| Chain sequence(s) |
A: MLSHMVLTRQDIGRAASYYEDGADEYYAKDGKASEWQGKGAEELGLSGAVDSKRFRELLAGNIGNGHRIMRSATRQDSKERIGLDLTFSAPKSVSLQALVAGNAEIIKAHDRAVARTLEQAEARAQARQKIQGKTRIETTKNLVIGKFRHEWDVFKEPQLHTHAVILNMTKRSDGQWRALKNDEIVKATRYLGAVYNAELAHELQKLGYELRYGKDGNFDLAYISRQQIEGFDKRTEQIAEWYAARGLDPNSVSLEQKQAAKVLSRPEPEPFDREALRAEWQATAKELGIDFSRKEYWGRPPGEPPAAPKAAVPSDEAAKRAVRYAINHLTERQQVVDERELVDTAMKHAVGEASLEDIQKELLRQTETGELIREAPRYRPGGQTGPTDEPGKTRAEWVAELAAKGMKQGAARERVDNAIKTGGLVPIEARYTTQTALEREKRILQIERDGRGSVAPIIPAEAARERLASTDLNQGQREAAELIVSSDDRVVGVQGVEGTGKSHMLDTAKQMIEGEGYHVRALAPYGSQVKALRELGIEANTLASFLRAEEKNIDERTVLVIDEAGVVPTRLMEQTLKLAEKAGARVVLMGNSAQTKAIEAGSPFDQLQAAGLRTAHMTEVQRQKNPELKIAVELAAAGEASSSLERIKDVTEIPDHHERRAAVAEAYIALSPDERDRTLIVSGTNEARREINQIVREGLGLAGKGIEFDTLVRVDTTQAERRFSKNFQVGHVIQPLKDYPEYGLKKGRLYRVVETGPGNRLTVIGLEDGQRIQFNPMTLPDISVYQPERAELAVGDTIRITRNNEELDLANGDRMKVVAVEPDKVTVTDGKRNVELPTDRPLFVDHAYATTVHSSQGLRADRVLIDAHAESRTTAKDVYYVAISRAEEEARVFTDNKEKLPAAIARENIKERAHDLVLDPDAASAAAERQREQQREAERNRQTQVPAHDRQKAAREAERGMEALR
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 globular. Max score is recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:44)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/12248a00bf4b8f1/tmp/folded.pdb (00:22:44)
[INFO] Main: Simulation completed successfully. (00:28:27)
|
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 | 0.1600 | |
| 2 | L | A | -0.1769 | |
| 3 | S | A | -0.4161 | |
| 4 | H | A | -0.1975 | |
| 5 | M | A | 0.7575 | |
| 6 | V | A | 1.2357 | |
| 7 | L | A | 0.0000 | |
| 8 | T | A | -1.5374 | |
| 9 | R | A | -2.8482 | |
| 10 | Q | A | -2.5742 | |
| 11 | D | A | -1.5870 | |
| 12 | I | A | -1.2859 | |
| 13 | G | A | -1.4818 | |
| 14 | R | A | -1.9686 | |
| 15 | A | A | 0.0000 | |
| 16 | A | A | -1.3379 | |
| 17 | S | A | -1.6369 | |
| 18 | Y | A | 0.0000 | |
| 19 | Y | A | -1.7361 | |
| 20 | E | A | -2.9735 | |
| 21 | D | A | -2.8610 | |
| 22 | G | A | 0.0000 | |
| 23 | A | A | -2.1291 | |
| 24 | D | A | -2.6785 | |
| 25 | E | A | 0.0000 | |
| 26 | Y | A | -0.1721 | |
| 27 | Y | A | -0.6233 | |
| 28 | A | A | -1.5455 | |
| 29 | K | A | -2.3075 | |
| 30 | D | A | -1.9147 | |
| 31 | G | A | -2.2115 | |
| 32 | K | A | -2.8589 | |
| 33 | A | A | 0.0000 | |
| 34 | S | A | -1.3548 | |
| 35 | E | A | -1.7231 | |
| 36 | W | A | 0.0000 | |
| 37 | Q | A | -1.3602 | |
| 38 | G | A | -2.0699 | |
| 39 | K | A | -3.2059 | |
| 40 | G | A | 0.0000 | |
| 41 | A | A | 0.0000 | |
| 42 | E | A | -3.4150 | |
| 43 | E | A | -3.2180 | |
| 44 | L | A | -1.8124 | |
| 45 | G | A | -1.7273 | |
| 46 | L | A | -1.6854 | |
| 47 | S | A | -1.4043 | |
| 48 | G | A | -1.3157 | |
| 49 | A | A | -1.4719 | |
| 50 | V | A | 0.0000 | |
| 51 | D | A | -2.6180 | |
| 52 | S | A | -2.3278 | |
| 53 | K | A | -2.8655 | |
| 54 | R | A | -2.3373 | |
| 55 | F | A | 0.0000 | |
| 56 | R | A | -1.9477 | |
| 57 | E | A | -2.0974 | |
| 58 | L | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | A | A | -1.0724 | |
| 61 | G | A | 0.0000 | |
| 62 | N | A | -1.8084 | |
| 63 | I | A | 0.0000 | |
| 64 | G | A | -1.8978 | |
| 65 | N | A | -2.1523 | |
| 66 | G | A | -2.0536 | |
| 67 | H | A | -2.5838 | |
| 68 | R | A | -2.7275 | |
| 69 | I | A | 0.0000 | |
| 70 | M | A | 0.1347 | |
| 71 | R | A | -0.4678 | |
| 72 | S | A | -0.4078 | |
| 73 | A | A | -0.4858 | |
| 74 | T | A | -1.8403 | |
| 75 | R | A | -3.4418 | |
| 76 | Q | A | -3.3503 | |
| 77 | D | A | -3.4172 | |
| 78 | S | A | -2.9318 | |
| 79 | K | A | -3.4287 | |
| 80 | E | A | -2.6928 | |
| 81 | R | A | -1.2875 | |
| 82 | I | A | 0.0000 | |
