.1369 | |
| 440 | S | A | 0.0000 | |
| 441 | R | A | -1.8436 | |
| 442 | K | A | -0.5266 | |
| 443 | V | A | 0.0000 | |
| 444 | F | A | 0.1667 | |
| 445 | V | A | 0.0000 | |
| 446 | G | A | 0.0000 | |
| 447 | G | A | -0.8373 | |
| 448 | L | A | 0.0000 | |
| 449 | P | A | 0.0000 | |
| 450 | P | A | -0.7857 | |
| 451 | D | A | -0.7793 | |
| 452 | I | A | 0.0000 | |
| 453 | D | A | -0.8255 | |
| 454 | E | A | -0.9484 | |
| 455 | D | A | -1.9093 | |
| 456 | E | A | -1.9930 | |
| 457 | I | A | 0.0000 | |
| 458 | T | A | -1.4393 | |
| 459 | A | A | -1.6757 | |
| 460 | S | A | -1.2819 | |
| 461 | F | A | 0.0000 | |
| 462 | R | A | -2.5608 | |
| 463 | R | A | -2.6719 | |
| 464 | F | A | -1.5419 | |
| 465 | G | A | -1.8321 | |
| 466 | P | A | -1.2731 | |
| 467 | L | A | -0.3638 | |
| 468 | V | A | 1.0923 | |
| 469 | V | A | 0.0000 | |
| 470 | D | A | -0.2768 | |
| 471 | W | A | 0.0000 | |
| 472 | P | A | -1.0651 | |
| 473 | H | A | -2.2103 | |
| 474 | K | A | -1.6765 | |
| 475 | A | A | -1.8035 | |
| 476 | E | A | -2.7711 | |
| 477 | S | A | -1.9456 | |
| 478 | K | A | -1.9534 | |
| 479 | S | A | -0.4473 | |
| 480 | Y | A | 0.8030 | |
| 481 | F | A | 0.7039 | |
| 482 | P | A | 0.0000 | |
| 483 | P | A | -0.6598 | |
| 484 | K | A | -1.6428 | |
| 485 | G | A | -0.8918 | |
| 486 | Y | A | -0.2387 | |
| 487 | A | A | 0.0000 | |
| 488 | F | A | 0.4760 | |
| 489 | L | A | 0.0000 | |
| 490 | L | A | 0.1484 | |
| 491 | F | A | 0.0000 | |
| 492 | Q | A | -1.9332 | |
| 493 | E | A | -2.7766 | |
| 494 | E | A | 0.0000 | |
| 495 | S | A | -1.4457 | |
| 496 | S | A | 0.0000 | |
| 497 | V | A | 0.0000 | |
| 498 | Q | A | -1.1526 | |
| 499 | A | A | -0.8052 | |
| 500 | L | A | 0.0000 | |
| 501 | I | A | -0.6319 | |
| 502 | D | A | -1.6155 | |
| 503 | A | A | -0.4458 | |
| 504 | C | A | -0.1719 | |
| 505 | L | A | 0.0881 | |
| 506 | E | A | -2.5786 | |
| 507 | E | A | -3.0885 | |
| 508 | D | A | -3.3234 | |
| 509 | G | A | -2.3979 | |
| 510 | K | A | -2.3268 | |
| 511 | L | A | -1.4062 | |
| 512 | Y | A | -0.3247 | |
| 513 | L | A | 0.0000 | |
| 514 | C | A | -0.4711 | |
| 515 | V | A | 0.0000 | |
| 516 | S | A | -1.6080 | |
| 517 | S | A | 0.0000 | |
| 518 | P | A | -0.7587 | |
| 519 | T | A | -0.5143 | |
| 520 | I | A | -1.0265 | |
| 521 | K | A | -2.4654 | |
| 522 | D | A | -2.6009 | |
| 523 | K | A | -1.7387 | |
| 524 | P | A | -0.8065 | |
| 525 | V | A | 0.0000 | |
| 526 | Q | A | -0.5479 | |
| 527 | I | A | 0.0000 | |
| 528 | R | A | -0.5051 | |
| 529 | P | A | -0.2433 | |
| 530 | W | A | 0.0000 | |
| 531 | N | A | -0.9994 | |
| 532 | L | A | -0.8990 | |
