| Chain sequence(s) |
A: MKREYQEAGGSSGGGSSADMGSCKDKVMAGAAGEEEDVDELLAALGYKVRSSDMADVAQKLEQLEMAMGMGGVSAPGAADDGFVSHLATDTVHYNPSDLSSWVESMLSELNAPLPPIPPAPPAARHASTSSTVTGGGGSGFFELPAAADSSSSTYALRPISLPVVATADPSAADSARDTKRMRTGGGSTSSSSSSSSSLGGGASRGSVVEAAPPATQGAAAANAPAVPVVVVDTQEAGIRLVHALLACAEAVQQENFAAAEALVKQIPTLAASQGGAMRKVAAYFGEALARRVYRFRPADSTLLDAAFADLLHAHFYESCPYLKFAHFTANQAILEAFAGCHRVHVVDFGIKQGMQWPALLQALALRPGGPPSFRLTGVGPPQPDETDALQQVGWKLAQFAHTIRVDFQYRGLVAATLADLEPFMLQPEGEADANEEPEVIAVNSVFELHRLLAQPGALEKVLGTVHAVRPRIVTVVEQEANHNSGSFLDRFTESLHYYSTMFDSLEGGSSGQAELSPPAAGGGGGTDQVMSEVYLGRQICNVVACEGAERTERHETLGQWRNRLGRAGFEPVHLGSNAYKQASTLLALFAGGDGYRVEEKEGCLTLGWHTRPLIATSAWRVAAA
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 (00:06:02)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fe1a27f22c1aca8/tmp/folded.pdb (00:06:02)
[INFO] Main: Simulation completed successfully. (00:08:28)
|
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 | -0.1336 | |
| 2 | K | A | -2.4790 | |
| 3 | R | A | -3.1884 | |
| 4 | E | A | -2.8752 | |
| 5 | Y | A | -0.9455 | |
| 6 | Q | A | -1.8168 | |
| 7 | E | A | -2.1926 | |
| 8 | A | A | -1.4248 | |
| 9 | G | A | -1.1293 | |
| 10 | G | A | -0.8340 | |
| 11 | S | A | -0.7663 | |
| 12 | S | A | -0.7560 | |
| 13 | G | A | -0.9755 | |
| 14 | G | A | -1.0419 | |
| 15 | G | A | -0.9500 | |
| 16 | S | A | -0.6647 | |
| 17 | S | A | -0.8056 | |
| 18 | A | A | -0.8473 | |
| 19 | D | A | -1.4217 | |
| 20 | M | A | -0.0951 | |
| 21 | G | A | -0.2159 | |
| 22 | S | A | -0.4007 | |
| 23 | C | A | -0.6714 | |
| 24 | K | A | -2.7425 | |
| 25 | D | A | -3.0569 | |
| 26 | K | A | -1.7856 | |
| 27 | V | A | 1.1382 | |
| 28 | M | A | 1.5728 | |
| 29 | A | A | 0.7037 | |
| 30 | G | A | -0.1872 | |
| 31 | A | A | -0.5364 | |
| 32 | A | A | -0.8600 | |
| 33 | G | A | -2.1538 | |
| 34 | E | A | -3.5483 | |
| 35 | E | A | -3.7244 | |
| 36 | E | A | -3.8290 | |
| 37 | D | A | -2.9971 | |
| 38 | V | A | -2.1762 | |
| 39 | D | A | -1.7366 | |
| 40 | E | A | -1.5239 | |
| 41 | L | A | 0.6355 | |
| 42 | L | A | -0.0905 | |
| 43 | A | A | -0.6655 | |
| 44 | A | A | -0.1474 | |
| 45 | L | A | -0.1538 | |
| 46 | G | A | -0.7105 | |
| 47 | Y | A | -1.0126 | |
| 48 | K | A | -2.1843 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -3.0958 | |
| 51 | S | A | -1.8962 | |
| 52 | S | A | -1.5562 | |
| 53 | D | A | -2.0372 | |
| 54 | M | A | -1.2294 | |
| 55 | A | A | -1.3677 | |
| 56 | D | A | -2.4967 | |
| 57 | V | A | 0.0000 | |
| 58 | A | A | -1.1543 | |
| 59 | Q | A | -2.1453 | |
| 60 | K | A | -1.8360 | |
| 61 | L | A | -1.2686 | |
| 62 | E | A | -1.8872 | |
| 63 | Q | A | -1.1680 | |
| 64 | L | A | -0.8097 | |
| 65 | E | A | -0.9840 | |