| 83 | G | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | D | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | T | A | -0.0864 | |
| 88 | F | A | 0.0000 | |
| 89 | S | A | 0.0612 | |
| 90 | A | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | K | A | -0.5271 | |
| 93 | S | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | S | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | Q | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | L | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | A | A | -0.4431 | |
| 102 | G | A | -0.5162 | |
| 103 | N | A | -1.0768 | |
| 104 | A | A | -1.4926 | |
| 105 | E | A | -2.5745 | |
| 106 | I | A | 0.0000 | |
| 107 | I | A | 0.0000 | |
| 108 | K | A | -3.2756 | |
| 109 | A | A | 0.0000 | |
| 110 | H | A | 0.0000 | |
| 111 | D | A | -2.5357 | |
| 112 | R | A | -3.1179 | |
| 113 | A | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | A | A | -2.1781 | |
| 116 | R | A | -3.1231 | |
| 117 | T | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.9410 | |
| 120 | Q | A | -1.7153 | |
| 121 | A | A | 0.0000 | |
| 122 | E | A | 0.0000 | |
| 123 | A | A | -1.1635 | |
| 124 | R | A | -1.3253 | |
| 125 | A | A | 0.0000 | |
| 126 | Q | A | -1.4504 | |
| 127 | A | A | 0.0000 | |
| 128 | R | A | -2.8131 | |
| 129 | Q | A | -2.6824 | |
| 130 | K | A | -3.0608 | |
| 131 | I | A | -1.7456 | |
| 132 | Q | A | -2.0104 | |
| 133 | G | A | -2.1315 | |
| 134 | K | A | -2.6956 | |
| 135 | T | A | -2.5444 | |
| 136 | R | A | -2.0399 | |
| 137 | I | A | 0.0000 | |
| 138 | E | A | -1.4426 | |
| 139 | T | A | -1.0004 | |
| 140 | T | A | -0.9766 | |
| 141 | K | A | -1.5147 | |
| 142 | N | A | -1.8977 | |
| 143 | L | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | K | A | 0.0000 | |
| 148 | F | A | 0.0000 | |
| 149 | R | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | E | A | 0.0000 | |
| 152 | W | A | 0.0317 | |
| 153 | D | A | -0.0182 | |
| 154 | V | A | -0.2949 | |
| 155 | F | A | 0.0000 | |
| 156 | K | A | -0.7024 | |
| 157 | E | A | 0.0000 | |
| 158 | P | A | 0.0000 | |
| 159 | Q | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | H | A | -0.1008 | |
| 162 | T | A | 0.0000 | |
| 163 | H | A | -0.1746 | |
| 164 | A | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | N | A | 0.0000 | |
| 169 | M | A | 0.0000 | |
| 170 | T | A | 0.0000 | |
| 171 | K | A | -1.7516 | |
| 172 | R | A | 0.0000 | |
| 173 | S | A | -1.4433 | |
| 174 | D | A | -2.2754 | |
| 175 | G | A | -1.6502 | |
| 176 | Q | A | -2.0266 | |
| 177 | W | A | 0.0000 | |
| 178 | R | A | -1.4871 | |
| 179 | A | A | -0.6137 | |
| 180 | L | A | 0.0000 | |
| 181 | K | A | -1.2341 | |
| 182 | N | A | -0.8959 | |
| 183 | D | A | -1.6966 | |
| 184 | E | A | -2.0468 | |
| 185 | I | A | 0.0000 | |
| 186 | V | A | -1.0969 | |
| 187 | K | A | -2.0030 | |
| 188 | A | A | 0.0000 | |
| 189 | T | A | 0.0000 | |
| 190 | R | A | -2.2354 | |
| 191 | Y | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | G | A | -0.6458 | |
| 194 | A | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | Y | A | 0.0000 | |
| 197 | N | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | E | A | -1.5043 | |
| 200 | L | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | H | A | -1.7777 | |
| 203 | E | A | -2.4125 | |
| 204 | L | A | 0.0000 | |
| 205 | Q | A | -2.2768 | |
| 206 | K | A | -2.3664 | |
| 207 | L | A | -1.5148 | |
| 208 | G | A | -1.7846 | |
| 209 | Y | A | 0.0000 | |
| 210 | E | A | -1.6877 | |
| 211 | L | A | 0.0000 | |
| 212 | R | A | -0.5238 | |
| 213 | Y | A | -0.9280 | |
| 214 | G | A | -1.6451 | |
| 215 | K | A | -2.4227 | |