| 533 | S | A | -0.6087 | |
| 534 | D | A | -0.6673 | |
| 535 | S | A | 0.0000 | |
| 536 | D | A | -0.1286 | |
| 537 | F | A | 0.6298 | |
| 538 | V | A | 0.7775 | |
| 539 | M | A | 0.2486 | |
| 540 | D | A | -0.7484 | |
| 541 | G | A | -0.7766 | |
| 542 | S | A | -0.8434 | |
| 543 | Q | A | -1.1844 | |
| 544 | P | A | -0.8668 | |
| 545 | L | A | -0.7149 | |
| 546 | D | A | -1.3947 | |
| 547 | P | A | -0.9960 | |
| 548 | R | A | -1.7579 | |
| 549 | K | A | -1.4833 | |
| 550 | T | A | 0.0000 | |
| 551 | I | A | 0.0000 | |
| 552 | F | A | 0.2432 | |
| 553 | V | A | 0.0000 | |
| 554 | G | A | -0.8470 | |
| 555 | G | A | -1.3191 | |
| 556 | V | A | 0.0000 | |
| 557 | P | A | -1.5181 | |
| 558 | R | A | -1.7001 | |
| 559 | P | A | -0.9106 | |
| 560 | L | A | 0.0000 | |
| 561 | R | A | -1.0902 | |
| 562 | A | A | 0.0000 | |
| 563 | V | A | 0.4081 | |
| 564 | E | A | -0.2301 | |
| 565 | L | A | 0.0000 | |
| 566 | A | A | 0.0000 | |
| 567 | M | A | 0.1169 | |
| 568 | I | A | -0.4064 | |
| 569 | M | A | 0.0000 | |
| 570 | D | A | -0.8739 | |
| 571 | R | A | -1.3405 | |
| 572 | L | A | 0.2281 | |
| 573 | Y | A | -0.0640 | |
| 574 | G | A | -0.7208 | |
| 575 | G | A | -0.8909 | |
| 576 | V | A | 0.0000 | |
| 577 | C | A | 0.0000 | |
| 578 | Y | A | 0.0000 | |
| 579 | A | A | 0.0000 | |
| 580 | G | A | 0.0000 | |
| 581 | I | A | 0.0000 | |
| 582 | D | A | -1.7397 | |
| 583 | T | A | -1.7482 | |
| 584 | D | A | -1.7926 | |
| 585 | P | A | -1.7273 | |
| 586 | E | A | -2.2593 | |
| 587 | L | A | -1.3609 | |
| 588 | K | A | -1.8595 | |
| 589 | Y | A | 0.0000 | |
| 590 | P | A | 0.0000 | |
| 591 | K | A | -2.1627 | |
| 592 | G | A | -1.4336 | |
| 593 | A | A | -1.0701 | |
| 594 | G | A | 0.0000 | |
| 595 | R | A | -0.2753 | |
| 596 | V | A | 0.0000 | |
| 597 | A | A | 0.0000 | |
| 598 | F | A | 0.0000 | |
| 599 | S | A | -1.1347 | |
| 600 | N | A | -1.2835 | |
| 601 | Q | A | -1.5115 | |
| 602 | Q | A | -1.4467 | |
| 603 | S | A | 0.0000 | |
| 604 | Y | A | 0.0000 | |
| 605 | I | A | 0.1749 | |
| 606 | A | A | 0.1169 | |
| 607 | A | A | 0.0000 | |
| 608 | I | A | 0.0000 | |
| 609 | S | A | 0.0491 | |
| 610 | A | A | -0.1069 | |
| 611 | R | A | -0.5025 | |
| 612 | F | A | -0.4004 | |
| 613 | V | A | 0.0000 | |
| 614 | Q | A | -2.3879 | |
| 615 | L | A | 0.0000 | |
| 616 | Q | A | -3.1851 | |
| 617 | H | A | -2.3874 | |
| 618 | N | A | -2.7284 | |
| 619 | D | A | -3.0502 | |
| 620 | I | A | -2.8551 | |
| 621 | D | A | -3.8276 | |
| 622 | K | A | -3.4034 | |
| 623 | R | A | -3.1889 | |
| 624 | V | A | 0.0000 | |
| 625 | E | A | -1.2997 | |
| 626 | V | A | 0.0000 | |
