| Chain sequence(s) | MPVAATNSESAMQQVLDNLGSLPNATGAAELDLIFLRGIMESPIVRSLAKAHERLEETKLEAVRDNNLELVQEILRDLAELAEQSSTAAELARILQEPHFQSLLETHDSVASKTYETPPPSPGLDPTFSNQPVPPDAVRMVGIRKTAGEHLGVTFRVEGGELVIARILHGGMVAQQGLLHVGDIIKEVNGQPVGSDPRALQELLRSASGSVILKILPSYQEPHLPRQVFVKCHFDYDPARDSLSPCKEAGLRFNAGDLLQIVNQDDANWWQACHVEGGSAGLIPSQLLEEKRKAFVKRDLELTPTSGTLCGSLSGKKKKRMMYLTTKNAEFDRHELLIYEEVARMPPFRRKTLVLIGAQGVGRRSLKNKLILWDPDRYGTTVPYTSRRPKDSEREGQGYSFVSRGEMEADIRAGRYLEHGEYEGNLYGTRIDSIRGVVASGKVCVLDVNPQAVKVLRTAEFVPYVVFIEAPDYETLRAMNRAALESGVSTKQLTEADLRRTVEESSRIQRGYGHYFDLSLVNSNLERTFRELQTAMEKLRTEPQWVPVSWVY input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b7cdf1ae353cf1/tmp/folded.pdb (00:18:12)
[INFO] Main: Simulation completed successfully. (00:27:24)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 1.4178 | |
| 2 | P | A | 1.1375 | |
| 3 | V | A | 1.9666 | |
| 4 | A | A | 0.8432 | |
| 5 | A | A | 0.1328 | |
| 6 | T | A | -0.6680 | |
| 7 | N | A | -2.2217 | |
| 8 | S | A | -2.3578 | |
| 9 | E | A | -2.9276 | |
| 10 | S | A | -1.8961 | |
| 11 | A | A | -1.5258 | |
| 12 | M | A | 0.0000 | |
| 13 | Q | A | -2.5425 | |
| 14 | Q | A | -2.2755 | |
| 15 | V | A | -1.0775 | |
| 16 | L | A | -1.8474 | |
| 17 | D | A | -2.6488 | |
| 18 | N | A | -2.1511 | |
| 19 | L | A | 0.0000 | |
| 20 | G | A | -1.2829 | |
| 21 | S | A | -1.1204 | |
| 22 | L | A | -0.5584 | |
| 23 | P | A | -0.7511 | |
| 24 | N | A | -1.5859 | |
| 25 | A | A | -0.6991 | |
| 26 | T | A | -0.5515 | |
| 27 | G | A | -0.9789 | |
| 28 | A | A | -0.9350 | |
| 29 | A | A | -0.6523 | |
| 30 | E | A | -0.8845 | |
| 31 | L | A | 1.1148 | |
| 32 | D | A | -0.1724 | |
| 33 | L | A | 0.7819 | |
| 34 | I | A | 2.3483 | |
| 35 | F | A | 2.2743 | |
| 36 | L | A | 1.2142 | |
| 37 | R | A | -0.0568 | |
| 38 | G | A | 0.0641 | |
| 39 | I | A | 0.8743 | |
| 40 | M | A | -0.1189 | |
| 41 | E | A | -1.6721 | |
| 42 | S | A | -0.2743 | |
| 43 | P | A | 0.2748 | |
| 44 | I | A | 1.8561 | |
| 45 | V | A | 0.9810 | |
| 46 | R | A | -0.6359 | |
| 47 | S | A | 0.1813 | |
| 48 | L | A | 0.5602 | |
| 49 | A | A | -0.8880 | |
| 50 | K | A | -1.8353 | |
| 51 | A | A | -1.2811 | |
| 52 | H | A | -2.2301 | |
| 53 | E | A | -3.1665 | |
| 54 | R | A | -2.8177 | |
| 55 | L | A | -1.5533 | |
| 56 | E | A | -3.4765 | |
| 57 | E | A | -3.1096 | |
| 58 | T | A | -2.1772 | |
| 59 | K | A | -2.3210 | |
| 60 | L | A | -0.2786 | |
| 61 | E | A | -1.4026 | |
| 62 | A | A | -0.3884 | |
| 63 | V | A | 0.6848 | |
| 64 | R | A | -1.5946 | |
| 65 | D | A | -3.0247 | |
| 66 | N | A | -2.9246 | |
| 67 | N | A | -2.0472 | |
| 68 | L | A | -1.7404 | |
| 69 | E | A | -2.5845 | |
| 70 | L | A | -1.5401 | |
| 71 | V | A | 0.0000 | |
| 72 | Q | A | -2.4342 | |
| 73 | E | A | -2.9988 | |
| 74 | I | A | -1.4142 | |
