| Chain sequence(s) |
A: MEESVNQMQPLNEKQIANSQDGYVWQVTDMNRLHRFLCFGSEGGTYYIKEQKLGLENAEALIRLIEDGRGCEVIQEIKSFSQEGRTTKQEPMLFALAICSQCSDISTKQAAFKAVSEVCRIPTHLFTFIQFKKDLKESMKCGMWGRALRKAIADWYNEKGGMALALAVTKYKQRNGWSHKDLLRLSHLKPSSEGLAIVTKYITKGWKEVHELYKEKALSVETEKLLKYLEAVEKVKRTRDELEVIHLIEEHRLVREHLLTNHLKSKEVWKALLQEMPLTALLRNLGKMTANSVLEPGNSEVSLVCEKLCNEKLLKKARIHPFHILIALETYKTGHGLRGKLKWRPDEEILKALDAAFYKTFKTVEPTGKRFLLAVDVSASMNQRVLGSILNASTVAAAMCMVVTRTEKDSYVVAFSDEMVPCPVTTDMTLQQVLMAMSQIPAGGTDCSLPMIWAQKTNTPADVFIVFTDNETFAGGVHPAIALREYRKKMDIPAKLIVCGMTSNGFTIADPDDRGMLDMCGFDTGALDVIRNFTLDMI
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:15:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2e1fb89965c7a41/tmp/folded.pdb (00:15:14)
[INFO] Main: Simulation completed successfully. (00:22:56)
|
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 | -0.3982 | |
| 2 | E | A | -2.1084 | |
| 3 | E | A | -2.3070 | |
| 4 | S | A | -1.2136 | |
| 5 | V | A | -0.4065 | |
| 6 | N | A | -0.6510 | |
| 7 | Q | A | 0.0000 | |
| 8 | M | A | -0.5976 | |
| 9 | Q | A | -1.1679 | |
| 10 | P | A | -1.2868 | |
| 11 | L | A | -0.9564 | |
| 12 | N | A | -2.6347 | |
| 13 | E | A | -3.1101 | |
| 14 | K | A | -2.9591 | |
| 15 | Q | A | 0.0000 | |
| 16 | I | A | -0.7282 | |
| 17 | A | A | -0.5385 | |
| 18 | N | A | 0.0000 | |
| 19 | S | A | -0.4485 | |
| 20 | Q | A | -1.2003 | |
| 21 | D | A | -1.8881 | |
| 22 | G | A | 0.0000 | |
| 23 | Y | A | -0.6875 | |
| 24 | V | A | 0.0000 | |
| 25 | W | A | 0.0000 | |
| 26 | Q | A | -1.0715 | |
| 27 | V | A | 0.0000 | |
| 28 | T | A | -0.6177 | |
| 29 | D | A | -0.9151 | |
| 30 | M | A | 0.0000 | |
| 31 | N | A | -0.5545 | |
| 32 | R | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | H | A | -0.4136 | |
| 35 | R | A | 0.0000 | |
| 36 | F | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | C | A | 0.0000 | |
| 39 | F | A | 0.0000 | |
| 40 | G | A | 0.0000 | |
| 41 | S | A | -1.3572 | |
| 42 | E | A | -2.0553 | |
| 43 | G | A | -2.0037 | |
| 44 | G | A | -2.0244 | |
| 45 | T | A | -0.6616 | |
| 46 | Y | A | 0.5189 | |
| 47 | Y | A | 0.4249 | |
| 48 | I | A | 0.0000 | |
| 49 | K | A | -2.7352 | |
| 50 | E | A | -2.6148 | |
| 51 | Q | A | -2.5111 | |
| 52 | K | A | -2.0918 | |
| 53 | L | A | 0.0000 | |
| 54 | G | A | -1.0760 | |
| 55 | L | A | 0.0580 | |
| 56 | E | A | -0.6204 | |
| 57 | N | A | 0.0000 | |
| 58 | A | A | -0.3829 | |
| 59 | E | A | -1.4777 | |
| 60 | A | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | I | A | -1.2821 | |
| 63 | R | A | -2.3280 | |
| 64 | L | A | 0.0000 | |
| 65 | I | A | 0.0000 | |
| 66 | E | A | -3.2033 | |
| 67 | D | A | -3.2143 | |
| 68 | G | A | -2.4234 | |
| 69 | R | A | -1.8609 | |
