| Chain sequence(s) |
A: MLKFQCGQKTLRPRFKIIGGEFTTIENQPWFAAIYRRHRGGSVTYVCGGSLISPCWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRCAQPSRTIQTICLPSMYNDPQFGTSCEITGFGKENSTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKEENGLALSYQVICRDEKTQMIYQQHQSWLRPVLRSNRVEYCWCNSGRAQCHSVSEGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVRSCGGGGSEVQLVESGGGLVQPGGSLRLSCAASGRTFSYNPMGWFRQAPGKGRELVAAISRTGGSTYYPDSVEGRFTISRDNAKRMVYLQMNSLRAEDTAVYYCAAAGVRAEDGRVRTLPSEYTFWGQGTQVTVSSGGGSGPRPGGGSRGD
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 |
| Mutated residues | LR269A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.266181 kcal/mol |
| 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] FoldX: Building mutant model (00:04:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:04:20)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ccf67714c203caf/tmp/folded.pdb (00:04:20)
[INFO] Main: Simulation completed successfully. (00:07:51)
|
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 | 0.9670 | |
| 2 | L | A | -0.0776 | |
| 3 | K | A | -1.3323 | |
| 4 | F | A | -1.0950 | |
| 5 | Q | A | -1.3309 | |
| 6 | C | A | -0.7764 | |
| 7 | G | A | 0.0000 | |
| 8 | Q | A | -2.0107 | |
| 9 | K | A | -1.4098 | |
| 10 | T | A | -0.7850 | |
| 11 | L | A | -0.4708 | |
| 12 | R | A | -1.7646 | |
| 13 | P | A | -1.3530 | |
| 14 | R | A | -1.5974 | |
| 15 | F | A | 0.3548 | |
| 16 | K | A | 0.3860 | |
| 17 | I | A | 2.3975 | |
| 18 | I | A | 2.0539 | |
| 19 | G | A | 0.4423 | |
| 20 | G | A | 0.3437 | |
| 21 | E | A | 1.1701 | |
| 22 | F | A | 1.4112 | |
| 23 | T | A | 0.0000 | |
| 24 | T | A | 0.0042 | |
| 25 | I | A | 0.0000 | |
| 26 | E | A | -0.6563 | |
| 27 | N | A | -0.7629 | |
| 28 | Q | A | 0.0000 | |
| 29 | P | A | 0.0000 | |
| 30 | W | A | 0.0000 | |
| 31 | F | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | A | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | R | A | -0.5791 | |
| 37 | R | A | -1.6202 | |
| 38 | H | A | -2.0332 | |
| 39 | R | A | -2.6092 | |
| 40 | G | A | -1.8253 | |
| 41 | G | A | -1.5036 | |
| 42 | S | A | -1.0290 | |
| 43 | V | A | -0.4520 | |
| 44 | T | A | -0.1715 | |
| 45 | Y | A | 0.0000 | |
| 46 | V | A | 0.1721 | |
| 47 | C | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | S | A | -0.2464 | |
| 54 | P | A | -0.5295 | |
| 55 | C | A | -0.6959 | |
| 56 | W | A | 0.0000 | |
| 57 | V | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | S | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | T | A | 0.0000 | |
| 62 | H | A | 0.0419 | |
| 63 | C | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | I | A | 0.6150 | |
| 66 | D | A | -0.9040 | |
| 67 | Y | A | -0.3245 | |
| 68 | P | A | -0.7294 | |
| 69 | K | A | -2.0835 | |
| 70 | K | A | -2.7733 | |
