| Chain sequence(s) |
A: MSPILGYWKIKGLVQPTRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLEFPNLPYYIDGDVKLTQSMAIIRYIADKHNMLGGCPKERAEISMLEGAVLDIRYGVSRIAYSKDFETLKVDFLSKLPEMLKMFEDRLCHKTYLNGDHVTHPDFMLYDALDVVLYMDPMCLDAFPKLVCFKKRIEAIPQIDKYLKSSKYIAWPLQGWQATFGGGDHPPKSDLVPRGSPGGSMGPKRRQLTFREKSRIIQEVEENPDLRKGEIARRFNIPPSTLSTILKNKRAILASERKYGVASTCRKTNKLSPYDKLEGLLIAWFQQIRAAGLPVKGIILKEKALRIAEELGMDDFTASNGWLDRFRRRHGVVSCSGVARGSGEGDVDSDEEEEEDEESSSEGLEAEDWAQGVVEAGGSFGAYGAQEEAQCPTLHFLEGGEDSDSDSEEEDDEEEDDEDEDDDDDEEDGDEVPVPSFGEAMAYFAMVKRYLTSFPIDDRVQSHILHLEHDLVHVTRKNHARQAGVRGLGHQSGGSHHHHHH
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] (00:00:00)
[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 (00:08:44)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d0176fb718ff4f0/tmp/folded.pdb (00:08:44)
[INFO] Main: Simulation completed successfully. (00:11:32)
|
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 | 0.5606 | |
| 2 | S | A | -0.4956 | |
| 3 | P | A | 0.0000 | |
| 4 | I | A | -0.7759 | |
| 5 | L | A | 0.0000 | |
| 6 | G | A | 0.0000 | |
| 7 | Y | A | 0.0000 | |
| 8 | W | A | -0.8149 | |
| 9 | K | A | -1.3528 | |
| 10 | I | A | 0.0000 | |
| 11 | K | A | 0.0000 | |
| 12 | G | A | 0.0000 | |
| 13 | L | A | 0.1661 | |
| 14 | V | A | 0.0000 | |
| 15 | Q | A | 0.0000 | |
| 16 | P | A | 0.0000 | |
| 17 | T | A | 0.0000 | |
| 18 | R | A | 0.0000 | |
| 19 | L | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | E | A | -1.3410 | |
| 23 | Y | A | -0.7450 | |
| 24 | L | A | -1.0035 | |
| 25 | E | A | -2.2857 | |
| 26 | E | A | -2.0620 | |
| 27 | K | A | -2.4520 | |
| 28 | Y | A | -1.7479 | |
| 29 | E | A | -1.9763 | |
| 30 | E | A | -1.5512 | |
| 31 | H | A | -0.7797 | |
| 32 | L | A | -0.7917 | |
| 33 | Y | A | 0.0000 | |
| 34 | E | A | -3.0114 | |
| 35 | R | A | -3.6722 | |
| 36 | D | A | -3.6725 | |
| 37 | E | A | -3.3516 | |
| 38 | G | A | 0.0000 | |
| 39 | D | A | -3.6771 | |
| 40 | K | A | -3.5365 | |
| 41 | W | A | 0.0000 | |
| 42 | R | A | -2.9446 | |
| 43 | N | A | -3.0001 | |
| 44 | K | A | -2.3774 | |
| 45 | K | A | -1.2006 | |
| 46 | F | A | 0.1702 | |
| 47 | E | A | -1.5973 | |
| 48 | L | A | -0.9341 | |
| 49 | G | A | -0.8973 | |
| 50 | L | A | 0.0000 | |
| 51 | E | A | -0.8597 | |
| 52 | F | A | 0.8955 | |
| 53 | P | A | 0.0063 | |
| 54 | N | A | -0.1178 | |
| 55 | L | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | D | A | -0.7272 | |
| 61 | G | A | -1.2389 | |
| 62 | D | A | -2.0788 | |
| 63 | V | A | -1.0077 | |
| 64 | K | A | -1.2483 | |
| 65 | L | A | -0.4979 | |
| 66 | T | A | -0.4811 | |
| 67 | Q | A | -1.0354 | |
| 68 | S | A | -0.5686 | |
| 69 | M | A | -0.3781 | |
| 70 | A | A | -0.4709 | |