| 66 | M | A | 0.0519 | |
| 67 | A | A | -0.0444 | |
| 68 | M | A | 0.1580 | |
| 69 | G | A | 0.0299 | |
| 70 | M | A | 0.7091 | |
| 71 | G | A | -0.0568 | |
| 72 | G | A | 0.3512 | |
| 73 | V | A | 1.3187 | |
| 74 | S | A | 0.2112 | |
| 75 | A | A | 0.1249 | |
| 76 | P | A | -0.2568 | |
| 77 | G | A | -0.7930 | |
| 78 | A | A | -0.9043 | |
| 79 | A | A | -1.4881 | |
| 80 | D | A | -2.5484 | |
| 81 | D | A | -2.4687 | |
| 82 | G | A | -1.0811 | |
| 83 | F | A | -0.3119 | |
| 84 | V | A | 0.0234 | |
| 85 | S | A | -0.1107 | |
| 86 | H | A | 0.2480 | |
| 87 | L | A | 0.5096 | |
| 88 | A | A | -0.2050 | |
| 89 | T | A | -0.6013 | |
| 90 | D | A | -1.4108 | |
| 91 | T | A | 0.0014 | |
| 92 | V | A | 1.2313 | |
| 93 | H | A | 0.2141 | |
| 94 | Y | A | 0.5653 | |
| 95 | N | A | -0.7916 | |
| 96 | P | A | -0.9487 | |
| 97 | S | A | -1.0350 | |
| 98 | D | A | -1.4730 | |
| 99 | L | A | -0.9162 | |
| 100 | S | A | -1.3372 | |
| 101 | S | A | -0.6120 | |
| 102 | W | A | -0.2591 | |
| 103 | V | A | 0.0000 | |
| 104 | E | A | -1.4436 | |
| 105 | S | A | 0.0000 | |
| 106 | M | A | -0.3382 | |
| 107 | L | A | 0.0000 | |
| 108 | S | A | -0.9001 | |
| 109 | E | A | 0.0000 | |
| 110 | L | A | -0.2680 | |
| 111 | N | A | -1.0850 | |
| 112 | A | A | -0.3698 | |
| 113 | P | A | 0.1166 | |
| 114 | L | A | 1.3080 | |
| 115 | P | A | 0.7641 | |
| 116 | P | A | 0.8550 | |
| 117 | I | A | 1.8725 | |
| 118 | P | A | 0.4791 | |
| 119 | P | A | 0.0174 | |
| 120 | A | A | -0.0418 | |
| 121 | P | A | -0.4158 | |
| 122 | P | A | -0.3483 | |
| 123 | A | A | -0.6027 | |
| 124 | A | A | -1.1087 | |
| 125 | R | A | -2.2927 | |
| 126 | H | A | -1.9039 | |
| 127 | A | A | -0.9834 | |
| 128 | S | A | -0.7289 | |
| 129 | T | A | -0.4089 | |
| 130 | S | A | -0.4124 | |
| 131 | S | A | 0.0498 | |
| 132 | T | A | 0.5906 | |
| 133 | V | A | 1.5570 | |
| 134 | T | A | 0.5144 | |
| 135 | G | A | -0.5267 | |
| 136 | G | A | -1.0969 | |
| 137 | G | A | -1.1082 | |
| 138 | G | A | -0.8045 | |
| 139 | S | A | -0.3742 | |
| 140 | G | A | 0.6389 | |
| 141 | F | A | 2.2234 | |
| 142 | F | A | 2.2528 | |
| 143 | E | A | 0.2599 | |
| 144 | L | A | 1.2212 | |
| 145 | P | A | 0.1321 | |
| 146 | A | A | 0.1923 | |
| 147 | A | A | -0.2005 | |
| 148 | A | A | -0.8050 | |
| 149 | D | A | -1.9027 | |
| 150 | S | A | -1.2301 | |
| 151 | S | A | -0.9080 | |
| 152 | S | A | -0.3569 | |
| 153 | S | A | -0.0883 | |
| 154 | T | A | 0.5002 | |
| 155 | Y | A | 1.2204 | |
| 156 | A | A | 0.4497 | |
| 157 | L | A | 0.4869 | |
| 158 | R | A | -0.9237 | |
| 159 | P | A | 0.2131 | |
| 160 | I | A | 1.7967 | |
| 161 | S | A | 1.3220 | |
| 162 | L | A | 2.5673 | |
| 163 | P | A | 2.0235 | |