| 216 | D | A | -2.6707 | |
| 217 | G | A | 0.0000 | |
| 218 | N | A | -1.5754 | |
| 219 | F | A | 0.0000 | |
| 220 | D | A | -0.8037 | |
| 221 | L | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | Y | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | R | A | -2.8184 | |
| 227 | Q | A | -2.8479 | |
| 228 | Q | A | -2.1957 | |
| 229 | I | A | 0.0000 | |
| 230 | E | A | -3.6383 | |
| 231 | G | A | -2.5659 | |
| 232 | F | A | 0.0000 | |
| 233 | D | A | -2.8731 | |
| 234 | K | A | -3.4093 | |
| 235 | R | A | -3.1318 | |
| 236 | T | A | -2.6640 | |
| 237 | E | A | -3.6315 | |
| 238 | Q | A | -2.8694 | |
| 239 | I | A | -1.7414 | |
| 240 | A | A | -2.0875 | |
| 241 | E | A | -2.6422 | |
| 242 | W | A | -1.3977 | |
| 243 | Y | A | 0.0000 | |
| 244 | A | A | -1.4681 | |
| 245 | A | A | -1.3090 | |
| 246 | R | A | -2.2491 | |
| 247 | G | A | -1.5993 | |
| 248 | L | A | -1.4437 | |
| 249 | D | A | -1.7776 | |
| 250 | P | A | -1.5472 | |
| 251 | N | A | -1.9337 | |
| 252 | S | A | -1.5870 | |
| 253 | V | A | 0.0000 | |
| 254 | S | A | -0.6532 | |
| 255 | L | A | 0.1481 | |
| 256 | E | A | -1.7862 | |
| 257 | Q | A | -1.1307 | |
| 258 | K | A | -1.2438 | |
| 259 | Q | A | -1.2447 | |
| 260 | A | A | -0.3253 | |
| 261 | A | A | 0.0000 | |
| 262 | K | A | -1.2458 | |
| 263 | V | A | 0.7221 | |
| 264 | L | A | 1.2146 | |
| 265 | S | A | -0.5263 | |
| 266 | R | A | -1.6358 | |
| 267 | P | A | -1.7378 | |
| 268 | E | A | -2.8502 | |
| 269 | P | A | -2.1838 | |
| 270 | E | A | -2.3828 | |
| 271 | P | A | -1.5016 | |
| 272 | F | A | -1.2861 | |
| 273 | D | A | -2.4821 | |
| 274 | R | A | -2.8229 | |
| 275 | E | A | -2.8569 | |
| 276 | A | A | -2.2002 | |
| 277 | L | A | -2.0733 | |
| 278 | R | A | -2.0552 | |
| 279 | A | A | -1.8228 | |
| 280 | E | A | -2.6350 | |
| 281 | W | A | 0.0000 | |
| 282 | Q | A | -2.1815 | |
| 283 | A | A | -2.1300 | |
| 284 | T | A | -2.0149 | |
| 285 | A | A | 0.0000 | |
| 286 | K | A | -3.2339 | |
| 287 | E | A | -2.7619 | |
| 288 | L | A | -1.9514 | |
| 289 | G | A | -1.8161 | |
| 290 | I | A | 0.0000 | |
| 291 | D | A | -1.9831 | |
| 292 | F | A | -1.2796 | |
| 293 | S | A | -1.4097 | |
| 294 | R | A | -2.3003 | |
| 295 | K | A | -2.0695 | |
| 296 | E | A | -1.6416 | |
| 297 | Y | A | -0.5565 | |
| 298 | W | A | 0.1608 | |
| 299 | G | A | -0.0826 | |
| 300 | R | A | -1.0531 | |
| 301 | P | A | -1.1061 | |
| 302 | P | A | -1.1008 | |
| 303 | G | A | -1.5178 | |
| 304 | E | A | -2.0756 | |
| 305 | P | A | -1.2981 | |
| 306 | P | A | -0.9871 | |
| 307 | A | A | -0.9563 | |
| 308 | A | A | -0.6478 | |
| 309 | P | A | -1.0552 | |
| 310 | K | A | -1.7320 | |
| 311 | A | A | -0.7469 | |
| 312 | A | A | -0.5611 | |
| 313 | V | A | -0.6990 | |
| 314 | P | A | -1.0716 | |
| 315 | S | A | -1.7874 | |
| 316 | D | A | -2.9122 | |
| 317 | E | A | -2.4098 | |
| 318 | A | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | K | A | -2.9242 | |
| 321 | R | A | -2.9656 | |
| 322 | A | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | R | A | -2.2801 | |
| 325 | Y | A | -1.5365 | |
| 326 | A | A | 0.0000 | |
| 327 | I | A | -1.2353 | |
| 328 | N | A | -1.7833 | |
| 329 | H | A | -1.2984 | |
| 330 | L | A | -0.9858 | |
| 331 | T | A | -1.0469 | |
| 332 | E | A | -1.2113 | |
| 333 | R | A | -0.9559 | |
| 334 | Q | A | -1.2583 | |
| 335 | Q | A | 0.0000 | |
| 336 | V | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | D | A | -1.6083 | |
| 339 | E | A | -1.6483 | |
| 340 | R | A | -2.0757 | |
| 341 | E | A | -1.9849 | |
| 342 | L | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | D | A | -1.5585 | |