| 71 | E | A | -2.9972 | |
| 72 | D | A | 0.0000 | |
| 73 | Y | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | R | A | 0.0000 | |
| 80 | S | A | -1.2365 | |
| 81 | R | A | -2.4860 | |
| 82 | L | A | 0.0000 | |
| 83 | N | A | -2.2474 | |
| 84 | S | A | -2.0912 | |
| 85 | N | A | -2.1747 | |
| 86 | T | A | -1.7605 | |
| 87 | Q | A | -1.8496 | |
| 88 | G | A | -1.5680 | |
| 89 | E | A | -1.3199 | |
| 90 | M | A | -0.9431 | |
| 91 | K | A | -1.4385 | |
| 92 | F | A | 0.0000 | |
| 93 | E | A | -2.0959 | |
| 94 | V | A | 0.0000 | |
| 95 | E | A | -2.5305 | |
| 96 | N | A | -2.1592 | |
| 97 | L | A | -1.1498 | |
| 98 | I | A | -0.2033 | |
| 99 | L | A | -0.0876 | |
| 100 | H | A | -1.1427 | |
| 101 | K | A | -2.3311 | |
| 102 | D | A | -2.3660 | |
| 103 | Y | A | -1.1052 | |
| 104 | S | A | -1.2894 | |
| 105 | A | A | -0.9289 | |
| 106 | D | A | -1.9190 | |
| 107 | T | A | -0.8656 | |
| 108 | L | A | -0.5167 | |
| 109 | A | A | 0.0000 | |
| 110 | H | A | -0.7447 | |
| 111 | H | A | -1.0325 | |
| 112 | N | A | 0.0000 | |
| 113 | D | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | L | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | K | A | -1.3866 | |
| 119 | I | A | 0.0000 | |
| 120 | R | A | -2.6685 | |
| 121 | S | A | -2.8085 | |
| 122 | K | A | -3.3141 | |
| 123 | E | A | -3.3448 | |
| 124 | G | A | -2.7671 | |
| 125 | R | A | -3.0236 | |
| 126 | C | A | -1.6893 | |
| 127 | A | A | 0.0000 | |
| 128 | Q | A | -1.4404 | |
| 129 | P | A | -1.1391 | |
| 130 | S | A | -1.2896 | |
| 131 | R | A | -1.9359 | |
| 132 | T | A | 0.0000 | |
| 133 | I | A | 0.0000 | |
| 134 | Q | A | 0.0000 | |
| 135 | T | A | 0.0000 | |
| 136 | I | A | 0.0000 | |
| 137 | C | A | 0.0000 | |
| 138 | L | A | 0.3812 | |
| 139 | P | A | 0.0000 | |
| 140 | S | A | -0.3983 | |
| 141 | M | A | 0.2790 | |
| 142 | Y | A | 0.5080 | |
| 143 | N | A | -0.4898 | |
| 144 | D | A | -0.5640 | |
| 145 | P | A | 0.0000 | |
| 146 | Q | A | -0.8159 | |
| 147 | F | A | 0.4545 | |
| 148 | G | A | -0.1614 | |
| 149 | T | A | -0.3594 | |
| 150 | S | A | -0.1714 | |
| 151 | C | A | 0.0000 | |
| 152 | E | A | 0.2226 | |
| 153 | I | A | 0.0000 | |
| 154 | T | A | 0.0000 | |
| 155 | G | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | G | A | -1.1853 | |
| 158 | K | A | -1.2935 | |
| 159 | E | A | -2.5256 | |
| 160 | N | A | -2.2708 | |
| 161 | S | A | -1.6136 | |
| 162 | T | A | -0.7246 | |
| 163 | D | A | -0.3808 | |
| 164 | Y | A | 1.4870 | |
| 165 | L | A | 1.5234 | |
| 166 | Y | A | -0.0253 | |
| 167 | P | A | -1.0545 | |
| 168 | E | A | -2.3739 | |
| 169 | Q | A | -1.4543 | |
| 170 | L | A | 0.0000 | |
| 171 | K | A | -0.3069 | |
| 172 | M | A | 0.0000 | |
| 173 | T | A | 0.6944 | |
| 174 | V | A | 0.8469 | |