| 71 | I | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | R | A | -1.3944 | |
| 74 | Y | A | -1.1742 | |
| 75 | I | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | D | A | -3.1096 | |
| 78 | K | A | -2.8117 | |
| 79 | H | A | -2.2425 | |
| 80 | N | A | -2.4965 | |
| 81 | M | A | -1.7397 | |
| 82 | L | A | -1.7057 | |
| 83 | G | A | -1.7460 | |
| 84 | G | A | -1.1963 | |
| 85 | C | A | -1.0762 | |
| 86 | P | A | -1.7268 | |
| 87 | K | A | -2.7588 | |
| 88 | E | A | -2.4880 | |
| 89 | R | A | -2.2040 | |
| 90 | A | A | -1.6811 | |
| 91 | E | A | -2.0113 | |
| 92 | I | A | 0.0000 | |
| 93 | S | A | -0.8318 | |
| 94 | M | A | -0.1194 | |
| 95 | L | A | 0.0000 | |
| 96 | E | A | 0.0000 | |
| 97 | G | A | -0.2437 | |
| 98 | A | A | -0.3900 | |
| 99 | V | A | 0.0000 | |
| 100 | L | A | -0.5745 | |
| 101 | D | A | -1.5195 | |
| 102 | I | A | 0.0000 | |
| 103 | R | A | 0.0000 | |
| 104 | Y | A | -0.5688 | |
| 105 | G | A | -1.2237 | |
| 106 | V | A | 0.0000 | |
| 107 | S | A | -0.5358 | |
| 108 | R | A | -1.2633 | |
| 109 | I | A | -1.2307 | |
| 110 | A | A | 0.0000 | |
| 111 | Y | A | -0.7456 | |
| 112 | S | A | -1.4650 | |
| 113 | K | A | -2.2322 | |
| 114 | D | A | -2.2315 | |
| 115 | F | A | 0.0000 | |
| 116 | E | A | -2.7825 | |
| 117 | T | A | 0.0000 | |
| 118 | L | A | -1.5864 | |
| 119 | K | A | -1.2865 | |
| 120 | V | A | -1.4767 | |
| 121 | D | A | -2.1914 | |
| 122 | F | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | S | A | -1.7149 | |
| 125 | K | A | -2.6409 | |
| 126 | L | A | 0.0000 | |
| 127 | P | A | -1.7892 | |
| 128 | E | A | -2.7075 | |
| 129 | M | A | -1.7473 | |
| 130 | L | A | 0.0000 | |
| 131 | K | A | -2.1998 | |
| 132 | M | A | -1.1710 | |
| 133 | F | A | 0.0000 | |
| 134 | E | A | 0.0000 | |
| 135 | D | A | -1.9486 | |
| 136 | R | A | -1.3876 | |
| 137 | L | A | 0.0000 | |
| 138 | C | A | -0.9681 | |
| 139 | H | A | -1.6514 | |
| 140 | K | A | -1.9450 | |
| 141 | T | A | -1.4464 | |
| 142 | Y | A | -1.2188 | |
| 143 | L | A | 0.0000 | |
| 144 | N | A | -1.4436 | |
| 145 | G | A | -1.8173 | |
| 146 | D | A | -2.6322 | |
| 147 | H | A | -2.0019 | |
| 148 | V | A | 0.0000 | |
| 149 | T | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | D | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | M | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | D | A | 0.0000 | |
| 158 | A | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | D | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | L | A | 0.4056 | |
| 164 | Y | A | 0.5020 | |
| 165 | M | A | 0.0000 | |
| 166 | D | A | -0.0097 | |
| 167 | P | A | -0.0146 | |
| 168 | M | A | -0.5478 | |
| 169 | C | A | -0.4489 | |