| 70 | G | A | 0.0000 | |
| 71 | C | A | -0.5643 | |
| 72 | E | A | -1.2480 | |
| 73 | V | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | Q | A | -1.5941 | |
| 76 | E | A | -1.2522 | |
| 77 | I | A | 0.0000 | |
| 78 | K | A | -1.5555 | |
| 79 | S | A | -1.2929 | |
| 80 | F | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | Q | A | -1.8410 | |
| 83 | E | A | -2.3561 | |
| 84 | G | A | -1.8696 | |
| 85 | R | A | -0.9993 | |
| 86 | T | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | K | A | -0.8235 | |
| 89 | Q | A | -0.6639 | |
| 90 | E | A | -0.7299 | |
| 91 | P | A | 0.0000 | |
| 92 | M | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | F | A | 0.2979 | |
| 95 | A | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | C | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | Q | A | 0.0000 | |
| 102 | C | A | 0.0000 | |
| 103 | S | A | -0.2685 | |
| 104 | D | A | -0.2992 | |
| 105 | I | A | 1.1550 | |
| 106 | S | A | 0.1226 | |
| 107 | T | A | 0.0000 | |
| 108 | K | A | -0.5528 | |
| 109 | Q | A | -1.1490 | |
| 110 | A | A | -1.0056 | |
| 111 | A | A | 0.0000 | |
| 112 | F | A | -1.4073 | |
| 113 | K | A | -2.3425 | |
| 114 | A | A | 0.0000 | |
| 115 | V | A | 0.0000 | |
| 116 | S | A | -1.2967 | |
| 117 | E | A | -1.3237 | |
| 118 | V | A | 0.0000 | |
| 119 | C | A | 0.0000 | |
| 120 | R | A | -0.4102 | |
| 121 | I | A | 0.3456 | |
| 122 | P | A | 0.0000 | |
| 123 | T | A | -0.6470 | |
| 124 | H | A | -0.3812 | |
| 125 | L | A | 0.0000 | |
| 126 | F | A | 0.0000 | |
| 127 | T | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | Q | A | -1.2557 | |
| 131 | F | A | -0.8760 | |
| 132 | K | A | 0.0000 | |
| 133 | K | A | -2.3068 | |
| 134 | D | A | -2.6852 | |
| 135 | L | A | -2.0489 | |
| 136 | K | A | -2.8588 | |
| 137 | E | A | -3.2935 | |
| 138 | S | A | -1.9156 | |
| 139 | M | A | -1.6183 | |
| 140 | K | A | -2.4805 | |
| 141 | C | A | -1.5327 | |
| 142 | G | A | -1.2628 | |
| 143 | M | A | 0.0000 | |
| 144 | W | A | -0.8084 | |
| 145 | G | A | -1.5620 | |
| 146 | R | A | -2.6236 | |
| 147 | A | A | -2.1028 | |
| 148 | L | A | 0.0000 | |
| 149 | R | A | -2.3329 | |
| 150 | K | A | -3.0089 | |
| 151 | A | A | -1.8929 | |
| 152 | I | A | 0.0000 | |
| 153 | A | A | -1.9512 | |
| 154 | D | A | -2.5033 | |
| 155 | W | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | N | A | -2.1475 | |
| 158 | E | A | -2.6520 | |
| 159 | K | A | -1.9058 | |
| 160 | G | A | -1.5607 | |
| 161 | G | A | -1.1533 | |
| 162 | M | A | -0.3156 | |
| 163 | A | A | 0.0704 | |
| 164 | L | A | 0.0000 | |
| 165 | A | A | 0.0000 | |
| 166 | L | A | 0.5405 | |
| 167 | A | A | 0.1283 | |
| 168 | V | A | 0.0000 | |
| 169 | T | A | -0.6783 | |