| 345 | T | A | -0.9378 | |
| 346 | A | A | 0.0000 | |
| 347 | M | A | 0.0000 | |
| 348 | K | A | -1.2075 | |
| 349 | H | A | -1.3055 | |
| 350 | A | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | G | A | 0.0000 | |
| 353 | E | A | -1.6692 | |
| 354 | A | A | 0.0000 | |
| 355 | S | A | -1.0313 | |
| 356 | L | A | -0.5465 | |
| 357 | E | A | -1.2806 | |
| 358 | D | A | -1.8750 | |
| 359 | I | A | 0.0000 | |
| 360 | Q | A | -1.5178 | |
| 361 | K | A | -2.6374 | |
| 362 | E | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | L | A | -1.7790 | |
| 365 | R | A | -2.0745 | |
| 366 | Q | A | 0.0000 | |
| 367 | T | A | -1.5913 | |
| 368 | E | A | -2.3371 | |
| 369 | T | A | -1.4205 | |
| 370 | G | A | -1.4060 | |
| 371 | E | A | -1.4433 | |
| 372 | L | A | 0.0000 | |
| 373 | I | A | -0.5500 | |
| 374 | R | A | -0.5268 | |
| 375 | E | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | P | A | -0.4063 | |
| 378 | R | A | 0.0000 | |
| 379 | Y | A | 0.0000 | |
| 380 | R | A | -0.8838 | |
| 381 | P | A | -0.7541 | |
| 382 | G | A | 0.0000 | |
| 383 | G | A | -1.6162 | |
| 384 | Q | A | -0.8394 | |
| 385 | T | A | -0.6814 | |
| 386 | G | A | -0.7889 | |
| 387 | P | A | -1.2459 | |
| 388 | T | A | -1.7928 | |
| 389 | D | A | -2.8515 | |
| 390 | E | A | -2.9912 | |
| 391 | P | A | -1.8369 | |
| 392 | G | A | -1.6330 | |
| 393 | K | A | -1.4446 | |
| 394 | T | A | 0.0000 | |
| 395 | R | A | -1.4300 | |
| 396 | A | A | -1.0617 | |
| 397 | E | A | -1.1488 | |
| 398 | W | A | -1.1836 | |
| 399 | V | A | 0.0000 | |
| 400 | A | A | -1.1415 | |
| 401 | E | A | -0.9067 | |
| 402 | L | A | -1.4789 | |
| 403 | A | A | -1.6775 | |
| 404 | A | A | -1.2436 | |
| 405 | K | A | -2.0490 | |
| 406 | G | A | -1.7104 | |
| 407 | M | A | -1.9477 | |
| 408 | K | A | -2.7084 | |
| 409 | Q | A | -2.8909 | |
| 410 | G | A | -2.5785 | |
| 411 | A | A | -2.5598 | |
| 412 | A | A | 0.0000 | |
| 413 | R | A | -3.5088 | |
| 414 | E | A | -3.8141 | |
| 415 | R | A | -3.6652 | |
| 416 | V | A | 0.0000 | |
| 417 | D | A | -2.8668 | |
| 418 | N | A | -2.5953 | |
| 419 | A | A | -1.7090 | |
| 420 | I | A | -1.4413 | |
| 421 | K | A | -2.0845 | |
| 422 | T | A | -1.1024 | |
| 423 | G | A | -1.0997 | |
| 424 | G | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | V | A | -0.4013 | |
| 427 | P | A | -0.2575 | |
| 428 | I | A | -0.2626 | |
| 429 | E | A | -0.9423 | |
| 430 | A | A | -0.8251 | |
| 431 | R | A | -0.9613 | |
| 432 | Y | A | 0.0000 | |
| 433 | T | A | 0.0000 | |
| 434 | T | A | 0.0000 | |
| 435 | Q | A | -1.3509 | |
| 436 | T | A | -1.3015 | |
| 437 | A | A | 0.0000 | |
| 438 | L | A | 0.0000 | |
| 439 | E | A | -3.0142 | |
| 440 | R | A | -2.5392 | |
| 441 | E | A | 0.0000 | |
| 442 | K | A | -3.2853 | |
| 443 | R | A | -3.3971 | |
| 444 | I | A | 0.0000 | |
| 445 | L | A | -2.1785 | |
| 446 | Q | A | -2.9256 | |
| 447 | I | A | 0.0000 | |
| 448 | E | A | 0.0000 | |
| 449 | R | A | -3.4095 | |
| 450 | D | A | -3.2835 | |
| 451 | G | A | 0.0000 | |
| 452 | R | A | -2.5216 | |
| 453 | G | A | -1.8032 | |
| 454 | S | A | -1.4275 | |
| 455 | V | A | -0.7867 | |
| 456 | A | A | -0.4334 | |
| 457 | P | A | -0.5167 | |
| 458 | I | A | 0.0000 | |
| 459 | I | A | -0.8679 | |
| 460 | P | A | -1.0607 | |
| 461 | A | A | -1.7793 | |
| 462 | E | A | -3.0702 | |
| 463 | A | A | -2.4162 | |
| 464 | A | A | 0.0000 | |
| 465 | R | A | -3.9787 | |
| 466 | E | A | -3.7949 | |
| 467 | R | A | -3.1705 | |
| 468 | L | A | 0.0000 | |
| 469 | A | A | -2.0938 | |
| 470 | S | A | -1.5797 | |
| 471 | T | A | -1.5591 | |
| 472 | D | A | -2.1605 | |