| 170 | L | A | 0.0000 | |
| 171 | D | A | -1.6640 | |
| 172 | A | A | -1.0025 | |
| 173 | F | A | 0.0000 | |
| 174 | P | A | -0.4244 | |
| 175 | K | A | -0.8936 | |
| 176 | L | A | 0.0000 | |
| 177 | V | A | 0.0899 | |
| 178 | C | A | -0.0207 | |
| 179 | F | A | 0.0000 | |
| 180 | K | A | 0.0000 | |
| 181 | K | A | -1.7314 | |
| 182 | R | A | -1.2554 | |
| 183 | I | A | 0.0000 | |
| 184 | E | A | -1.4131 | |
| 185 | A | A | -1.2069 | |
| 186 | I | A | -0.8422 | |
| 187 | P | A | -0.9686 | |
| 188 | Q | A | -1.3680 | |
| 189 | I | A | 0.0000 | |
| 190 | D | A | -1.9665 | |
| 191 | K | A | -2.6332 | |
| 192 | Y | A | 0.0000 | |
| 193 | L | A | -1.6846 | |
| 194 | K | A | -2.6390 | |
| 195 | S | A | -1.9062 | |
| 196 | S | A | -1.4614 | |
| 197 | K | A | -1.9293 | |
| 198 | Y | A | -1.0519 | |
| 199 | I | A | 0.0000 | |
| 200 | A | A | -0.2214 | |
| 201 | W | A | -0.5846 | |
| 202 | P | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | Q | A | 0.0000 | |
| 205 | G | A | 0.0000 | |
| 206 | W | A | -1.4357 | |
| 207 | Q | A | -1.1705 | |
| 208 | A | A | 0.0000 | |
| 209 | T | A | -0.9180 | |
| 210 | F | A | 0.0000 | |
| 211 | G | A | 0.0000 | |
| 212 | G | A | -0.9316 | |
| 213 | G | A | -1.7811 | |
| 214 | D | A | -2.6831 | |
| 215 | H | A | -2.2514 | |
| 216 | P | A | -1.2860 | |
| 217 | P | A | -1.6533 | |
| 218 | K | A | -2.2448 | |
| 219 | S | A | -1.7143 | |
| 220 | D | A | -2.4129 | |
| 221 | L | A | -0.5081 | |
| 222 | V | A | -0.2093 | |
| 223 | P | A | -0.7878 | |
| 224 | R | A | -2.0917 | |
| 225 | G | A | -1.6488 | |
| 226 | S | A | -1.3138 | |
| 227 | P | A | -1.1071 | |
| 228 | G | A | -0.9641 | |
| 229 | G | A | -0.6635 | |
| 230 | S | A | -0.1926 | |
| 231 | M | A | 0.3365 | |
| 232 | G | A | -0.7720 | |
| 233 | P | A | -2.0774 | |
| 234 | K | A | -3.2468 | |
| 235 | R | A | -3.4417 | |
| 236 | R | A | -3.0651 | |
| 237 | Q | A | -2.5485 | |
| 238 | L | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | R | A | -0.9055 | |
| 242 | E | A | -0.9358 | |
| 243 | K | A | -1.0469 | |
| 244 | S | A | 0.0000 | |
| 245 | R | A | -1.3547 | |
| 246 | I | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | Q | A | -2.5061 | |
| 249 | E | A | -2.2651 | |
| 250 | V | A | 0.0000 | |
| 251 | E | A | -3.4887 | |
| 252 | E | A | -3.4243 | |
| 253 | N | A | -2.8667 | |
| 254 | P | A | -2.6227 | |
| 255 | D | A | -2.8415 | |
| 256 | L | A | -2.5892 | |
| 257 | R | A | -3.2625 | |
| 258 | K | A | -3.4037 | |
| 259 | G | A | -2.8376 | |
| 260 | E | A | -3.6144 | |
| 261 | I | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | R | A | -3.8260 | |
| 264 | R | A | -3.4663 | |
| 265 | F | A | -2.0864 | |