| 627 | K | A | -0.3524 | |
| 628 | P | A | 0.0000 | |
| 629 | Y | A | 0.0274 | |
| 630 | V | A | -0.5710 | |
| 631 | L | A | -1.2428 | |
| 632 | D | A | -2.5207 | |
| 633 | D | A | -2.4954 | |
| 634 | Q | A | -1.4720 | |
| 635 | M | A | -1.1525 | |
| 636 | C | A | 0.0000 | |
| 637 | D | A | -1.4543 | |
| 638 | E | A | -2.1017 | |
| 639 | C | A | 0.0000 | |
| 640 | Q | A | -2.1717 | |
| 641 | G | A | 0.0000 | |
| 642 | T | A | -1.9276 | |
| 643 | R | A | -2.4792 | |
| 644 | C | A | -1.5335 | |
| 645 | G | A | -1.7045 | |
| 646 | G | A | -1.7253 | |
| 647 | K | A | -2.1134 | |
| 648 | F | A | -0.8289 | |
| 649 | A | A | -0.5254 | |
| 650 | P | A | -0.5503 | |
| 651 | F | A | 0.0236 | |
| 652 | F | A | 0.0000 | |
| 653 | C | A | 0.0000 | |
| 654 | A | A | -0.2283 | |
| 655 | N | A | -0.0774 | |
| 656 | V | A | 1.0624 | |
| 657 | T | A | 0.3501 | |
| 658 | C | A | 0.1774 | |
| 659 | L | A | 0.0879 | |
| 660 | Q | A | -0.5946 | |
| 661 | Y | A | 0.0000 | |
| 662 | Y | A | 0.0000 | |
| 663 | C | A | 0.0000 | |
| 664 | E | A | -0.3067 | |
| 665 | Y | A | 0.4447 | |
| 666 | C | A | 0.0000 | |
| 667 | W | A | 0.0000 | |
| 668 | A | A | -0.0867 | |
| 669 | S | A | -0.0965 | |
| 670 | I | A | -0.5281 | |
| 671 | H | A | 0.0000 | |
| 672 | S | A | -1.3248 | |
| 673 | R | A | -2.3961 | |
| 674 | A | A | -1.3017 | |
| 675 | G | A | -1.1727 | |
| 676 | R | A | -1.5800 | |
| 677 | E | A | -1.3202 | |
| 678 | F | A | 0.5608 | |
| 679 | H | A | -0.7344 | |
| 680 | K | A | -1.3720 | |
| 681 | P | A | -0.3844 | |
| 682 | L | A | -0.1630 | |
| 683 | V | A | -0.2170 | |
| 684 | K | A | -2.4450 | |
| 685 | E | A | -3.0900 | |
| 686 | G | A | -2.6368 | |
| 687 | G | A | -3.0228 | |
| 688 | D | A | -3.7758 | |
| 689 | R | A | -3.9148 | |
| 690 | P | A | -2.5946 | |
| 691 | R | A | -2.7406 | |
| 692 | H | A | -1.1686 | |
| 693 | V | A | 0.8547 | |
| 694 | P | A | 0.5634 | |
| 695 | F | A | 1.5976 | |
| 696 | R | A | -0.2057 | |
| 697 | W | A | 0.7111 | |
| 698 | S | A | 0.0817 |
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 | 0.0989 | 5.9622 | View | CSV | PDB |
| 4.5 | 0.035 | 5.9211 | View | CSV | PDB |
| 5.0 | -0.042 | 5.8759 | View | CSV | PDB |
| 5.5 | -0.1173 | 5.8294 | View | CSV | PDB |
| 6.0 | -0.1777 | 5.7823 | View | CSV | PDB |
| 6.5 | -0.2171 | 5.7353 | View | CSV | PDB |
| 7.0 | -0.2391 | 5.6885 | View | CSV | PDB |
| 7.5 | -0.2515 | 5.6426 | View | CSV | PDB |
| 8.0 | -0.2587 | 5.5996 | View | CSV | PDB |
| 8.5 | -0.2594 | 5.5635 | View | CSV | PDB |
| 9.0 | -0.2509 | 5.5394 | 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