| 473 | L | A | 0.0000 | |
| 474 | N | A | -1.9943 | |
| 475 | Q | A | -2.4908 | |
| 476 | G | A | 0.0000 | |
| 477 | Q | A | 0.0000 | |
| 478 | R | A | -2.4574 | |
| 479 | E | A | -2.8065 | |
| 480 | A | A | 0.0000 | |
| 481 | A | A | 0.0000 | |
| 482 | E | A | -1.6724 | |
| 483 | L | A | -0.9469 | |
| 484 | I | A | 0.0000 | |
| 485 | V | A | 0.0000 | |
| 486 | S | A | -0.7991 | |
| 487 | S | A | 0.0000 | |
| 488 | D | A | -1.6048 | |
| 489 | D | A | 0.0000 | |
| 490 | R | A | 0.0000 | |
| 491 | V | A | 0.0000 | |
| 492 | V | A | 0.0000 | |
| 493 | G | A | 0.0000 | |
| 494 | V | A | 0.0000 | |
| 495 | Q | A | -0.6738 | |
| 496 | G | A | 0.0000 | |
| 497 | V | A | 0.0000 | |
| 498 | E | A | 0.0000 | |
| 499 | G | A | -1.2161 | |
| 500 | T | A | 0.0000 | |
| 501 | G | A | -1.0467 | |
| 502 | K | A | -0.6029 | |
| 503 | S | A | -0.5392 | |
| 504 | H | A | -0.9612 | |
| 505 | M | A | 0.0000 | |
| 506 | L | A | 0.0000 | |
| 507 | D | A | -0.8801 | |
| 508 | T | A | -1.0149 | |
| 509 | A | A | 0.0000 | |
| 510 | K | A | -1.5668 | |
| 511 | Q | A | -2.2206 | |
| 512 | M | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | E | A | -2.8955 | |
| 515 | G | A | -2.4090 | |
| 516 | E | A | -2.8759 | |
| 517 | G | A | -2.0388 | |
| 518 | Y | A | -2.5586 | |
| 519 | H | A | -2.7720 | |
| 520 | V | A | 0.0000 | |
| 521 | R | A | -1.2525 | |
| 522 | A | A | 0.0000 | |
| 523 | L | A | 0.0000 | |
| 524 | A | A | 0.0000 | |
| 525 | P | A | 0.0682 | |
| 526 | Y | A | -0.0008 | |
| 527 | G | A | -0.5886 | |
| 528 | S | A | -0.8354 | |
| 529 | Q | A | -0.9376 | |
| 530 | V | A | 0.0000 | |
| 531 | K | A | -2.0980 | |
| 532 | A | A | -1.5071 | |
| 533 | L | A | 0.0000 | |
| 534 | R | A | -3.4371 | |
| 535 | E | A | -2.9252 | |
| 536 | L | A | -1.5545 | |
| 537 | G | A | -1.9808 | |
| 538 | I | A | 0.0000 | |
| 539 | E | A | -2.8619 | |
| 540 | A | A | 0.0000 | |
| 541 | N | A | -0.9252 | |
| 542 | T | A | -0.2844 | |
| 543 | L | A | 0.0000 | |
| 544 | A | A | -0.3358 | |
| 545 | S | A | -0.9199 | |
| 546 | F | A | 0.0000 | |
| 547 | L | A | -1.2378 | |
| 548 | R | A | -2.4631 | |
| 549 | A | A | -2.4828 | |
| 550 | E | A | -3.3258 | |
| 551 | E | A | -3.3781 | |
| 552 | K | A | -2.4923 | |
| 553 | N | A | -2.4155 | |
| 554 | I | A | -2.4350 | |
| 555 | D | A | -3.5874 | |
| 556 | E | A | -3.6189 | |
| 557 | R | A | -3.2298 | |
| 558 | T | A | 0.0000 | |
| 559 | V | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | V | A | 0.0000 | |
| 562 | I | A | 0.0000 | |
| 563 | D | A | 0.0000 | |
| 564 | E | A | -0.2274 | |
| 565 | A | A | 0.0000 | |
| 566 | G | A | 0.0000 | |
| 567 | V | A | 0.0000 | |
| 568 | V | A | 0.0000 | |
| 569 | P | A | 0.0000 | |
| 570 | T | A | 0.0000 | |
| 571 | R | A | -1.0789 | |
| 572 | L | A | -0.5433 | |
| 573 | M | A | 0.0000 | |
| 574 | E | A | -1.4091 | |
| 575 | Q | A | -0.9917 | |
| 576 | T | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | K | A | -2.0555 | |
| 579 | L | A | -1.4146 | |
| 580 | A | A | 0.0000 | |
| 581 | E | A | -2.6653 | |
| 582 | K | A | -2.7913 | |
| 583 | A | A | -2.6634 | |
| 584 | G | A | -2.5011 | |
| 585 | A | A | 0.0000 | |
| 586 | R | A | 0.0000 | |
| 587 | V | A | 0.0000 | |
| 588 | V | A | 0.0000 | |
| 589 | L | A | 0.0000 | |
| 590 | M | A | 0.0000 | |
| 591 | G | A | 0.0000 | |
| 592 | N | A | 0.0000 | |
| 593 | S | A | -0.2955 | |
| 594 | A | A | -0.2315 | |
| 595 | Q | A | 0.0000 | |
| 596 | T | A | 0.0000 | |
| 597 | K | A | 0.0440 | |
| 598 | A | A | 0.0000 | |
| 599 | I | A | 1.3953 | |
| 600 | E | A | -0.0689 | |
| 601 | A | A | 0.0000 | |