| 266 | N | A | -2.6875 | |
| 267 | I | A | 0.0000 | |
| 268 | P | A | -1.2412 | |
| 269 | P | A | -1.4466 | |
| 270 | S | A | -0.5009 | |
| 271 | T | A | -0.6120 | |
| 272 | L | A | 0.0000 | |
| 273 | S | A | -1.0795 | |
| 274 | T | A | -0.9351 | |
| 275 | I | A | 0.0000 | |
| 276 | L | A | -1.2072 | |
| 277 | K | A | -2.2385 | |
| 278 | N | A | -1.8960 | |
| 279 | K | A | -2.0418 | |
| 280 | R | A | -2.3172 | |
| 281 | A | A | -1.5618 | |
| 282 | I | A | 0.0000 | |
| 283 | L | A | -1.5411 | |
| 284 | A | A | -1.5524 | |
| 285 | S | A | 0.0000 | |
| 286 | E | A | -2.0125 | |
| 287 | R | A | -2.6931 | |
| 288 | K | A | -2.5288 | |
| 289 | Y | A | -1.4802 | |
| 290 | G | A | -1.1209 | |
| 291 | V | A | -0.5448 | |
| 292 | A | A | -0.9336 | |
| 293 | S | A | 0.0000 | |
| 294 | T | A | -0.1602 | |
| 295 | C | A | -0.5049 | |
| 296 | R | A | -1.3930 | |
| 297 | K | A | -2.0528 | |
| 298 | T | A | -1.7096 | |
| 299 | N | A | -1.9747 | |
| 300 | K | A | -1.8970 | |
| 301 | L | A | -0.1860 | |
| 302 | S | A | 0.0000 | |
| 303 | P | A | -0.5794 | |
| 304 | Y | A | -0.7483 | |
| 305 | D | A | -1.6703 | |
| 306 | K | A | -1.9046 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | 0.0000 | |
| 309 | G | A | -0.6085 | |
| 310 | L | A | 0.2265 | |
| 311 | L | A | 0.0000 | |
| 312 | I | A | 0.1527 | |
| 313 | A | A | -0.0822 | |
| 314 | W | A | -0.4183 | |
| 315 | F | A | -0.7665 | |
| 316 | Q | A | -1.9287 | |
| 317 | Q | A | -1.9285 | |
| 318 | I | A | 0.0000 | |
| 319 | R | A | -2.1295 | |
| 320 | A | A | -1.3741 | |
| 321 | A | A | -1.0481 | |
| 322 | G | A | -1.3826 | |
| 323 | L | A | 0.0000 | |
| 324 | P | A | -0.5460 | |
| 325 | V | A | 0.0000 | |
| 326 | K | A | 0.0837 | |
| 327 | G | A | 0.1357 | |
| 328 | I | A | 0.9921 | |
| 329 | I | A | -0.1456 | |
| 330 | L | A | 0.0000 | |
| 331 | K | A | -0.9965 | |
| 332 | E | A | -1.8821 | |
| 333 | K | A | -1.6233 | |
| 334 | A | A | 0.0000 | |
| 335 | L | A | -2.1021 | |
| 336 | R | A | -3.3523 | |
| 337 | I | A | 0.0000 | |
| 338 | A | A | 0.0000 | |
| 339 | E | A | -3.8361 | |
| 340 | E | A | -3.0489 | |
| 341 | L | A | -1.9736 | |
| 342 | G | A | -2.3188 | |
| 343 | M | A | -2.2790 | |
| 344 | D | A | -2.9814 | |
| 345 | D | A | -2.8538 | |
| 346 | F | A | 0.0000 | |
| 347 | T | A | -1.0814 | |
| 348 | A | A | 0.0000 | |
| 349 | S | A | -1.1716 | |
| 350 | N | A | -1.7147 | |
| 351 | G | A | -1.5929 | |
| 352 | W | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | D | A | -2.7364 | |
| 355 | R | A | -3.3631 | |
| 356 | F | A | 0.0000 | |
| 357 | R | A | -2.1494 | |
| 358 | R | A | -3.4339 | |
| 359 | R | A | -2.1757 | |
| 360 | H | A | -1.2939 | |