| 175 | V | A | 0.0000 | |
| 176 | K | A | -0.4834 | |
| 177 | L | A | 0.0000 | |
| 178 | I | A | -0.5253 | |
| 179 | S | A | -1.1734 | |
| 180 | H | A | -1.8532 | |
| 181 | R | A | -3.1457 | |
| 182 | E | A | -3.0867 | |
| 183 | C | A | 0.0000 | |
| 184 | Q | A | -2.6029 | |
| 185 | Q | A | -2.4049 | |
| 186 | P | A | -1.4970 | |
| 187 | H | A | -1.6698 | |
| 188 | Y | A | -1.7123 | |
| 189 | Y | A | 0.0000 | |
| 190 | G | A | -1.6045 | |
| 191 | S | A | -0.9183 | |
| 192 | E | A | -1.2911 | |
| 193 | V | A | 0.0000 | |
| 194 | T | A | -0.8389 | |
| 195 | T | A | -0.7081 | |
| 196 | K | A | -0.6826 | |
| 197 | M | A | 0.0000 | |
| 198 | L | A | 0.0000 | |
| 199 | C | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | D | A | -1.1345 | |
| 203 | P | A | -1.3490 | |
| 204 | Q | A | -2.0448 | |
| 205 | W | A | -1.6425 | |
| 206 | K | A | -1.6791 | |
| 207 | T | A | -0.6625 | |
| 208 | D | A | -0.6304 | |
| 209 | S | A | -0.8327 | |
| 210 | C | A | 0.0000 | |
| 211 | Q | A | -1.6965 | |
| 212 | G | A | 0.0000 | |
| 213 | D | A | 0.0000 | |
| 214 | S | A | -0.2844 | |
| 215 | G | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | P | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | C | A | 0.0000 | |
| 221 | S | A | -0.9784 | |
| 222 | L | A | -1.3152 | |
| 223 | Q | A | -1.8125 | |
| 224 | G | A | -1.8147 | |
| 225 | R | A | -2.2307 | |
| 226 | M | A | -1.1071 | |
| 227 | T | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | S | A | 0.0000 | |
| 234 | W | A | 0.0000 | |
| 235 | G | A | -0.7663 | |
| 236 | R | A | -1.3088 | |
| 237 | G | A | -1.1706 | |
| 238 | C | A | -1.2772 | |
| 239 | A | A | -1.1847 | |
| 240 | L | A | -0.3176 | |
| 241 | K | A | -1.9070 | |
| 242 | D | A | -1.4283 | |
| 243 | K | A | -1.1234 | |
| 244 | P | A | 0.0000 | |
| 245 | G | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | Y | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | R | A | -0.4520 | |
| 250 | V | A | 0.0000 | |
| 251 | S | A | 0.0000 | |
| 252 | H | A | -0.4744 | |
| 253 | F | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | P | A | -0.8766 | |
| 256 | W | A | -0.7421 | |
| 257 | I | A | 0.0000 | |
| 258 | R | A | -2.8702 | |
| 259 | S | A | -1.9591 | |
| 260 | H | A | -1.7990 | |
| 261 | T | A | -2.4728 | |
| 262 | K | A | -3.9997 | |
| 263 | E | A | -4.1382 | |
| 264 | E | A | -3.7641 | |
| 265 | N | A | -2.6908 | |
| 266 | G | A | -1.3188 | |
| 267 | L | A | -0.0285 | |
| 268 | A | A | -0.2988 | |
| 269 | R | A | -1.4125 | mutated: LR269A |
| 270 | S | A | -0.4677 | |
| 271 | Y | A | 0.5419 | |
| 272 | Q | A | -0.4956 | |
| 273 | V | A | -0.1630 | |
| 274 | I | A | -0.6338 | |
| 275 | C | A | 0.0000 | |
| 276 | R | A | -2.5776 | |
| 277 | D | A | 0.0000 | |