| 75 | L | A | -2.1328 | |
| 76 | R | A | -3.2756 | |
| 77 | D | A | -3.0991 | |
| 78 | L | A | 0.0000 | |
| 79 | A | A | -1.9778 | |
| 80 | E | A | -2.7040 | |
| 81 | L | A | -1.2574 | |
| 82 | A | A | -1.7574 | |
| 83 | E | A | -2.5500 | |
| 84 | Q | A | -2.0927 | |
| 85 | S | A | -1.2136 | |
| 86 | S | A | -0.8886 | |
| 87 | T | A | -0.5967 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | -1.2249 | |
| 90 | E | A | -1.3714 | |
| 91 | L | A | -0.1594 | |
| 92 | A | A | -1.2199 | |
| 93 | R | A | -2.1975 | |
| 94 | I | A | -0.6916 | |
| 95 | L | A | 0.0000 | |
| 96 | Q | A | -2.2526 | |
| 97 | E | A | -2.1777 | |
| 98 | P | A | -1.1840 | |
| 99 | H | A | -1.1426 | |
| 100 | F | A | -0.1975 | |
| 101 | Q | A | -0.8764 | |
| 102 | S | A | -0.8116 | |
| 103 | L | A | 0.3463 | |
| 104 | L | A | -0.8049 | |
| 105 | E | A | -1.9575 | |
| 106 | T | A | -0.1111 | |
| 107 | H | A | -0.8300 | |
| 108 | D | A | -1.7259 | |
| 109 | S | A | -0.6729 | |
| 110 | V | A | 0.4208 | |
| 111 | A | A | 0.0000 | |
| 112 | S | A | -1.1586 | |
| 113 | K | A | -1.4563 | |
| 114 | T | A | -0.5525 | |
| 115 | Y | A | 0.1368 | |
| 116 | E | A | -1.4778 | |
| 117 | T | A | -0.8204 | |
| 118 | P | A | -0.6433 | |
| 119 | P | A | -0.6802 | |
| 120 | P | A | -0.7027 | |
| 121 | S | A | -0.5250 | |
| 122 | P | A | -0.5688 | |
| 123 | G | A | -0.4126 | |
| 124 | L | A | 0.3062 | |
| 125 | D | A | -1.0672 | |
| 126 | P | A | -0.3166 | |
| 127 | T | A | 0.1967 | |
| 128 | F | A | 1.0285 | |
| 129 | S | A | -0.2966 | |
| 130 | N | A | -1.3578 | |
| 131 | Q | A | -1.4614 | |
| 132 | P | A | -0.6658 | |
| 133 | V | A | 0.4424 | |
| 134 | P | A | -0.4041 | |
| 135 | P | A | -0.6491 | |
| 136 | D | A | -1.5816 | |
| 137 | A | A | -0.2733 | |
| 138 | V | A | 0.3436 | |
| 139 | R | A | -0.1268 | |
| 140 | M | A | 0.9021 | |
| 141 | V | A | 0.0000 | |
| 142 | G | A | -0.4572 | |
| 143 | I | A | 0.0000 | |
| 144 | R | A | -2.0801 | |
| 145 | K | A | 0.0000 | |
| 146 | T | A | -1.5252 | |
| 147 | A | A | -1.4692 | |
| 148 | G | A | -1.8346 | |
| 149 | E | A | -2.3893 | |
| 150 | H | A | -2.0420 | |
| 151 | L | A | 0.0000 | |
| 152 | G | A | 0.0000 | |
| 153 | V | A | 0.2501 | |
| 154 | T | A | 0.0351 | |
| 155 | F | A | -0.3850 | |
| 156 | R | A | -1.0258 | |
| 157 | V | A | -0.6540 | |
| 158 | E | A | -1.9453 | |
| 159 | G | A | -1.6160 | |
| 160 | G | A | -1.6201 | |
| 161 | E | A | -1.9013 | |
| 162 | L | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | I | A | 0.0000 | |
| 165 | A | A | 0.0245 | |
| 166 | R | A | -0.1835 | |
| 167 | I | A | 0.2024 | |
| 168 | L | A | 0.0000 | |
| 169 | H | A | -0.6518 | |
| 170 | G | A | -1.0047 | |
| 171 | G | A | -0.9267 | |
| 172 | M | A | -1.2089 | |
| 173 | V | A | 0.0000 | |
| 174 | A | A | -0.8589 | |