| 164 | V | A | 2.8917 | |
| 165 | V | A | 2.7636 | |
| 166 | A | A | 1.1906 | |
| 167 | T | A | 0.2109 | |
| 168 | A | A | -0.6781 | |
| 169 | D | A | -1.9418 | |
| 170 | P | A | -1.1810 | |
| 171 | S | A | -0.7002 | |
| 172 | A | A | -0.4647 | |
| 173 | A | A | -0.9172 | |
| 174 | D | A | -1.8421 | |
| 175 | S | A | -1.4214 | |
| 176 | A | A | -1.6538 | |
| 177 | R | A | -2.7625 | |
| 178 | D | A | -3.1222 | |
| 179 | T | A | -2.5759 | |
| 180 | K | A | -2.8399 | |
| 181 | R | A | -2.5635 | |
| 182 | M | A | -1.2674 | |
| 183 | R | A | -1.8188 | |
| 184 | T | A | -0.9918 | |
| 185 | G | A | -1.1503 | |
| 186 | G | A | -0.9411 | |
| 187 | G | A | -0.8871 | |
| 188 | S | A | -0.6063 | |
| 189 | T | A | -0.4245 | |
| 190 | S | A | -0.4566 | |
| 191 | S | A | -0.4939 | |
| 192 | S | A | -0.5237 | |
| 193 | S | A | -0.5375 | |
| 194 | S | A | -0.5321 | |
| 195 | S | A | -0.5251 | |
| 196 | S | A | -0.5234 | |
| 197 | S | A | -0.1524 | |
| 198 | S | A | 0.2618 | |
| 199 | L | A | 1.0385 | |
| 200 | G | A | 0.0418 | |
| 201 | G | A | -0.6195 | |
| 202 | G | A | -0.8567 | |
| 203 | A | A | -0.8013 | |
| 204 | S | A | -1.2571 | |
| 205 | R | A | -2.2430 | |
| 206 | G | A | -1.2992 | |
| 207 | S | A | 0.3619 | |
| 208 | V | A | 2.0165 | |
| 209 | V | A | 1.5781 | |
| 210 | E | A | -0.4732 | |
| 211 | A | A | -0.4709 | |
| 212 | A | A | -0.4831 | |
| 213 | P | A | -0.3241 | |
| 214 | P | A | -0.3553 | |
| 215 | A | A | -0.3875 | |
| 216 | T | A | -0.7934 | |
| 217 | Q | A | -1.4341 | |
| 218 | G | A | -1.2089 | |
| 219 | A | A | -0.7917 | |
| 220 | A | A | -0.7161 | |
| 221 | A | A | -0.8625 | |
| 222 | A | A | -1.0227 | |
| 223 | N | A | -1.2673 | |
| 224 | A | A | -0.4085 | |
| 225 | P | A | -0.0926 | |
| 226 | A | A | 0.8276 | |
| 227 | V | A | 2.3207 | |
| 228 | P | A | 2.1904 | |
| 229 | V | A | 3.6991 | |
| 230 | V | A | 3.8764 | |
| 231 | V | A | 3.3585 | |
| 232 | V | A | 1.8296 | |
| 233 | D | A | -1.2245 | |
| 234 | T | A | -1.3053 | |
| 235 | Q | A | -2.1740 | |
| 236 | E | A | -2.2943 | |
| 237 | A | A | 0.0000 | |
| 238 | G | A | 0.0000 | |
| 239 | I | A | -0.2888 | |
| 240 | R | A | -1.8275 | |
| 241 | L | A | 0.0000 | |
| 242 | V | A | 0.3899 | |
| 243 | H | A | -0.7455 | |
| 244 | A | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | L | A | -0.2563 | |
| 247 | A | A | -0.4889 | |
| 248 | C | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | E | A | -2.4133 | |
| 251 | A | A | 0.0000 | |
| 252 | V | A | 0.0000 | |
| 253 | Q | A | -2.5135 | |
| 254 | Q | A | -3.0772 | |
| 255 | E | A | -3.2318 | |
| 256 | N | A | -2.6582 | |
| 257 | F | A | -1.1545 | |
| 258 | A | A | -0.6512 | |
| 259 | A | A | -0.9276 | |