| 278 | E | A | -2.9768 | |
| 279 | K | A | -2.1998 | |
| 280 | T | A | -1.4309 | |
| 281 | Q | A | -1.8792 | |
| 282 | M | A | -0.1496 | |
| 283 | I | A | -0.1612 | |
| 284 | Y | A | -0.6160 | |
| 285 | Q | A | -1.0974 | |
| 286 | Q | A | -1.5174 | |
| 287 | H | A | -1.6210 | |
| 288 | Q | A | -1.3770 | |
| 289 | S | A | -0.7163 | |
| 290 | W | A | 0.0000 | |
| 291 | L | A | 0.3512 | |
| 292 | R | A | 0.0000 | |
| 293 | P | A | -0.6617 | |
| 294 | V | A | -0.3733 | |
| 295 | L | A | 0.2238 | |
| 296 | R | A | -1.5720 | |
| 297 | S | A | -1.5795 | |
| 298 | N | A | -2.5512 | |
| 299 | R | A | -2.9071 | |
| 300 | V | A | -1.2725 | |
| 301 | E | A | -0.6754 | |
| 302 | Y | A | -0.1475 | |
| 303 | C | A | 0.0000 | |
| 304 | W | A | -0.9106 | |
| 305 | C | A | 0.0000 | |
| 306 | N | A | -1.6222 | |
| 307 | S | A | -1.2538 | |
| 308 | G | A | -1.6898 | |
| 309 | R | A | -2.4465 | |
| 310 | A | A | -1.9776 | |
| 311 | Q | A | -1.2034 | |
| 312 | C | A | -0.4398 | |
| 313 | H | A | -0.4598 | |
| 314 | S | A | -0.9683 | |
| 315 | V | A | 0.0000 | |
| 316 | S | A | -2.1705 | |
| 317 | E | A | -3.1704 | |
| 318 | G | A | -2.3253 | |
| 319 | N | A | -2.5273 | |
| 320 | S | A | -2.2506 | |
| 321 | D | A | -2.8726 | |
| 322 | C | A | -1.8993 | |
| 323 | Y | A | 0.0000 | |
| 324 | F | A | -0.0274 | |
| 325 | G | A | -0.7330 | |
| 326 | N | A | -0.9388 | |
| 327 | G | A | 0.0000 | |
| 328 | S | A | -0.7539 | |
| 329 | A | A | 0.0000 | |
| 330 | Y | A | 0.0000 | |
| 331 | R | A | -1.1667 | |
| 332 | G | A | 0.0000 | |
| 333 | T | A | -0.7905 | |
| 334 | H | A | -1.0577 | |
| 335 | S | A | -0.0515 | |
| 336 | L | A | -0.3137 | |
| 337 | T | A | 0.0000 | |
| 338 | E | A | -2.5706 | |
| 339 | S | A | -1.5055 | |
| 340 | G | A | -1.2524 | |
| 341 | A | A | -0.5666 | |
| 342 | S | A | -0.2997 | |
| 343 | C | A | 0.0000 | |
| 344 | L | A | 0.4015 | |
| 345 | P | A | -0.6992 | |
| 346 | W | A | 0.0000 | |
| 347 | N | A | -1.0330 | |
| 348 | S | A | 0.2110 | |
| 349 | M | A | 1.7017 | |
| 350 | I | A | 1.5355 | |
| 351 | L | A | 0.0000 | |
| 352 | I | A | 2.0344 | |
| 353 | G | A | 0.6211 | |
| 354 | K | A | 0.3613 | |
| 355 | V | A | 1.2412 | |
| 356 | Y | A | 0.3793 | |
| 357 | T | A | 0.0000 | |
| 358 | A | A | -1.1953 | |
| 359 | Q | A | -1.2582 | |
| 360 | N | A | -0.8272 | |
| 361 | P | A | -0.8566 | |
| 362 | S | A | -0.7421 | |
| 363 | A | A | 0.0000 | |
| 364 | Q | A | -1.3502 | |
| 365 | A | A | -0.4301 | |
| 366 | L | A | -0.3959 | |
| 367 | G | A | -0.5956 | |
| 368 | L | A | 0.0000 | |
| 369 | G | A | -1.6184 | |
| 370 | K | A | -2.1160 | |
| 371 | H | A | -1.2405 | |
| 372 | N | A | -0.6664 | |
| 373 | Y | A | -0.0929 | |
| 374 | C | A | 0.0000 | |
| 375 | R | A | 0.0000 | |