| 175 | Q | A | -1.5182 | |
| 176 | Q | A | -1.2220 | |
| 177 | G | A | -0.7519 | |
| 178 | L | A | -0.0215 | |
| 179 | L | A | 0.0000 | |
| 180 | H | A | -0.1791 | |
| 181 | V | A | 0.6056 | |
| 182 | G | A | 0.2084 | |
| 183 | D | A | 0.0000 | |
| 184 | I | A | -0.1297 | |
| 185 | I | A | 0.0000 | |
| 186 | K | A | -1.4525 | |
| 187 | E | A | -1.4575 | |
| 188 | V | A | 0.0000 | |
| 189 | N | A | -1.0775 | |
| 190 | G | A | -1.5014 | |
| 191 | Q | A | -1.8995 | |
| 192 | P | A | -1.5282 | |
| 193 | V | A | -1.2042 | |
| 194 | G | A | -1.3617 | |
| 195 | S | A | -1.5466 | |
| 196 | D | A | -1.6076 | |
| 197 | P | A | -1.7826 | |
| 198 | R | A | -2.8675 | |
| 199 | A | A | -2.1509 | |
| 200 | L | A | 0.0000 | |
| 201 | Q | A | -3.0562 | |
| 202 | E | A | -3.2802 | |
| 203 | L | A | -1.8776 | |
| 204 | L | A | 0.0000 | |
| 205 | R | A | -3.2773 | |
| 206 | S | A | -1.6800 | |
| 207 | A | A | -1.4734 | |
| 208 | S | A | -1.3940 | |
| 209 | G | A | -1.1348 | |
| 210 | S | A | -1.1123 | |
| 211 | V | A | 0.0000 | |
| 212 | I | A | 0.0709 | |
| 213 | L | A | 0.0000 | |
| 214 | K | A | -0.4829 | |
| 215 | I | A | 0.0000 | |
| 216 | L | A | 0.0275 | |
| 217 | P | A | 0.1924 | |
| 218 | S | A | 0.0985 | |
| 219 | Y | A | 0.3796 | |
| 220 | Q | A | -1.5970 | |
| 221 | E | A | -2.3210 | |
| 222 | P | A | -1.4124 | |
| 223 | H | A | -1.5327 | |
| 224 | L | A | 0.0522 | |
| 225 | P | A | -1.0779 | |
| 226 | R | A | -2.3082 | |
| 227 | Q | A | -1.8306 | |
| 228 | V | A | -1.1598 | |
| 229 | F | A | -0.6787 | |
| 230 | V | A | 0.0000 | |
| 231 | K | A | -1.0625 | |
| 232 | C | A | 0.0000 | |
| 233 | H | A | -0.7519 | |
| 234 | F | A | -1.1911 | |
| 235 | D | A | -2.7466 | |
| 236 | Y | A | 0.0000 | |
| 237 | D | A | -2.2528 | |
| 238 | P | A | 0.0000 | |
| 239 | A | A | -1.9741 | |
| 240 | R | A | -2.0617 | |
| 241 | D | A | -1.0283 | |
| 242 | S | A | -0.2556 | |
| 243 | L | A | 0.8463 | |
| 244 | S | A | -0.4566 | |
| 245 | P | A | -0.4844 | |
| 246 | C | A | -1.0965 | |
| 247 | K | A | -2.5123 | |
| 248 | E | A | -2.5148 | |
| 249 | A | A | -1.5433 | |
| 250 | G | A | -1.6101 | |
| 251 | L | A | -1.3502 | |
| 252 | R | A | -2.4950 | |
| 253 | F | A | 0.0000 | |
| 254 | N | A | -2.7033 | |
| 255 | A | A | -1.5740 | |
| 256 | G | A | -1.3359 | |
| 257 | D | A | -1.4473 | |
| 258 | L | A | -0.6737 | |
| 259 | L | A | 0.0000 | |
| 260 | Q | A | -0.6345 | |
| 261 | I | A | 0.0000 | |
| 262 | V | A | -1.0047 | |
| 263 | N | A | -1.5679 | |
| 264 | Q | A | -2.1769 | |
| 265 | D | A | -2.6712 | |
| 266 | D | A | -1.9312 | |
| 267 | A | A | -1.0188 | |
| 268 | N | A | -0.8121 | |
| 269 | W | A | 0.0000 | |
| 270 | W | A | -0.9047 | |
| 271 | Q | A | 0.0000 | |
| 272 | A | A | 0.0000 | |
| 273 | C | A | -0.5799 | |