| 602 | G | A | 0.0000 | |
| 603 | S | A | 0.0000 | |
| 604 | P | A | 0.0000 | |
| 605 | F | A | 0.0000 | |
| 606 | D | A | -0.5134 | |
| 607 | Q | A | 0.0000 | |
| 608 | L | A | 0.0000 | |
| 609 | Q | A | -0.8899 | |
| 610 | A | A | -0.3037 | |
| 611 | A | A | -0.7018 | |
| 612 | G | A | -1.2154 | |
| 613 | L | A | 0.0000 | |
| 614 | R | A | -2.0730 | |
| 615 | T | A | -1.4800 | |
| 616 | A | A | 0.0000 | |
| 617 | H | A | -1.6932 | |
| 618 | M | A | 0.0000 | |
| 619 | T | A | -1.5165 | |
| 620 | E | A | -2.4274 | |
| 621 | V | A | 0.0000 | |
| 622 | Q | A | -2.2267 | |
| 623 | R | A | -2.1912 | |
| 624 | Q | A | 0.0000 | |
| 625 | K | A | -3.0464 | |
| 626 | N | A | -2.3039 | |
| 627 | P | A | -1.5829 | |
| 628 | E | A | -2.3907 | |
| 629 | L | A | 0.0000 | |
| 630 | K | A | -2.0935 | |
| 631 | I | A | -0.5650 | |
| 632 | A | A | 0.0000 | |
| 633 | V | A | 0.0000 | |
| 634 | E | A | -1.4781 | |
| 635 | L | A | -0.9702 | |
| 636 | A | A | 0.0000 | |
| 637 | A | A | -0.6652 | |
| 638 | A | A | -0.7675 | |
| 639 | G | A | -1.4277 | |
| 640 | E | A | -1.9144 | |
| 641 | A | A | 0.0000 | |
| 642 | S | A | -1.2897 | |
| 643 | S | A | -1.4022 | |
| 644 | S | A | 0.0000 | |
| 645 | L | A | 0.0000 | |
| 646 | E | A | -2.9437 | |
| 647 | R | A | -2.8054 | |
| 648 | I | A | 0.0000 | |
| 649 | K | A | -3.2233 | |
| 650 | D | A | -2.6574 | |
| 651 | V | A | -1.7066 | |
| 652 | T | A | -1.3448 | |
| 653 | E | A | -2.1312 | |
| 654 | I | A | 0.0000 | |
| 655 | P | A | -1.9479 | |
| 656 | D | A | -2.4796 | |
| 657 | H | A | -1.7381 | |
| 658 | H | A | -1.7828 | |
| 659 | E | A | -2.5574 | |
| 660 | R | A | 0.0000 | |
| 661 | R | A | -1.3174 | |
| 662 | A | A | -1.5570 | |
| 663 | A | A | -1.1717 | |
| 664 | V | A | 0.0000 | |
| 665 | A | A | 0.0000 | |
| 666 | E | A | -1.6490 | |
| 667 | A | A | -0.8338 | |
| 668 | Y | A | 0.0000 | |
| 669 | I | A | -0.6045 | |
| 670 | A | A | -0.3739 | |
| 671 | L | A | -0.8046 | |
| 672 | S | A | -1.2106 | |
| 673 | P | A | -2.0237 | |
| 674 | D | A | -3.2480 | |
| 675 | E | A | -2.8785 | |
| 676 | R | A | -2.5816 | |
| 677 | D | A | -3.5781 | |
| 678 | R | A | -3.2327 | |
| 679 | T | A | 0.0000 | |
| 680 | L | A | 0.0000 | |
| 681 | I | A | 0.0000 | |
| 682 | V | A | 0.0000 | |
| 683 | S | A | 0.0000 | |
| 684 | G | A | -0.9855 | |
| 685 | T | A | -1.4306 | |
| 686 | N | A | -1.9068 | |
| 687 | E | A | -2.2372 | |
| 688 | A | A | 0.0000 | |
| 689 | R | A | 0.0000 | |
| 690 | R | A | -1.7371 | |
| 691 | E | A | -1.3568 | |
| 692 | I | A | 0.0000 | |
| 693 | N | A | 0.0000 | |
| 694 | Q | A | -1.5152 | |
| 695 | I | A | -1.2009 | |
| 696 | V | A | 0.0000 | |
| 697 | R | A | 0.0000 | |
| 698 | E | A | -2.1114 | |
| 699 | G | A | -1.4958 | |
| 700 | L | A | -0.6679 | |
| 701 | G | A | -1.0907 | |
| 702 | L | A | -0.9010 | |
| 703 | A | A | -1.4757 | |
| 704 | G | A | -1.7152 | |
| 705 | K | A | -1.7406 | |
| 706 | G | A | -1.0270 | |
| 707 | I | A | -1.1418 | |
| 708 | E | A | -2.7662 | |
| 709 | F | A | 0.0000 | |
| 710 | D | A | -3.6464 | |
| 711 | T | A | 0.0000 | |
| 712 | L | A | 0.0000 | |
| 713 | V | A | -0.5561 | |
| 714 | R | A | -1.1125 | |
| 715 | V | A | -0.9265 | |
| 716 | D | A | -1.8256 | |
| 717 | T | A | 0.0000 | |
| 718 | T | A | 0.0000 | |
| 719 | Q | A | -1.5691 | |
| 720 | A | A | 0.0000 | |
| 721 | E | A | 0.0000 | |
| 722 | R | A | -1.1090 | |
| 723 | R | A | -1.1941 | |
| 724 | F | A | -0.8154 | |
| 725 | S | A | 0.0000 | |
| 726 | K | A | -1.4533 | |
| 727 | N | A | -1.3028 | |
| 728 | F | A | 0.0000 | |
| 729 | Q | A | -0.7084 | |
| 730 | V | A | 0.8762 | |