| 376 | N | A | 0.0000 | |
| 377 | P | A | -0.6363 | |
| 378 | D | A | -1.5777 | |
| 379 | G | A | -1.5750 | |
| 380 | D | A | -1.3617 | |
| 381 | A | A | -1.0567 | |
| 382 | K | A | -1.2500 | |
| 383 | P | A | 0.0000 | |
| 384 | W | A | 0.0000 | |
| 385 | C | A | 0.0000 | |
| 386 | H | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | L | A | -0.9986 | |
| 389 | K | A | -2.2310 | |
| 390 | N | A | -2.9588 | |
| 391 | R | A | -3.3577 | |
| 392 | R | A | -2.9888 | |
| 393 | L | A | -0.8793 | |
| 394 | T | A | -0.4941 | |
| 395 | W | A | 0.3223 | |
| 396 | E | A | -0.6257 | |
| 397 | Y | A | -0.8161 | |
| 398 | C | A | 0.0000 | |
| 399 | D | A | -2.9886 | |
| 400 | V | A | 0.0000 | |
| 401 | R | A | -2.7760 | |
| 402 | S | A | -1.6424 | |
| 403 | C | A | -0.7680 | |
| 404 | G | A | -1.3890 | |
| 405 | G | A | -1.5586 | |
| 406 | G | A | -1.3707 | |
| 407 | G | A | -1.8511 | |
| 408 | S | A | -2.2911 | |
| 409 | E | A | -3.0309 | |
| 410 | V | A | 0.0000 | |
| 411 | Q | A | -1.5567 | |
| 412 | L | A | 0.0000 | |
| 413 | V | A | 1.2166 | |
| 414 | E | A | 0.0000 | |
| 415 | S | A | -0.4299 | |
| 416 | G | A | -0.9401 | |
| 417 | G | A | -0.8083 | |
| 418 | G | A | -0.0869 | |
| 419 | L | A | 0.9071 | |
| 420 | V | A | 0.0000 | |
| 421 | Q | A | -1.5629 | |
| 422 | P | A | -1.7213 | |
| 423 | G | A | -1.5041 | |
| 424 | G | A | -1.0312 | |
| 425 | S | A | -1.3325 | |
| 426 | L | A | -1.0515 | |
| 427 | R | A | -2.1050 | |
| 428 | L | A | 0.0000 | |
| 429 | S | A | -0.2707 | |
| 430 | C | A | 0.0000 | |
| 431 | A | A | -0.1876 | |
| 432 | A | A | 0.0000 | |
| 433 | S | A | -1.3923 | |
| 434 | G | A | -2.5031 | |
| 435 | R | A | -2.4211 | |
| 436 | T | A | -1.2168 | |
| 437 | F | A | 0.0000 | |
| 438 | S | A | -0.6144 | |
| 439 | Y | A | 0.3679 | |
| 440 | N | A | 0.0000 | |
| 441 | P | A | 0.0000 | |
| 442 | M | A | 0.0000 | |
| 443 | G | A | 0.0000 | |
| 444 | W | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | R | A | -1.1525 | |
| 447 | Q | A | -1.7795 | |
| 448 | A | A | -1.6959 | |
| 449 | P | A | -1.1824 | |
| 450 | G | A | -1.7000 | |
| 451 | K | A | -2.4471 | |
| 452 | G | A | -2.3538 | |
| 453 | R | A | -2.2376 | |
| 454 | E | A | -1.2792 | |
| 455 | L | A | -0.1330 | |
| 456 | V | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | A | A | 0.0000 | |
| 459 | I | A | 0.0000 | |
| 460 | S | A | 0.0000 | |
| 461 | R | A | -1.1363 | |
| 462 | T | A | -0.7778 | |
| 463 | G | A | -1.0015 | |
| 464 | G | A | -1.0177 | |
| 465 | S | A | -0.7674 | |
| 466 | T | A | -0.1574 | |
| 467 | Y | A | 0.0353 | |
| 468 | Y | A | -0.6252 | |
| 469 | P | A | -1.2929 | |
| 470 | D | A | -2.5236 | |
| 471 | S | A | -1.6359 | |
| 472 | V | A | 0.0000 | |
| 473 | E | A | -2.6665 | |
| 474 | G | A | -1.7995 | |