| 274 | H | A | -0.9049 | |
| 275 | V | A | -0.4162 | |
| 276 | E | A | -1.7842 | |
| 277 | G | A | -1.3703 | |
| 278 | G | A | -1.0948 | |
| 279 | S | A | -0.7008 | |
| 280 | A | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | P | A | 0.0000 | |
| 285 | S | A | 0.0000 | |
| 286 | Q | A | -0.4289 | |
| 287 | L | A | 0.0068 | |
| 288 | L | A | 0.0000 | |
| 289 | E | A | 0.0000 | |
| 290 | E | A | -0.8180 | |
| 291 | K | A | -0.7897 | |
| 292 | R | A | -0.3014 | |
| 293 | K | A | -0.7384 | |
| 294 | A | A | -0.0145 | |
| 295 | F | A | 1.4494 | |
| 296 | V | A | 0.5750 | |
| 297 | K | A | -1.6215 | |
| 298 | R | A | -2.6762 | |
| 299 | D | A | -2.2916 | |
| 300 | L | A | -0.3938 | |
| 301 | E | A | -0.9690 | |
| 302 | L | A | 0.7973 | |
| 303 | T | A | 0.2407 | |
| 304 | P | A | -0.1884 | |
| 305 | T | A | -0.1954 | |
| 306 | S | A | -0.5716 | |
| 307 | G | A | -0.3525 | |
| 308 | T | A | 0.5594 | |
| 309 | L | A | 1.6655 | |
| 310 | C | A | 1.2124 | |
| 311 | G | A | 0.4473 | |
| 312 | S | A | 0.5142 | |
| 313 | L | A | 0.8856 | |
| 314 | S | A | -0.4969 | |
| 315 | G | A | -1.7441 | |
| 316 | K | A | -3.3459 | |
| 317 | K | A | -4.2564 | |
| 318 | K | A | -4.3473 | |
| 319 | K | A | -4.0056 | |
| 320 | R | A | -2.8600 | |
| 321 | M | A | -0.5462 | |
| 322 | M | A | 1.0946 | |
| 323 | Y | A | 1.4610 | |
| 324 | L | A | 0.7297 | |
| 325 | T | A | -0.2323 | |
| 326 | T | A | -0.8387 | |
| 327 | K | A | -1.3708 | |
| 328 | N | A | -1.3274 | |
| 329 | A | A | -1.8336 | |
| 330 | E | A | -2.1026 | |
| 331 | F | A | -1.8309 | |
| 332 | D | A | -2.9081 | |
| 333 | R | A | -3.2414 | |
| 334 | H | A | -2.7849 | |
| 335 | E | A | -2.4495 | |
| 336 | L | A | -0.8220 | |
| 337 | L | A | -0.0586 | |
| 338 | I | A | 0.0000 | |
| 339 | Y | A | 0.0000 | |
| 340 | E | A | -0.9387 | |
| 341 | E | A | -1.3480 | |
| 342 | V | A | 0.0000 | |
| 343 | A | A | -0.5599 | |
| 344 | R | A | -1.5404 | |
| 345 | M | A | -0.7640 | |
| 346 | P | A | -1.0299 | |
| 347 | P | A | -1.7072 | |
| 348 | F | A | -1.2981 | |
| 349 | R | A | -2.1204 | |
| 350 | R | A | 0.0000 | |
| 351 | K | A | -1.2813 | |
| 352 | T | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | V | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | I | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | A | A | 0.0000 | |
| 359 | Q | A | -2.1579 | |
| 360 | G | A | -1.5936 | |
| 361 | V | A | 0.0000 | |
| 362 | G | A | -1.1999 | |
| 363 | R | A | -1.5900 | |
| 364 | R | A | -2.5895 | |
| 365 | S | A | -1.5384 | |
| 366 | L | A | 0.0000 | |
| 367 | K | A | 0.0000 | |
| 368 | N | A | -1.1868 | |
| 369 | K | A | -0.7595 | |
| 370 | L | A | 0.0000 | |
| 371 | I | A | 0.2208 | |
| 372 | L | A | 1.1790 | |
| 373 | W | A | 0.7557 | |
| 374 | D | A | -0.3038 | |