| 260 | A | A | 0.0000 | |
| 261 | E | A | -1.4356 | |
| 262 | A | A | -0.9842 | |
| 263 | L | A | -0.9073 | |
| 264 | V | A | 0.0000 | |
| 265 | K | A | -2.3111 | |
| 266 | Q | A | -1.8954 | |
| 267 | I | A | 0.0000 | |
| 268 | P | A | -1.1088 | |
| 269 | T | A | -0.6227 | |
| 270 | L | A | -0.5837 | |
| 271 | A | A | 0.0000 | |
| 272 | A | A | -0.4211 | |
| 273 | S | A | -0.2747 | |
| 274 | Q | A | -0.9953 | |
| 275 | G | A | -1.0501 | |
| 276 | G | A | -1.1592 | |
| 277 | A | A | -1.1342 | |
| 278 | M | A | -0.7515 | |
| 279 | R | A | -1.5157 | |
| 280 | K | A | -1.0443 | |
| 281 | V | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | A | A | -0.6163 | |
| 284 | Y | A | -0.4215 | |
| 285 | F | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | E | A | -1.2564 | |
| 288 | A | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | R | A | -1.1714 | |
| 292 | R | A | -1.1843 | |
| 293 | V | A | 0.0000 | |
| 294 | Y | A | -0.4243 | |
| 295 | R | A | -1.5517 | |
| 296 | F | A | -0.1796 | |
| 297 | R | A | -2.2720 | |
| 298 | P | A | -1.6346 | |
| 299 | A | A | -1.2009 | |
| 300 | D | A | -2.3502 | |
| 301 | S | A | -0.9795 | |
| 302 | T | A | 0.0380 | |
| 303 | L | A | 0.7276 | |
| 304 | L | A | 1.5710 | |
| 305 | D | A | 0.6183 | |
| 306 | A | A | 0.6464 | |
| 307 | A | A | 0.8952 | |
| 308 | F | A | 1.3654 | |
| 309 | A | A | 0.5751 | |
| 310 | D | A | 0.0010 | |
| 311 | L | A | 0.9080 | |
| 312 | L | A | 0.0000 | |
| 313 | H | A | 0.0000 | |
| 314 | A | A | -0.3511 | |
| 315 | H | A | -0.6342 | |
| 316 | F | A | 0.0000 | |
| 317 | Y | A | -0.7062 | |
| 318 | E | A | -2.0225 | |
| 319 | S | A | -1.1173 | |
| 320 | C | A | 0.0000 | |
| 321 | P | A | 0.0000 | |
| 322 | Y | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | K | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | A | A | 0.0000 | |
| 327 | H | A | 0.0000 | |
| 328 | F | A | 0.3435 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | N | A | 0.0000 | |
| 332 | Q | A | -0.5660 | |
| 333 | A | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | L | A | -0.3680 | |
| 336 | E | A | -1.1419 | |
| 337 | A | A | -0.8206 | |
| 338 | F | A | 0.0000 | |
| 339 | A | A | -0.6945 | |
| 340 | G | A | -0.9821 | |
| 341 | C | A | 0.0000 | |
| 342 | H | A | -1.7736 | |
| 343 | R | A | -1.6876 | |
| 344 | V | A | 0.0000 | |
| 345 | H | A | 0.0000 | |
| 346 | V | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | D | A | 0.0000 | |
| 349 | F | A | 0.0000 | |
| 350 | G | A | -0.2915 | |
| 351 | I | A | 0.0000 | |
| 352 | K | A | -0.4838 | |
| 353 | Q | A | -0.5926 | |
| 354 | G | A | 0.0000 | |
| 355 | M | A | 0.1256 | |
| 356 | Q | A | 0.0000 | |
