| Chain sequence(s) |
A: MGKTANSPGSGARPDPVRSFNRWKKKHSHRQNKKKQLRKQLKKPEWQVERESISRLMQNYEKINVNEITRFSDFPLSKKTLKGLQEAQYRLVTEIQKQTIGLALQGKDVLGAAKTGSGKTLAFLVPVLEALYRLQWTSTDGLGVLIISPTRELAYQTFEVLRKVGKNHDFSAGLIIGGKDLKHEAERINNINILVCTPGRLLQHMDETVSFHATDLQMLVLDEADRILDMGFADTMNAVIENLPKKRQTLLFSATQTKSVKDLARLSLKNPEYVWVHEKAKYSTPATLEQNYIVCELQQKISVLYSFLRSHLKKKSIVFFSSCKEVQYLYRVFCRLRPGVSILALHGRQQQMRRMEVYNEFVRKRAAVLFATDIAARGLDFPAVNWVLQFDCPEDANTYIHRAGRTARYKEDGEALLILLPSEKAMVQQLLQKKVPVKEIKINPEKLIDVQKKLESILAQDQDLKERAQRCFVSYVRSVYLMKDKEVFDVSKLPIPEYALSLGLAVAPRVRFLQKMQKQPTKELVRSQADKVIEPRAPSLTNDEVEEFRAYFNEKMSILQKGGKRLEGTEHRQDNDTGNEEQEEEEDDEEEMEEKLAKAKGSQAPSLPNTSEAQKIKEVPTQFLDRDEEEEDADFLKVKRHNVFGLDLKDEKTLQKKEPSKSSIKKKMTKVAEAKKVMKRNFKVNKKITFTDEGELVQQWPQMQKSAIKDAEEDDDTGGINLHKAKERLQEEDKFDKEEYRKKIKAKHREKRLKEREARREANKRQAKAKDEEEAFLDWSDDDDDDDDGFDPSTLPDPDKYRSSEDSDSEDMENKISDTKKKQGMKKRSNSEVEDVGPTSHNRKKARWDTLEPLDTGLSLAEDEELVLHLLRSQS
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:29:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/aa6ad707247b89c/tmp/folded.pdb (00:29:37)
[INFO] Main: Simulation completed successfully. (00:44:51)
|
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 | 0.4651 | |
| 2 | G | A | -0.7999 | |
| 3 | K | A | -1.7208 | |
| 4 | T | A | -1.2565 | |
| 5 | A | A | -1.0532 | |
| 6 | N | A | -1.4980 | |
| 7 | S | A | -1.1992 | |
| 8 | P | A | -0.9737 | |
| 9 | G | A | -1.0331 | |
| 10 | S | A | -0.9601 | |
| 11 | G | A | -1.2150 | |
| 12 | A | A | -1.3112 | |
| 13 | R | A | -2.2450 | |
| 14 | P | A | -1.6079 | |
| 15 | D | A | -1.0731 | |
| 16 | P | A | -0.3494 | |
| 17 | V | A | 0.8510 | |
| 18 | R | A | -1.4346 | |
| 19 | S | A | -0.7410 | |
| 20 | F | A | 0.4704 | |
| 21 | N | A | -1.5520 | |
| 22 | R | A | -2.5448 | |
| 23 | W | A | -1.0972 | |
| 24 | K | A | -2.7816 | |
| 25 | K | A | -3.6738 | |
| 26 | K | A | -3.6159 | |
| 27 | H | A | -3.6634 | |
| 28 | S | A | -3.5531 | |
| 29 | H | A | -4.5431 | |
| 30 | R | A | -5.4265 | |
| 31 | Q | A | -4.9690 | |
| 32 | N | A | -5.0637 | |
| 33 | K | A | -5.4683 | |
| 34 | K | A | -5.4803 | |
| 35 | K | A | -5.2840 | |
| 36 | Q | A | -4.7809 | |
| 37 | L | A | -3.3708 | |
| 38 | R | A | -4.5065 | |
| 39 | K | A | -4.4714 | |
| 40 | Q | A | -3.0872 | |
| 41 | L | A | -1.5778 | |
| 42 | K | A | -3.3471 | |
| 43 | K | A | -2.7820 | |
| 44 | P | A | -1.8978 | |
| 45 | E | A | -2.1505 | |
| 46 | W | A | -0.6577 | |
| 47 | Q | A | -1.3094 | |
| 48 | V | A | -0.9673 | |
| 49 | E | A | -1.7914 | |
| 50 | R | A | -2.0476 | |
| 51 | E | A | -1.7179 | |
| 52 | S | A | -1.4125 | |
| 53 | I | A | 0.0000 | |
| 54 | S | A | -1.7123 | |
| 55 | R | A | -2.5913 | |
| 56 | L | A | -1.4394 | |