| 375 | P | A | -0.8632 | |
| 376 | D | A | -2.0614 | |
| 377 | R | A | -1.5247 | |
| 378 | Y | A | 0.0000 | |
| 379 | G | A | -0.5165 | |
| 380 | T | A | -0.0714 | |
| 381 | T | A | -0.1263 | |
| 382 | V | A | 0.1487 | |
| 383 | P | A | 0.1336 | |
| 384 | Y | A | 0.3662 | |
| 385 | T | A | 0.0000 | |
| 386 | S | A | -1.4882 | |
| 387 | R | A | -1.7443 | |
| 388 | R | A | -2.7874 | |
| 389 | P | A | -2.9765 | |
| 390 | K | A | -3.5652 | |
| 391 | D | A | -3.3245 | |
| 392 | S | A | -2.3251 | |
| 393 | E | A | -3.3625 | |
| 394 | R | A | -3.9523 | |
| 395 | E | A | -3.1518 | |
| 396 | G | A | -2.0778 | |
| 397 | Q | A | -2.6213 | |
| 398 | G | A | -1.4042 | |
| 399 | Y | A | -0.7791 | |
| 400 | S | A | -0.7173 | |
| 401 | F | A | -0.9801 | |
| 402 | V | A | -0.8164 | |
| 403 | S | A | -1.5567 | |
| 404 | R | A | -2.1210 | |
| 405 | G | A | -1.8957 | |
| 406 | E | A | -2.5799 | |
| 407 | M | A | 0.0000 | |
| 408 | E | A | -1.8525 | |
| 409 | A | A | -1.8811 | |
| 410 | D | A | 0.0000 | |
| 411 | I | A | -1.8902 | |
| 412 | R | A | -2.4253 | |
| 413 | A | A | -1.5616 | |
| 414 | G | A | -1.8891 | |
| 415 | R | A | -2.7334 | |
| 416 | Y | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | E | A | -1.2147 | |
| 419 | H | A | -1.4544 | |
| 420 | G | A | -1.1753 | |
| 421 | E | A | -1.9586 | |
| 422 | Y | A | -0.7333 | |
| 423 | E | A | -1.9510 | |
| 424 | G | A | -1.6911 | |
| 425 | N | A | -1.7500 | |
| 426 | L | A | 0.0000 | |
| 427 | Y | A | -0.4596 | |
| 428 | G | A | 0.0000 | |
| 429 | T | A | 0.0000 | |
| 430 | R | A | -1.4944 | |
| 431 | I | A | -1.6479 | |
| 432 | D | A | -2.6258 | |
| 433 | S | A | -1.3924 | |
| 434 | I | A | 0.0000 | |
| 435 | R | A | -2.0817 | |
| 436 | G | A | -1.4331 | |
| 437 | V | A | -0.8026 | |
| 438 | V | A | -0.9565 | |
| 439 | A | A | -0.6321 | |
| 440 | S | A | -0.8846 | |
| 441 | G | A | -1.0728 | |
| 442 | K | A | -1.5241 | |
| 443 | V | A | 0.0000 | |
| 444 | C | A | 0.0000 | |
| 445 | V | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | D | A | -1.1307 | |
| 448 | V | A | 0.0000 | |
| 449 | N | A | -1.7803 | |
| 450 | P | A | 0.0000 | |
| 451 | Q | A | -1.6003 | |
| 452 | A | A | 0.0000 | |
| 453 | V | A | 0.0000 | |
| 454 | K | A | -1.3503 | |
| 455 | V | A | 0.0194 | |
| 456 | L | A | 0.0000 | |
| 457 | R | A | -0.6175 | |
| 458 | T | A | -0.5107 | |
| 459 | A | A | -0.1401 | |
| 460 | E | A | -1.1513 | |
| 461 | F | A | 0.0000 | |
| 462 | V | A | 0.0000 | |
| 463 | P | A | 0.0000 | |
| 464 | Y | A | 0.0000 | |
| 465 | V | A | 0.0000 | |
| 466 | V | A | 0.0000 | |
| 467 | F | A | 0.0000 | |
| 468 | I | A | 0.0000 | |
| 469 | E | A | 0.0176 | |
| 470 | A | A | 0.0000 | |
| 471 | P | A | 0.0000 | |
| 472 | D | A | -2.3552 | |
| 473 | Y | A | -2.7550 | |