| 357 | W | A | 0.0000 | |
| 358 | P | A | -0.1995 | |
| 359 | A | A | -0.0961 | |
| 360 | L | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | Q | A | -0.2872 | |
| 363 | A | A | 0.2137 | |
| 364 | L | A | 0.0000 | |
| 365 | A | A | -0.1928 | |
| 366 | L | A | 1.1501 | |
| 367 | R | A | 0.0750 | |
| 368 | P | A | -0.3731 | |
| 369 | G | A | -0.7399 | |
| 370 | G | A | -0.5843 | |
| 371 | P | A | -0.9402 | |
| 372 | P | A | 0.0000 | |
| 373 | S | A | -1.3096 | |
| 374 | F | A | 0.0000 | |
| 375 | R | A | -0.8207 | |
| 376 | L | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | G | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | G | A | 0.0000 | |
| 381 | P | A | 0.3293 | |
| 382 | P | A | -0.4406 | |
| 383 | Q | A | -1.1549 | |
| 384 | P | A | -0.9826 | |
| 385 | D | A | -2.7124 | |
| 386 | E | A | -3.2047 | |
| 387 | T | A | -2.6526 | |
| 388 | D | A | -2.7177 | |
| 389 | A | A | -1.7721 | |
| 390 | L | A | 0.0000 | |
| 391 | Q | A | -1.8478 | |
| 392 | Q | A | -1.9683 | |
| 393 | V | A | 0.0000 | |
| 394 | G | A | 0.0000 | |
| 395 | W | A | -0.3865 | |
| 396 | K | A | -1.5159 | |
| 397 | L | A | 0.0000 | |
| 398 | A | A | -1.0868 | |
| 399 | Q | A | -1.4668 | |
| 400 | F | A | -0.7145 | |
| 401 | A | A | 0.0000 | |
| 402 | H | A | -2.1579 | |
| 403 | T | A | -0.8810 | |
| 404 | I | A | -1.0754 | |
| 405 | R | A | -2.6464 | |
| 406 | V | A | 0.0000 | |
| 407 | D | A | -2.5760 | |
| 408 | F | A | -1.5806 | |
| 409 | Q | A | -0.9550 | |
| 410 | Y | A | -0.2590 | |
| 411 | R | A | -0.6054 | |
| 412 | G | A | -0.3801 | |
| 413 | L | A | 0.7788 | |
| 414 | V | A | 1.2954 | |
| 415 | A | A | 0.0000 | |
| 416 | A | A | 0.0313 | |
| 417 | T | A | -0.3882 | |
| 418 | L | A | 0.0000 | |
| 419 | A | A | -1.5835 | |
| 420 | D | A | -1.6928 | |
| 421 | L | A | 0.0000 | |
| 422 | E | A | -1.2134 | |
| 423 | P | A | -0.0794 | |
| 424 | F | A | 1.1413 | |
| 425 | M | A | 0.1059 | |
| 426 | L | A | 0.0000 | |
| 427 | Q | A | -0.8286 | |
| 428 | P | A | -1.4033 | |
| 429 | E | A | -2.3212 | |
| 430 | G | A | -2.5745 | |
| 431 | E | A | -2.8901 | |
| 432 | A | A | -2.8019 | |
| 433 | D | A | -3.4303 | |
| 434 | A | A | -2.3348 | |
| 435 | N | A | -2.8681 | |
| 436 | E | A | -3.5437 | |
| 437 | E | A | -2.6173 | |
| 438 | P | A | -1.7905 | |
| 439 | E | A | -1.2193 | |
| 440 | V | A | -0.9222 | |
| 441 | I | A | 0.0000 | |
| 442 | A | A | 0.0000 | |
| 443 | V | A | 0.0000 | |
| 444 | N | A | 0.0000 | |
| 445 | S | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | E | A | -0.4063 | |
| 449 | L | A | 0.0000 | |
| 450 | H | A | 0.0000 | |
| 451 | R | A | -1.0294 | |
| 452 | L | A | 0.0000 | |
| 453 | L | A | -0.8486 | |