| 57 | M | A | -1.2511 | |
| 58 | Q | A | -2.5064 | |
| 59 | N | A | -2.6377 | |
| 60 | Y | A | 0.0000 | |
| 61 | E | A | -3.1032 | |
| 62 | K | A | -2.9768 | |
| 63 | I | A | -2.0740 | |
| 64 | N | A | -2.1246 | |
| 65 | V | A | -1.6171 | |
| 66 | N | A | -2.2326 | |
| 67 | E | A | -2.7386 | |
| 68 | I | A | 0.0000 | |
| 69 | T | A | -1.3716 | |
| 70 | R | A | -1.4377 | |
| 71 | F | A | 0.0000 | |
| 72 | S | A | -1.2996 | |
| 73 | D | A | -1.2424 | |
| 74 | F | A | 0.0000 | |
| 75 | P | A | -0.9588 | |
| 76 | L | A | 0.0000 | |
| 77 | S | A | 0.0000 | |
| 78 | K | A | -2.1702 | |
| 79 | K | A | -2.1612 | |
| 80 | T | A | 0.0000 | |
| 81 | L | A | -1.6103 | |
| 82 | K | A | -2.3920 | |
| 83 | G | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | Q | A | -2.6605 | |
| 86 | E | A | -2.9690 | |
| 87 | A | A | -2.1985 | |
| 88 | Q | A | -2.2605 | |
| 89 | Y | A | -1.3597 | |
| 90 | R | A | -1.9928 | |
| 91 | L | A | -0.2146 | |
| 92 | V | A | -0.4491 | |
| 93 | T | A | -0.6599 | |
| 94 | E | A | -1.7885 | |
| 95 | I | A | 0.0000 | |
| 96 | Q | A | 0.0000 | |
| 97 | K | A | -1.5371 | |
| 98 | Q | A | -1.1034 | |
| 99 | T | A | 0.0000 | |
| 100 | I | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | L | A | -0.7716 | |
| 103 | A | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | Q | A | -1.1999 | |
| 106 | G | A | -1.0108 | |
| 107 | K | A | -1.7773 | |
| 108 | D | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | G | A | 0.0000 | |
| 112 | A | A | -0.0674 | |
| 113 | A | A | 0.0000 | |
| 114 | K | A | -0.3906 | |
| 115 | T | A | -0.3011 | |
| 116 | G | A | -0.0749 | |
| 117 | S | A | -0.3018 | |
| 118 | G | A | -0.2418 | |
| 119 | K | A | 0.0000 | |
| 120 | T | A | -0.0139 | |
| 121 | L | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | P | A | 0.0000 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | E | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | Y | A | -0.4931 | |
| 133 | R | A | -0.1373 | |
| 134 | L | A | 0.3530 | |
| 135 | Q | A | -0.8224 | |
| 136 | W | A | -0.6226 | |
| 137 | T | A | -1.0195 | |
| 138 | S | A | -1.2405 | |
| 139 | T | A | -1.0933 | |
| 140 | D | A | -1.9799 | |
| 141 | G | A | -1.7412 | |
| 142 | L | A | 0.0000 | |
| 143 | G | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | I | A | 0.0000 | |
| 147 | I | A | 0.0000 | |
| 148 | S | A | 0.0000 | |
| 149 | P | A | 0.0000 | |
| 150 | T | A | 0.0000 | |
| 151 | R | A | -0.5218 | |
| 152 | E | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | A | A | 0.0000 | |
| 155 | Y | A | 0.0874 | |
| 156 | Q | A | -0.4546 | |
| 157 | T | A | 0.0000 | |
| 158 | F | A | -0.5653 | |
| 159 | E | A | -1.3732 | |
| 160 | V | A | -1.1675 | |