| 170 | K | A | -1.2219 | |
| 171 | Y | A | -1.2767 | |
| 172 | K | A | -2.5692 | |
| 173 | Q | A | -2.6085 | |
| 174 | R | A | -2.0813 | |
| 175 | N | A | -1.9186 | |
| 176 | G | A | -1.5013 | |
| 177 | W | A | -1.6112 | |
| 178 | S | A | -1.8544 | |
| 179 | H | A | 0.0000 | |
| 180 | K | A | -2.5342 | |
| 181 | D | A | -1.9457 | |
| 182 | L | A | 0.0000 | |
| 183 | L | A | -1.7852 | |
| 184 | R | A | -2.4648 | |
| 185 | L | A | -1.2405 | |
| 186 | S | A | 0.0000 | |
| 187 | H | A | -2.0983 | |
| 188 | L | A | -1.9599 | |
| 189 | K | A | -2.0662 | |
| 190 | P | A | -1.5730 | |
| 191 | S | A | -1.5678 | |
| 192 | S | A | -1.3737 | |
| 193 | E | A | -1.7697 | |
| 194 | G | A | -1.4403 | |
| 195 | L | A | 0.0000 | |
| 196 | A | A | -0.9412 | |
| 197 | I | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | T | A | -0.8776 | |
| 200 | K | A | -1.1397 | |
| 201 | Y | A | -1.1535 | |
| 202 | I | A | -0.9675 | |
| 203 | T | A | -1.6877 | |
| 204 | K | A | -2.5421 | |
| 205 | G | A | -1.7717 | |
| 206 | W | A | -1.9731 | |
| 207 | K | A | -3.1854 | |
| 208 | E | A | -3.1621 | |
| 209 | V | A | 0.0000 | |
| 210 | H | A | -2.9243 | |
| 211 | E | A | -3.5690 | |
| 212 | L | A | -2.0142 | |
| 213 | Y | A | 0.0000 | |
| 214 | K | A | -3.4482 | |
| 215 | E | A | -3.4665 | |
| 216 | K | A | -2.6915 | |
| 217 | A | A | -1.0580 | |
| 218 | L | A | -0.9406 | |
| 219 | S | A | -0.4838 | |
| 220 | V | A | 0.1705 | |
| 221 | E | A | -1.9255 | |
| 222 | T | A | 0.0000 | |
| 223 | E | A | -2.0812 | |
| 224 | K | A | -2.5460 | |
| 225 | L | A | 0.0000 | |
| 226 | L | A | -2.0010 | |
| 227 | K | A | -2.4848 | |
| 228 | Y | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -1.9423 | |
| 231 | A | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | E | A | -1.6128 | |
| 234 | K | A | -2.0244 | |
| 235 | V | A | 0.0000 | |
| 236 | K | A | -2.0452 | |
| 237 | R | A | -3.0348 | |
| 238 | T | A | -2.8490 | |
| 239 | R | A | -3.5190 | |
| 240 | D | A | -3.1038 | |
| 241 | E | A | -2.2416 | |
| 242 | L | A | -0.8453 | |
| 243 | E | A | -1.9263 | |
| 244 | V | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | H | A | -2.4269 | |
| 247 | L | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | E | A | -4.1084 | |
| 250 | E | A | -3.5703 | |
| 251 | H | A | -2.8330 | |
| 252 | R | A | -3.4838 | |
| 253 | L | A | 0.0000 | |
| 254 | V | A | -1.7017 | |
| 255 | R | A | -1.7841 | |
| 256 | E | A | -2.1320 | |
| 257 | H | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | L | A | -1.2157 | |
| 260 | T | A | -1.0708 | |
| 261 | N | A | -1.8985 | |
| 262 | H | A | 0.0000 | |
| 263 | L | A | -1.5196 | |
| 264 | K | A | -2.3716 | |
| 265 | S | A | -2.0930 | |