| 454 | A | A | -1.3546 | |
| 455 | Q | A | -1.6005 | |
| 456 | P | A | -1.3408 | |
| 457 | G | A | -1.6641 | |
| 458 | A | A | -1.7655 | |
| 459 | L | A | 0.0000 | |
| 460 | E | A | -2.7745 | |
| 461 | K | A | -2.3943 | |
| 462 | V | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | G | A | -1.3929 | |
| 465 | T | A | 0.0000 | |
| 466 | V | A | 0.0000 | |
| 467 | H | A | -1.1662 | |
| 468 | A | A | -0.6779 | |
| 469 | V | A | 0.0000 | |
| 470 | R | A | -2.3776 | |
| 471 | P | A | 0.0000 | |
| 472 | R | A | -1.8964 | |
| 473 | I | A | 0.0000 | |
| 474 | V | A | 0.0000 | |
| 475 | T | A | 0.0000 | |
| 476 | V | A | 0.0000 | |
| 477 | V | A | 0.0000 | |
| 478 | E | A | 0.0000 | |
| 479 | Q | A | 0.0000 | |
| 480 | E | A | 0.0000 | |
| 481 | A | A | 0.0000 | |
| 482 | N | A | -0.8312 | |
| 483 | H | A | 0.0000 | |
| 484 | N | A | -0.7830 | |
| 485 | S | A | -0.8723 | |
| 486 | G | A | -0.7826 | |
| 487 | S | A | -0.8491 | |
| 488 | F | A | 0.0000 | |
| 489 | L | A | -1.1009 | |
| 490 | D | A | -1.6349 | |
| 491 | R | A | 0.0000 | |
| 492 | F | A | 0.0000 | |
| 493 | T | A | -0.7494 | |
| 494 | E | A | -1.0941 | |
| 495 | S | A | 0.0000 | |
| 496 | L | A | 0.0000 | |
| 497 | H | A | -1.1666 | |
| 498 | Y | A | 0.0000 | |
| 499 | Y | A | 0.0000 | |
| 500 | S | A | -0.7688 | |
| 501 | T | A | -0.9400 | |
| 502 | M | A | 0.0000 | |
| 503 | F | A | 0.0000 | |
| 504 | D | A | -1.4566 | |
| 505 | S | A | 0.0000 | |
| 506 | L | A | 0.0000 | |
| 507 | E | A | -1.2119 | |
| 508 | G | A | -1.3293 | |
| 509 | G | A | -1.2692 | |
| 510 | S | A | -1.3315 | |
| 511 | S | A | -1.1878 | |
| 512 | G | A | -1.5854 | |
| 513 | Q | A | -1.6662 | |
| 514 | A | A | -1.3748 | |
| 515 | E | A | -1.6955 | |
| 516 | L | A | 0.0438 | |
| 517 | S | A | -0.6316 | |
| 518 | P | A | -0.5649 | |
| 519 | P | A | -0.6932 | |
| 520 | A | A | -0.6021 | |
| 521 | A | A | -0.5105 | |
| 522 | G | A | -0.7619 | |
| 523 | G | A | -1.1090 | |
| 524 | G | A | -1.2313 | |
| 525 | G | A | -1.4770 | |
| 526 | G | A | -0.8802 | |
| 527 | T | A | -0.5847 | |
| 528 | D | A | -0.9658 | |
| 529 | Q | A | -0.5727 | |
| 530 | V | A | 0.7711 | |
| 531 | M | A | 0.4970 | |
| 532 | S | A | 0.0000 | |
| 533 | E | A | 0.0000 | |
| 534 | V | A | 0.3864 | |
| 535 | Y | A | 0.2961 | |
| 536 | L | A | 0.0000 | |
| 537 | G | A | 0.0000 | |
| 538 | R | A | -0.5852 | |
| 539 | Q | A | 0.0000 | |
| 540 | I | A | 0.0000 | |
| 541 | C | A | -0.4724 | |
| 542 | N | A | -0.9608 | |
| 543 | V | A | 0.0000 | |
| 544 | V | A | 0.0000 | |
| 545 | A | A | -1.1927 | |
| 546 | C | A | 0.0000 | |
| 547 | E | A | -1.9958 | |
| 548 | G | A | -1.6166 | |
| 549 | A | A | -1.5543 | |
| 550 | E | A | -2.6754 | |