| 361 | G | A | -1.6264 | |
| 362 | V | A | 0.0000 | |
| 363 | V | A | -0.0377 | |
| 364 | S | A | 0.0385 | |
| 365 | C | A | 0.5575 | |
| 366 | S | A | 0.1957 | |
| 367 | G | A | 0.2603 | |
| 368 | V | A | 1.1012 | |
| 369 | A | A | -0.2769 | |
| 370 | R | A | -1.7500 | |
| 371 | G | A | -1.3752 | |
| 372 | S | A | -1.4522 | |
| 373 | G | A | -1.8389 | |
| 374 | E | A | -2.7015 | |
| 375 | G | A | -2.0267 | |
| 376 | D | A | -1.9547 | |
| 377 | V | A | -0.3358 | |
| 378 | D | A | -1.9800 | |
| 379 | S | A | -2.2268 | |
| 380 | D | A | -3.6452 | |
| 381 | E | A | -4.5424 | |
| 382 | E | A | -4.6894 | |
| 383 | E | A | -4.9989 | |
| 384 | E | A | -4.8557 | |
| 385 | E | A | -4.9616 | |
| 386 | D | A | -4.6413 | |
| 387 | E | A | -4.3061 | |
| 388 | E | A | -3.5206 | |
| 389 | S | A | -2.0849 | |
| 390 | S | A | -1.7153 | |
| 391 | S | A | -1.4074 | |
| 392 | E | A | -2.0754 | |
| 393 | G | A | -1.1418 | |
| 394 | L | A | -0.3415 | |
| 395 | E | A | -2.1362 | |
| 396 | A | A | -1.8411 | |
| 397 | E | A | -2.8348 | |
| 398 | D | A | -2.3538 | |
| 399 | W | A | -1.2461 | |
| 400 | A | A | -0.9583 | |
| 401 | Q | A | -1.4628 | |
| 402 | G | A | -0.8533 | |
| 403 | V | A | 0.0033 | |
| 404 | V | A | 0.2635 | |
| 405 | E | A | -1.4845 | |
| 406 | A | A | -0.5848 | |
| 407 | G | A | -0.4199 | |
| 408 | G | A | -0.2611 | |
| 409 | S | A | 0.2596 | |
| 410 | F | A | 1.5019 | |
| 411 | G | A | 0.3876 | |
| 412 | A | A | 0.7674 | |
| 413 | Y | A | 1.1293 | |
| 414 | G | A | -0.3718 | |
| 415 | A | A | -1.1749 | |
| 416 | Q | A | -2.4805 | |
| 417 | E | A | -3.4695 | |
| 418 | E | A | -3.2497 | |
| 419 | A | A | -1.9429 | |
| 420 | Q | A | -1.6337 | |
| 421 | C | A | -0.0202 | |
| 422 | P | A | 0.0378 | |
| 423 | T | A | 0.5660 | |
| 424 | L | A | 1.7585 | |
| 425 | H | A | 0.8576 | |
| 426 | F | A | 2.0539 | |
| 427 | L | A | 1.3389 | |
| 428 | E | A | -1.1824 | |
| 429 | G | A | -1.3522 | |
| 430 | G | A | -2.2215 | |
| 431 | E | A | -3.2482 | |
| 432 | D | A | -3.2569 | |
| 433 | S | A | -2.5296 | |
| 434 | D | A | -2.7684 | |
| 435 | S | A | -2.1982 | |
| 436 | D | A | -2.7911 | |
| 437 | S | A | -2.4078 | |
| 438 | E | A | -3.5865 | |
| 439 | E | A | -4.1293 | |
| 440 | E | A | -4.5544 | |
| 441 | D | A | -4.4941 | |
| 442 | D | A | -4.3431 | |
| 443 | E | A | -4.3468 | |
| 444 | E | A | -4.4403 | |
| 445 | E | A | -4.4468 | |
| 446 | D | A | -4.4153 | |
| 447 | D | A | -4.4086 | |
| 448 | E | A | -4.5839 | |
| 449 | D | A | -4.5734 | |
| 450 | E | A | -4.6355 | |
| 451 | D | A | -4.8561 | |
| 452 | D | A | -4.8673 | |
| 453 | D | A | -5.0177 | |
| 454 | D | A | -4.9939 | |
| 455 | D | A | -5.1420 | |
| 456 | E | A | -4.9368 | |