| 731 | G | A | 0.2786 | |
| 732 | H | A | 0.0000 | |
| 733 | V | A | 0.0000 | |
| 734 | I | A | 0.0000 | |
| 735 | Q | A | 0.0000 | |
| 736 | P | A | 0.0000 | |
| 737 | L | A | -0.8596 | |
| 738 | K | A | -2.1352 | |
| 739 | D | A | -2.7864 | |
| 740 | Y | A | 0.0000 | |
| 741 | P | A | -1.9228 | |
| 742 | E | A | -2.0254 | |
| 743 | Y | A | -1.3098 | |
| 744 | G | A | -1.6202 | |
| 745 | L | A | 0.0000 | |
| 746 | K | A | -2.7715 | |
| 747 | K | A | -3.1638 | |
| 748 | G | A | -1.8473 | |
| 749 | R | A | -2.3248 | |
| 750 | L | A | 0.0000 | |
| 751 | Y | A | 0.0000 | |
| 752 | R | A | -0.2863 | |
| 753 | V | A | 0.0000 | |
| 754 | V | A | 0.3517 | |
| 755 | E | A | -0.1083 | |
| 756 | T | A | -0.4931 | |
| 757 | G | A | -0.6460 | |
| 758 | P | A | -0.9116 | |
| 759 | G | A | -1.1431 | |
| 760 | N | A | -1.1019 | |
| 761 | R | A | -1.6800 | |
| 762 | L | A | 0.0000 | |
| 763 | T | A | 0.0000 | |
| 764 | V | A | 0.0000 | |
| 765 | I | A | -1.2629 | |
| 766 | G | A | 0.0000 | |
| 767 | L | A | -1.7643 | |
| 768 | E | A | -3.0250 | |
| 769 | D | A | -2.7092 | |
| 770 | G | A | -2.2903 | |
| 771 | Q | A | -2.7265 | |
| 772 | R | A | -2.5850 | |
| 773 | I | A | -1.4377 | |
| 774 | Q | A | -1.6907 | |
| 775 | F | A | 0.0000 | |
| 776 | N | A | -1.2550 | |
| 777 | P | A | 0.0000 | |
| 778 | M | A | -0.5239 | |
| 779 | T | A | -0.3748 | |
| 780 | L | A | 0.0000 | |
| 781 | P | A | -0.8279 | |
| 782 | D | A | -1.3152 | |
| 783 | I | A | 0.0000 | |
| 784 | S | A | -0.5244 | |
| 785 | V | A | 0.0000 | |
| 786 | Y | A | 0.0000 | |
| 787 | Q | A | -0.8597 | |
| 788 | P | A | -1.4851 | |
| 789 | E | A | -2.2005 | |
| 790 | R | A | -3.3777 | |
| 791 | A | A | -2.2279 | |
| 792 | E | A | -1.9121 | |
| 793 | L | A | 0.0000 | |
| 794 | A | A | 0.0000 | |
| 795 | V | A | 1.7000 | |
| 796 | G | A | 0.7674 | |
| 797 | D | A | 0.0000 | |
| 798 | T | A | -0.6978 | |
| 799 | I | A | 0.0000 | |
| 800 | R | A | -1.0484 | |
| 801 | I | A | 0.0000 | |
| 802 | T | A | -0.9497 | |
| 803 | R | A | -1.5017 | |
| 804 | N | A | -2.3686 | |
| 805 | N | A | -2.7771 | |
| 806 | E | A | -3.6947 | |
| 807 | E | A | -3.2967 | |
| 808 | L | A | -2.4815 | |
| 809 | D | A | -3.2127 | |
| 810 | L | A | 0.0000 | |
| 811 | A | A | 0.0000 | |
| 812 | N | A | -1.4802 | |
| 813 | G | A | -1.0523 | |
| 814 | D | A | -1.1315 | |
| 815 | R | A | -1.3494 | |
| 816 | M | A | 0.0000 | |
| 817 | K | A | -1.5227 | |
| 818 | V | A | 0.0000 | |
| 819 | V | A | 0.9065 | |
| 820 | A | A | 0.0561 | |
| 821 | V | A | -1.0034 | |
| 822 | E | A | -2.6129 | |
| 823 | P | A | -2.5456 | |
| 824 | D | A | -3.6992 | |
| 825 | K | A | -3.3079 | |
| 826 | V | A | 0.0000 | |
| 827 | T | A | -1.1312 | |
| 828 | V | A | 0.0000 | |
| 829 | T | A | -2.1421 | |
| 830 | D | A | -2.3908 | |
| 831 | G | A | -2.2709 | |
| 832 | K | A | -2.7806 | |
| 833 | R | A | -2.5710 | |
| 834 | N | A | -2.6312 | |
| 835 | V | A | 0.0000 | |
| 836 | E | A | -2.2829 | |
| 837 | L | A | 0.0000 | |
| 838 | P | A | -2.5064 | |
| 839 | T | A | -3.1984 | |
| 840 | D | A | -3.5840 | |
| 841 | R | A | -3.3328 | |
| 842 | P | A | -2.0838 | |
| 843 | L | A | 0.0000 | |
| 844 | F | A | -0.6551 | |
| 845 | V | A | 0.0000 | |
| 846 | D | A | -0.6746 | |
| 847 | H | A | -0.8206 | |
| 848 | A | A | 0.0000 | |
| 849 | Y | A | 0.0000 | |
| 850 | A | A | 0.0000 | |
| 851 | T | A | 0.0000 | |
| 852 | T | A | 0.0000 | |
| 853 | V | A | 0.0000 | |
| 854 | H | A | -1.1969 | |
| 855 | S | A | -0.7606 | |
| 856 | S | A | 0.0000 | |
| 857 | Q | A | -0.8144 | |
| 858 | G | A | -0.9830 | |
| 859 | L | A | -1.0041 | |