| 551 | R | A | 0.0000 | |
| 552 | T | A | -1.1612 | |
| 553 | E | A | 0.0000 | |
| 554 | R | A | -0.5453 | |
| 555 | H | A | 0.0000 | |
| 556 | E | A | 0.0000 | |
| 557 | T | A | -0.5542 | |
| 558 | L | A | 0.0000 | |
| 559 | G | A | -1.1002 | |
| 560 | Q | A | -1.2324 | |
| 561 | W | A | 0.0000 | |
| 562 | R | A | -2.0827 | |
| 563 | N | A | -2.1830 | |
| 564 | R | A | -2.2894 | |
| 565 | L | A | 0.0000 | |
| 566 | G | A | -2.1850 | |
| 567 | R | A | -2.8341 | |
| 568 | A | A | -1.9784 | |
| 569 | G | A | -1.2179 | |
| 570 | F | A | 0.0000 | |
| 571 | E | A | -1.3600 | |
| 572 | P | A | -1.2890 | |
| 573 | V | A | -0.8750 | |
| 574 | H | A | -1.6512 | |
| 575 | L | A | 0.0000 | |
| 576 | G | A | -1.4328 | |
| 577 | S | A | -1.4789 | |
| 578 | N | A | -1.9678 | |
| 579 | A | A | 0.0000 | |
| 580 | Y | A | -1.2939 | |
| 581 | K | A | -1.6030 | |
| 582 | Q | A | -1.1550 | |
| 583 | A | A | 0.0000 | |
| 584 | S | A | -0.7663 | |
| 585 | T | A | 0.0851 | |
| 586 | L | A | 0.0000 | |
| 587 | L | A | 0.0000 | |
| 588 | A | A | 0.5555 | |
| 589 | L | A | 1.7789 | |
| 590 | F | A | 0.9297 | |
| 591 | A | A | -0.3858 | |
| 592 | G | A | -0.7153 | |
| 593 | G | A | -1.1078 | |
| 594 | D | A | -2.3777 | |
| 595 | G | A | 0.0000 | |
| 596 | Y | A | 0.0000 | |
| 597 | R | A | -2.2909 | |
| 598 | V | A | -2.0034 | |
| 599 | E | A | -3.1493 | |
| 600 | E | A | -3.6846 | |
| 601 | K | A | -3.4029 | |
| 602 | E | A | -2.9809 | |
| 603 | G | A | -2.2553 | |
| 604 | C | A | 0.0000 | |
| 605 | L | A | 0.0000 | |
| 606 | T | A | 0.0000 | |
| 607 | L | A | 0.0000 | |
| 608 | G | A | 0.0000 | |
| 609 | W | A | 0.0000 | |
| 610 | H | A | -1.7121 | |
| 611 | T | A | -1.1602 | |
| 612 | R | A | -1.0352 | |
| 613 | P | A | -0.9265 | |
| 614 | L | A | 0.0000 | |
| 615 | I | A | 0.0000 | |
| 616 | A | A | 0.0000 | |
| 617 | T | A | 0.0000 | |
| 618 | S | A | 0.0000 | |
| 619 | A | A | 0.0000 | |
| 620 | W | A | 0.0000 | |
| 621 | R | A | -2.0531 | |
| 622 | V | A | -1.3816 | |
| 623 | A | A | -0.7135 | |
| 624 | A | A | -0.1190 | |
| 625 | A | A | 0.1065 |
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 | -0.1276 | 6.2976 | View | CSV | PDB |
| 4.5 | -0.1963 | 6.182 | View | CSV | PDB |
| 5.0 | -0.2812 | 6.004 | View | CSV | PDB |
| 5.5 | -0.3695 | 5.7998 | View | CSV | PDB |
| 6.0 | -0.4499 | 5.7998 | View | CSV | PDB |
| 6.5 | -0.5147 | 5.7998 | View | CSV | PDB |
| 7.0 | -0.561 | 5.7998 | View | CSV | PDB |
| 7.5 | -0.5923 | 5.7998 | View | CSV | PDB |
| 8.0 | -0.6134 | 5.7998 | View | CSV | PDB |
| 8.5 | -0.6254 | 5.7998 | View | CSV | PDB |
| 9.0 | -0.6273 | 5.7998 | 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