| 475 | R | A | -1.4987 | |
| 476 | F | A | 0.0000 | |
| 477 | T | A | -0.7741 | |
| 478 | I | A | 0.0000 | |
| 479 | S | A | -0.5152 | |
| 480 | R | A | -1.3602 | |
| 481 | D | A | -1.9712 | |
| 482 | N | A | -2.4841 | |
| 483 | A | A | -1.9076 | |
| 484 | K | A | -2.7856 | |
| 485 | R | A | -2.7068 | |
| 486 | M | A | -1.3263 | |
| 487 | V | A | 0.0000 | |
| 488 | Y | A | -0.4996 | |
| 489 | L | A | 0.0000 | |
| 490 | Q | A | -1.2233 | |
| 491 | M | A | 0.0000 | |
| 492 | N | A | -1.4971 | |
| 493 | S | A | -1.3688 | |
| 494 | L | A | 0.0000 | |
| 495 | R | A | -2.6763 | |
| 496 | A | A | -1.8951 | |
| 497 | E | A | -2.3421 | |
| 498 | D | A | 0.0000 | |
| 499 | T | A | -1.0178 | |
| 500 | A | A | 0.0000 | |
| 501 | V | A | -0.7288 | |
| 502 | Y | A | 0.0000 | |
| 503 | Y | A | -0.2491 | |
| 504 | C | A | 0.0000 | |
| 505 | A | A | 0.0000 | |
| 506 | A | A | 0.0000 | |
| 507 | A | A | 0.0000 | |
| 508 | G | A | 0.2009 | |
| 509 | V | A | 0.2804 | |
| 510 | R | A | -2.0075 | |
| 511 | A | A | 0.0000 | |
| 512 | E | A | -3.3952 | |
| 513 | D | A | -3.6001 | |
| 514 | G | A | -2.8230 | |
| 515 | R | A | -3.0945 | |
| 516 | V | A | -1.0148 | |
| 517 | R | A | -0.1526 | |
| 518 | T | A | 0.3743 | |
| 519 | L | A | 1.1138 | |
| 520 | P | A | 0.0640 | |
| 521 | S | A | -0.0464 | |
| 522 | E | A | -0.0202 | |
| 523 | Y | A | 0.0000 | |
| 524 | T | A | 0.2182 | |
| 525 | F | A | -0.0218 | |
| 526 | W | A | 0.2181 | |
| 527 | G | A | -0.0667 | |
| 528 | Q | A | -0.8219 | |
| 529 | G | A | 0.0000 | |
| 530 | T | A | -0.6781 | |
| 531 | Q | A | -1.0676 | |
| 532 | V | A | 0.0000 | |
| 533 | T | A | -0.4035 | |
| 534 | V | A | 0.0000 | |
| 535 | S | A | -0.7303 | |
| 536 | S | A | -0.8780 | |
| 537 | G | A | -1.2042 | |
| 538 | G | A | -1.2601 | |
| 539 | G | A | -1.0752 | |
| 540 | S | A | -1.1054 | |
| 541 | G | A | -1.3460 | |
| 542 | P | A | -1.5508 | |
| 543 | R | A | -2.3828 | |
| 544 | P | A | -1.6427 | |
| 545 | G | A | -1.3437 | |
| 546 | G | A | -1.2428 | |
| 547 | G | A | -1.3929 | |
| 548 | S | A | -1.7377 | |
| 549 | R | A | -2.6599 | |
| 550 | G | A | -2.4056 | |
| 551 | D | A | -2.3967 |
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 | -0.8223 | 3.8178 | View | CSV | PDB |
| 4.5 | -0.8643 | 3.775 | View | CSV | PDB |
| 5.0 | -0.9142 | 3.7192 | View | CSV | PDB |
| 5.5 | -0.9622 | 3.6607 | View | CSV | PDB |
| 6.0 | -0.9983 | 3.6109 | View | CSV | PDB |
| 6.5 | -1.0154 | 3.6277 | View | CSV | PDB |
| 7.0 | -1.0137 | 3.8229 | View | CSV | PDB |
| 7.5 | -0.9997 | 4.0462 | View | CSV | PDB |
| 8.0 | -0.9786 | 4.2801 | View | CSV | PDB |
| 8.5 | -0.9523 | 4.5169 | View | CSV | PDB |
| 9.0 | -0.9212 | 4.7525 | 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