| 266 | K | A | -2.0440 | |
| 267 | E | A | -2.2190 | |
| 268 | V | A | 0.0000 | |
| 269 | W | A | 0.0000 | |
| 270 | K | A | -1.6032 | |
| 271 | A | A | -1.9781 | |
| 272 | L | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | Q | A | -2.2546 | |
| 275 | E | A | -2.9101 | |
| 276 | M | A | 0.0000 | |
| 277 | P | A | -0.5820 | |
| 278 | L | A | 0.0000 | |
| 279 | T | A | -0.6594 | |
| 280 | A | A | -0.8059 | |
| 281 | L | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | R | A | -1.8863 | |
| 284 | N | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | G | A | -1.3955 | |
| 287 | K | A | -1.1138 | |
| 288 | M | A | 0.0000 | |
| 289 | T | A | -1.0394 | |
| 290 | A | A | -1.1356 | |
| 291 | N | A | -1.2193 | |
| 292 | S | A | -0.8414 | |
| 293 | V | A | 0.0000 | |
| 294 | L | A | 0.0000 | |
| 295 | E | A | -1.3808 | |
| 296 | P | A | -1.7079 | |
| 297 | G | A | -1.3233 | |
| 298 | N | A | -1.1433 | |
| 299 | S | A | -0.7471 | |
| 300 | E | A | -0.9931 | |
| 301 | V | A | 0.0000 | |
| 302 | S | A | -1.1909 | |
| 303 | L | A | -0.7121 | |
| 304 | V | A | 0.0000 | |
| 305 | C | A | -1.5349 | |
| 306 | E | A | -2.1085 | |
| 307 | K | A | -1.4676 | |
| 308 | L | A | 0.0000 | |
| 309 | C | A | -1.6272 | |
| 310 | N | A | -2.5763 | |
| 311 | E | A | -3.5603 | |
| 312 | K | A | -3.6009 | |
| 313 | L | A | -2.2976 | |
| 314 | L | A | 0.0000 | |
| 315 | K | A | -4.2663 | |
| 316 | K | A | -3.4397 | |
| 317 | A | A | -2.0826 | |
| 318 | R | A | -2.6125 | |
| 319 | I | A | 0.0000 | |
| 320 | H | A | 0.0000 | |
| 321 | P | A | 0.0000 | |
| 322 | F | A | 0.0000 | |
| 323 | H | A | -0.3611 | |
| 324 | I | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | I | A | 0.2340 | |
| 327 | A | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | E | A | -0.4448 | |
| 330 | T | A | -0.3027 | |
| 331 | Y | A | 0.0000 | |
| 332 | K | A | -1.4274 | |
| 333 | T | A | -1.0103 | |
| 334 | G | A | 0.0000 | |
| 335 | H | A | -2.0120 | |
| 336 | G | A | -1.0808 | |
| 337 | L | A | 0.1701 | |
| 338 | R | A | -1.7268 | |
| 339 | G | A | -2.0406 | |
| 340 | K | A | -2.4440 | |
| 341 | L | A | -1.7226 | |
| 342 | K | A | -2.5407 | |
| 343 | W | A | -1.9308 | |
| 344 | R | A | -2.6361 | |
| 345 | P | A | -2.0254 | |
| 346 | D | A | 0.0000 | |
| 347 | E | A | -2.9671 | |
| 348 | E | A | -3.1444 | |
| 349 | I | A | 0.0000 | |
| 350 | L | A | -1.9779 | |
| 351 | K | A | -2.6684 | |
| 352 | A | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | D | A | -1.0319 | |
| 355 | A | A | -0.8108 | |
| 356 | A | A | 0.0000 | |
| 357 | F | A | 0.0000 | |
| 358 | Y | A | -0.7408 | |
| 359 | K | A | -2.0969 | |
| 360 | T | A | -1.8510 | |