| 860 | R | A | -2.2358 | |
| 861 | A | A | 0.0000 | |
| 862 | D | A | -2.5800 | |
| 863 | R | A | -2.2077 | |
| 864 | V | A | 0.0000 | |
| 865 | L | A | 0.0000 | |
| 866 | I | A | 0.0000 | |
| 867 | D | A | 0.0000 | |
| 868 | A | A | 0.0000 | |
| 869 | H | A | -1.5700 | |
| 870 | A | A | 0.0000 | |
| 871 | E | A | -2.6097 | |
| 872 | S | A | -1.9384 | |
| 873 | R | A | -2.5106 | |
| 874 | T | A | -1.4335 | |
| 875 | T | A | 0.0000 | |
| 876 | A | A | 0.0000 | |
| 877 | K | A | -1.4796 | |
| 878 | D | A | 0.0000 | |
| 879 | V | A | 0.0000 | |
| 880 | Y | A | 0.0000 | |
| 881 | Y | A | 0.0000 | |
| 882 | V | A | 0.0000 | |
| 883 | A | A | 0.0000 | |
| 884 | I | A | 0.0000 | |
| 885 | S | A | 0.0000 | |
| 886 | R | A | 0.0000 | |
| 887 | A | A | 0.0000 | |
| 888 | E | A | -2.6267 | |
| 889 | E | A | -2.6395 | |
| 890 | E | A | -2.8498 | |
| 891 | A | A | -1.7318 | |
| 892 | R | A | -1.6994 | |
| 893 | V | A | 0.0000 | |
| 894 | F | A | 0.0000 | |
| 895 | T | A | 0.0000 | |
| 896 | D | A | -2.3685 | |
| 897 | N | A | -2.6868 | |
| 898 | K | A | -2.7773 | |
| 899 | E | A | -3.0426 | |
| 900 | K | A | -2.6093 | |
| 901 | L | A | 0.0000 | |
| 902 | P | A | -1.5518 | |
| 903 | A | A | -1.0762 | |
| 904 | A | A | 0.0000 | |
| 905 | I | A | 0.0000 | |
| 906 | A | A | -1.3123 | |
| 907 | R | A | -1.9815 | |
| 908 | E | A | -2.0897 | |
| 909 | N | A | -0.9406 | |
| 910 | I | A | 0.5218 | |
| 911 | K | A | -0.2404 | |
| 912 | E | A | -1.0766 | |
| 913 | R | A | -1.4750 | |
| 914 | A | A | 0.0000 | |
| 915 | H | A | -1.9692 | |
| 916 | D | A | -1.6372 | |
| 917 | L | A | 0.0000 | |
| 918 | V | A | 0.5245 | |
| 919 | L | A | 0.3928 | |
| 920 | D | A | -0.7526 | |
| 921 | P | A | -1.4023 | |
| 922 | D | A | -2.0575 | |
| 923 | A | A | -1.4268 | |
| 924 | A | A | -1.5117 | |
| 925 | S | A | -2.0441 | |
| 926 | A | A | -1.8835 | |
| 927 | A | A | -1.9341 | |
| 928 | A | A | 0.0000 | |
| 929 | E | A | -3.7032 | |
| 930 | R | A | -4.1845 | |
| 931 | Q | A | -3.6957 | |
| 932 | R | A | -4.2220 | |
| 933 | E | A | -5.0996 | |
| 934 | Q | A | -4.5367 | |
| 935 | Q | A | -4.5483 | |
| 936 | R | A | -5.2976 | |
| 937 | E | A | -5.5090 | |
| 938 | A | A | -4.5792 | |
| 939 | E | A | -5.7182 | |
| 940 | R | A | -5.6960 | |
| 941 | N | A | -5.0182 | |
| 942 | R | A | -4.9930 | |
| 943 | Q | A | -4.0786 | |
| 944 | T | A | -2.8462 | |
| 945 | Q | A | -2.8306 | |
| 946 | V | A | -1.7752 | |
| 947 | P | A | -1.6474 | |
| 948 | A | A | -1.9583 | |
| 949 | H | A | -2.8825 | |
| 950 | D | A | -3.7348 | |
| 951 | R | A | -3.4688 | |
| 952 | Q | A | -3.7193 | |
| 953 | K | A | -4.4899 | |
| 954 | A | A | -3.5208 | |
| 955 | A | A | -3.4478 | |
| 956 | R | A | -4.5342 | |
| 957 | E | A | -4.5299 | |
| 958 | A | A | -3.2426 | |
| 959 | E | A | -4.2975 | |
| 960 | R | A | -4.0883 | |
| 961 | G | A | -2.5710 | |
| 962 | M | A | -1.9848 | |
| 963 | E | A | -3.0228 | |
| 964 | A | A | -1.2886 | |
| 965 | L | A | -0.0320 | |
| 966 | R | A | -1.5907 |
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 | -1.0695 | 3.0838 | View | CSV | PDB |
| 4.5 | -1.1587 | 3.0155 | View | CSV | PDB |
| 5.0 | -1.2735 | 2.9155 | View | CSV | PDB |
| 5.5 | -1.3947 | 2.8003 | View | CSV | PDB |
| 6.0 | -1.5014 | 2.688 | View | CSV | PDB |
| 6.5 | -1.5764 | 2.5968 | View | CSV | PDB |
| 7.0 | -1.6135 | 2.5403 | View | CSV | PDB |
| 7.5 | -1.6207 | 2.5143 | View | CSV | PDB |
| 8.0 | -1.6098 | 2.5047 | View | CSV | PDB |
| 8.5 | -1.5871 | 2.5015 | View | CSV | PDB |
| 9.0 | -1.5537 | 2.6437 | 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