| 474 | E | A | -2.7783 | |
| 475 | T | A | -1.9832 | |
| 476 | L | A | 0.0000 | |
| 477 | R | A | -2.7324 | |
| 478 | A | A | -1.4331 | |
| 479 | M | A | -1.1712 | |
| 480 | N | A | -1.8654 | |
| 481 | R | A | -2.6639 | |
| 482 | A | A | -1.3403 | |
| 483 | A | A | -0.9735 | |
| 484 | L | A | -1.4759 | |
| 485 | E | A | -2.0658 | |
| 486 | S | A | -0.9066 | |
| 487 | G | A | -0.5499 | |
| 488 | V | A | 1.0200 | |
| 489 | S | A | -0.5377 | |
| 490 | T | A | -1.0608 | |
| 491 | K | A | -2.0594 | |
| 492 | Q | A | -2.4718 | |
| 493 | L | A | -1.8582 | |
| 494 | T | A | -2.0544 | |
| 495 | E | A | -2.9334 | |
| 496 | A | A | -2.1818 | |
| 497 | D | A | -2.7515 | |
| 498 | L | A | 0.0000 | |
| 499 | R | A | -4.0249 | |
| 500 | R | A | -3.8925 | |
| 501 | T | A | 0.0000 | |
| 502 | V | A | -2.6124 | |
| 503 | E | A | -3.4053 | |
| 504 | E | A | -3.0517 | |
| 505 | S | A | 0.0000 | |
| 506 | S | A | -2.5573 | |
| 507 | R | A | -3.3183 | |
| 508 | I | A | 0.0000 | |
| 509 | Q | A | -2.3534 | |
| 510 | R | A | -3.0216 | |
| 511 | G | A | -2.5933 | |
| 512 | Y | A | 0.0000 | |
| 513 | G | A | -1.4115 | |
| 514 | H | A | -0.7993 | |
| 515 | Y | A | -0.4638 | |
| 516 | F | A | -0.3731 | |
| 517 | D | A | -0.8083 | |
| 518 | L | A | -0.1754 | |
| 519 | S | A | 0.0232 | |
| 520 | L | A | 0.0000 | |
| 521 | V | A | 1.0900 | |
| 522 | N | A | 0.0000 | |
| 523 | S | A | -0.6544 | |
| 524 | N | A | -1.3840 | |
| 525 | L | A | -1.6991 | |
| 526 | E | A | -3.5070 | |
| 527 | R | A | -3.7268 | |
| 528 | T | A | 0.0000 | |
| 529 | F | A | 0.0000 | |
| 530 | R | A | -3.7589 | |
| 531 | E | A | -3.4120 | |
| 532 | L | A | 0.0000 | |
| 533 | Q | A | 0.0000 | |
| 534 | T | A | -2.0549 | |
| 535 | A | A | -1.9139 | |
| 536 | M | A | 0.0000 | |
| 537 | E | A | -2.9763 | |
| 538 | K | A | -3.0692 | |
| 539 | L | A | 0.0000 | |
| 540 | R | A | -3.0555 | |
| 541 | T | A | -2.3723 | |
| 542 | E | A | -2.4447 | |
| 543 | P | A | -1.6012 | |
| 544 | Q | A | 0.0000 | |
| 545 | W | A | -0.6802 | |
| 546 | V | A | 0.0000 | |
| 547 | P | A | -0.1627 | |
| 548 | V | A | 0.5024 | |
| 549 | S | A | 0.5618 | |
| 550 | W | A | 0.8093 | |
| 551 | V | A | 1.5756 | |
| 552 | Y | A | 1.8782 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.7446 | 5.8702 | View | CSV | PDB |
| 4.5 | -0.8384 | 5.6786 | View | CSV | PDB |
| 5.0 | -0.9565 | 5.44 | View | CSV | PDB |
| 5.5 | -1.0784 | 5.1775 | View | CSV | PDB |
| 6.0 | -1.1832 | 4.9127 | View | CSV | PDB |
| 6.5 | -1.2562 | 4.6645 | View | CSV | PDB |
| 7.0 | -1.2944 | 4.4459 | View | CSV | PDB |
| 7.5 | -1.3073 | 4.2581 | View | CSV | PDB |
| 8.0 | -1.3059 | 4.0955 | View | CSV | PDB |
| 8.5 | -1.2945 | 3.9591 | View | CSV | PDB |
| 9.0 | -1.273 | 3.9714 | 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