| 361 | F | A | 0.0000 | |
| 362 | K | A | -2.3121 | |
| 363 | T | A | -1.4299 | |
| 364 | V | A | -1.3993 | |
| 365 | E | A | -2.1779 | |
| 366 | P | A | -1.7252 | |
| 367 | T | A | -1.4197 | |
| 368 | G | A | -1.9952 | |
| 369 | K | A | -1.9124 | |
| 370 | R | A | -1.8650 | |
| 371 | F | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | D | A | 0.0000 | |
| 377 | V | A | 0.0000 | |
| 378 | S | A | 0.0000 | |
| 379 | A | A | -0.1825 | |
| 380 | S | A | 0.0000 | |
| 381 | M | A | 0.0000 | |
| 382 | N | A | -1.3912 | |
| 383 | Q | A | 0.0000 | |
| 384 | R | A | -2.0526 | |
| 385 | V | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | G | A | -1.1197 | |
| 388 | S | A | -0.2248 | |
| 389 | I | A | 0.8357 | |
| 390 | L | A | 0.0000 | |
| 391 | N | A | -1.2009 | |
| 392 | A | A | 0.0000 | |
| 393 | S | A | 0.0000 | |
| 394 | T | A | 0.0000 | |
| 395 | V | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | M | A | 0.0000 | |
| 400 | C | A | 0.0000 | |
| 401 | M | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | V | A | 0.0000 | |
| 404 | T | A | 0.0000 | |
| 405 | R | A | -1.5252 | |
| 406 | T | A | -1.3857 | |
| 407 | E | A | 0.0000 | |
| 408 | K | A | -2.9164 | |
| 409 | D | A | -2.9301 | |
| 410 | S | A | -1.2411 | |
| 411 | Y | A | 0.4935 | |
| 412 | V | A | 0.7213 | |
| 413 | V | A | 0.0000 | |
| 414 | A | A | 0.0000 | |
| 415 | F | A | 0.0000 | |
| 416 | S | A | 0.0000 | |
| 417 | D | A | -2.5776 | |
| 418 | E | A | -2.5353 | |
| 419 | M | A | -0.8995 | |
| 420 | V | A | -0.4836 | |
| 421 | P | A | -0.2116 | |
| 422 | C | A | 0.2151 | |
| 423 | P | A | -0.1629 | |
| 424 | V | A | 0.0000 | |
| 425 | T | A | -0.4859 | |
| 426 | T | A | -1.2111 | |
| 427 | D | A | -1.8757 | |
| 428 | M | A | -0.9469 | |
| 429 | T | A | -0.9689 | |
| 430 | L | A | 0.0000 | |
| 431 | Q | A | -0.7951 | |
| 432 | Q | A | -0.6576 | |
| 433 | V | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | M | A | 0.0969 | |
| 436 | A | A | -0.2446 | |
| 437 | M | A | 0.0000 | |
| 438 | S | A | -0.6713 | |
| 439 | Q | A | -1.0934 | |
| 440 | I | A | -0.4284 | |
| 441 | P | A | -0.4364 | |
| 442 | A | A | -0.8251 | |
| 443 | G | A | -1.0374 | |
| 444 | G | A | -1.0677 | |
| 445 | T | A | 0.0000 | |
| 446 | D | A | 0.0000 | |
| 447 | C | A | 0.0000 | |
| 448 | S | A | 0.0000 | |
| 449 | L | A | -0.3108 | |
| 450 | P | A | 0.0000 | |
| 451 | M | A | 0.0000 | |
| 452 | I | A | -0.2491 | |
| 453 | W | A | -0.6567 | |
| 454 | A | A | 0.0000 | |
| 455 | Q | A | -2.1391 | |
| 456 | K | A | -2.2717 | |
| 457 | T | A | -1.5046 | |
| 458 | N | A | -2.0915 | |
| 459 | T | A | -0.9574 | |
| 460 | P | A | -0.7427 | |
| 461 | A | A | 0.0000 | |
| 462 | D | A | -0.7288 | |