| 457 | E | A | -4.7338 | |
| 458 | D | A | -4.5160 | |
| 459 | G | A | -3.3619 | |
| 460 | D | A | -3.1692 | |
| 461 | E | A | -2.0664 | |
| 462 | V | A | 0.6084 | |
| 463 | P | A | 0.5896 | |
| 464 | V | A | 1.6402 | |
| 465 | P | A | 0.6591 | |
| 466 | S | A | -0.0026 | |
| 467 | F | A | 0.6275 | |
| 468 | G | A | -0.4802 | |
| 469 | E | A | -0.6943 | |
| 470 | A | A | 0.3613 | |
| 471 | M | A | 0.5992 | |
| 472 | A | A | 0.6873 | |
| 473 | Y | A | 1.4730 | |
| 474 | F | A | 0.0000 | |
| 475 | A | A | 0.9015 | |
| 476 | M | A | 1.8861 | |
| 477 | V | A | 2.1223 | |
| 478 | K | A | 0.5847 | |
| 479 | R | A | -0.1234 | |
| 480 | Y | A | 1.6119 | |
| 481 | L | A | 1.5423 | |
| 482 | T | A | 0.7613 | |
| 483 | S | A | 0.9166 | |
| 484 | F | A | 1.9038 | |
| 485 | P | A | 0.7907 | |
| 486 | I | A | 0.3808 | |
| 487 | D | A | -1.0108 | |
| 488 | D | A | -1.4665 | |
| 489 | R | A | -2.1930 | |
| 490 | V | A | -0.9247 | |
| 491 | Q | A | 0.0000 | |
| 492 | S | A | -1.3228 | |
| 493 | H | A | -1.5163 | |
| 494 | I | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | H | A | -1.4333 | |
| 497 | L | A | -0.7672 | |
| 498 | E | A | -0.9077 | |
| 499 | H | A | -1.2126 | |
| 500 | D | A | -1.8562 | |
| 501 | L | A | -0.4274 | |
| 502 | V | A | -0.7335 | |
| 503 | H | A | -1.9029 | |
| 504 | V | A | -0.9445 | |
| 505 | T | A | -1.6822 | |
| 506 | R | A | -3.5487 | |
| 507 | K | A | -3.5734 | |
| 508 | N | A | -3.2898 | |
| 509 | H | A | -3.3002 | |
| 510 | A | A | -2.6809 | |
| 511 | R | A | -3.5489 | |
| 512 | Q | A | -2.9924 | |
| 513 | A | A | -1.7908 | |
| 514 | G | A | -1.1452 | |
| 515 | V | A | 0.0629 | |
| 516 | R | A | -1.6433 | |
| 517 | G | A | -0.5984 | |
| 518 | L | A | 0.5361 | |
| 519 | G | A | -0.8006 | |
| 520 | H | A | -1.8458 | |
| 521 | Q | A | -1.7978 | |
| 522 | S | A | -1.4481 | |
| 523 | G | A | -1.2684 | |
| 524 | G | A | -1.2395 | |
| 525 | S | A | -1.2649 | |
| 526 | H | A | -1.8890 | |
| 527 | H | A | -2.2742 | |
| 528 | H | A | -2.4192 | |
| 529 | H | A | -2.3937 | |
| 530 | H | A | -2.2383 | |
| 531 | H | A | -1.7884 |
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 | -0.8952 | 4.663 | View | CSV | PDB |
| 4.5 | -1.0084 | 4.643 | View | CSV | PDB |
| 5.0 | -1.1551 | 4.6225 | View | CSV | PDB |
| 5.5 | -1.3089 | 4.6018 | View | CSV | PDB |
| 6.0 | -1.4431 | 4.5812 | View | CSV | PDB |
| 6.5 | -1.5399 | 4.5607 | View | CSV | PDB |
| 7.0 | -1.5976 | 4.5406 | View | CSV | PDB |
| 7.5 | -1.6286 | 4.5221 | View | CSV | PDB |
| 8.0 | -1.6452 | 4.5069 | View | CSV | PDB |
| 8.5 | -1.6509 | 4.4969 | View | CSV | PDB |
| 9.0 | -1.6423 | 4.4916 | 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