| 463 | V | A | 0.0000 | |
| 464 | F | A | 0.0000 | |
| 465 | I | A | 0.0000 | |
| 466 | V | A | 0.0000 | |
| 467 | F | A | 0.0000 | |
| 468 | T | A | 0.0000 | |
| 469 | D | A | 0.0000 | |
| 470 | N | A | 0.0000 | |
| 471 | E | A | 0.0000 | |
| 472 | T | A | 0.0000 | |
| 473 | F | A | -0.4398 | |
| 474 | A | A | -0.6119 | |
| 475 | G | A | 0.0000 | |
| 476 | G | A | -0.3171 | |
| 477 | V | A | 0.0060 | |
| 478 | H | A | 0.0000 | |
| 479 | P | A | 0.0000 | |
| 480 | A | A | 0.0000 | |
| 481 | I | A | 0.2357 | |
| 482 | A | A | 0.0000 | |
| 483 | L | A | 0.0000 | |
| 484 | R | A | -1.5886 | |
| 485 | E | A | -2.4949 | |
| 486 | Y | A | 0.0000 | |
| 487 | R | A | -2.6926 | |
| 488 | K | A | -3.7400 | |
| 489 | K | A | -3.8120 | |
| 490 | M | A | -2.7860 | |
| 491 | D | A | -2.9855 | |
| 492 | I | A | -1.5877 | |
| 493 | P | A | -1.0398 | |
| 494 | A | A | 0.0000 | |
| 495 | K | A | -0.6450 | |
| 496 | L | A | 0.0000 | |
| 497 | I | A | 0.0000 | |
| 498 | V | A | 0.0000 | |
| 499 | C | A | 0.0000 | |
| 500 | G | A | 0.0000 | |
| 501 | M | A | 0.0000 | |
| 502 | T | A | 0.0000 | |
| 503 | S | A | 0.0000 | |
| 504 | N | A | 0.0000 | |
| 505 | G | A | 0.0000 | |
| 506 | F | A | -0.0195 | |
| 507 | T | A | 0.0000 | |
| 508 | I | A | 0.0000 | |
| 509 | A | A | 0.0000 | |
| 510 | D | A | -1.4407 | |
| 511 | P | A | -1.9380 | |
| 512 | D | A | -2.5327 | |
| 513 | D | A | -2.1244 | |
| 514 | R | A | -2.4478 | |
| 515 | G | A | -1.6159 | |
| 516 | M | A | 0.0000 | |
| 517 | L | A | -0.2710 | |
| 518 | D | A | -0.1551 | |
| 519 | M | A | 0.0000 | |
| 520 | C | A | 0.0000 | |
| 521 | G | A | 0.0000 | |
| 522 | F | A | 0.0000 | |
| 523 | D | A | 0.0000 | |
| 524 | T | A | -0.8007 | |
| 525 | G | A | -0.7003 | |
| 526 | A | A | 0.0000 | |
| 527 | L | A | 0.0000 | |
| 528 | D | A | -0.8989 | |
| 529 | V | A | 0.5689 | |
| 530 | I | A | 0.0000 | |
| 531 | R | A | -0.6247 | |
| 532 | N | A | 0.1587 | |
| 533 | F | A | 0.0000 | |
| 534 | T | A | 0.0000 | |
| 535 | L | A | 0.0574 | |
| 536 | D | A | -0.8660 | |
| 537 | M | A | 0.9502 | |
| 538 | I | A | 1.6998 |
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 | -0.9684 | 3.0032 | View | CSV | PDB |
| 4.5 | -1.0308 | 2.9002 | View | CSV | PDB |
| 5.0 | -1.1085 | 2.7797 | View | CSV | PDB |
| 5.5 | -1.1838 | 2.6522 | View | CSV | PDB |
| 6.0 | -1.2365 | 2.5224 | View | CSV | PDB |
| 6.5 | -1.2508 | 2.392 | View | CSV | PDB |
| 7.0 | -1.2259 | 2.2618 | View | CSV | PDB |
| 7.5 | -1.1752 | 2.1331 | View | CSV | PDB |
| 8.0 | -1.1114 | 2.0285 | View | CSV | PDB |
| 8.5 | -1.0403 | 2.0277 | View | CSV | PDB |
| 9.0 | -0.963 | 2.0275 | 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