| 161 | L | A | 0.0000 | |
| 162 | R | A | -3.0554 | |
| 163 | K | A | -2.7878 | |
| 164 | V | A | 0.0000 | |
| 165 | G | A | -2.3017 | |
| 166 | K | A | -3.3192 | |
| 167 | N | A | -2.4937 | |
| 168 | H | A | -2.0518 | |
| 169 | D | A | -2.1407 | |
| 170 | F | A | -1.1415 | |
| 171 | S | A | -0.8070 | |
| 172 | A | A | -0.5230 | |
| 173 | G | A | 0.0000 | |
| 174 | L | A | 0.1355 | |
| 175 | I | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | G | A | -1.0199 | |
| 178 | G | A | -1.4024 | |
| 179 | K | A | -2.1318 | |
| 180 | D | A | -3.0229 | |
| 181 | L | A | -2.6492 | |
| 182 | K | A | -3.5164 | |
| 183 | H | A | -3.4715 | |
| 184 | E | A | -2.9169 | |
| 185 | A | A | -2.7334 | |
| 186 | E | A | -3.8057 | |
| 187 | R | A | -3.7759 | |
| 188 | I | A | 0.0000 | |
| 189 | N | A | -2.4391 | |
| 190 | N | A | -2.5454 | |
| 191 | I | A | -1.1727 | |
| 192 | N | A | 0.0000 | |
| 193 | I | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | C | A | 0.0000 | |
| 197 | T | A | -0.1531 | |
| 198 | P | A | 0.0000 | |
| 199 | G | A | -0.5522 | |
| 200 | R | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | L | A | -0.8287 | |
| 203 | Q | A | -1.4163 | |
| 204 | H | A | 0.0000 | |
| 205 | M | A | -1.2016 | |
| 206 | D | A | -2.2654 | |
| 207 | E | A | -2.1821 | |
| 208 | T | A | 0.0000 | |
| 209 | V | A | 0.8576 | |
| 210 | S | A | -0.2523 | |
| 211 | F | A | -0.9679 | |
| 212 | H | A | -1.0912 | |
| 213 | A | A | -1.3365 | |
| 214 | T | A | -1.7677 | |
| 215 | D | A | -2.5749 | |
| 216 | L | A | 0.0000 | |
| 217 | Q | A | -1.2755 | |
| 218 | M | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | D | A | 0.0000 | |
| 223 | E | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | D | A | -0.9922 | |
| 226 | R | A | -0.7790 | |
| 227 | I | A | 0.0000 | |
| 228 | L | A | -0.8974 | |
| 229 | D | A | -1.6789 | |
| 230 | M | A | -0.5888 | |
| 231 | G | A | -0.9295 | |
| 232 | F | A | -0.7035 | |
| 233 | A | A | -1.1112 | |
| 234 | D | A | -2.0025 | |
| 235 | T | A | -1.0183 | |
| 236 | M | A | 0.0000 | |
| 237 | N | A | -1.8477 | |
| 238 | A | A | -1.5830 | |
| 239 | V | A | 0.0000 | |
| 240 | I | A | 0.0000 | |
| 241 | E | A | -2.6938 | |
| 242 | N | A | -2.3049 | |
| 243 | L | A | 0.0000 | |
| 244 | P | A | -2.0870 | |
| 245 | K | A | -2.5142 | |
| 246 | K | A | -2.8019 | |
| 247 | R | A | -2.1152 | |
| 248 | Q | A | -1.3562 | |
| 249 | T | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | F | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | A | A | -0.2852 | |
| 255 | T | A | -0.4945 | |
| 256 | Q | A | -0.9015 | |
| 257 | T | A | -1.3278 | |
| 258 | K | A | -2.2928 | |
| 259 | S | A | -1.8533 | |
| 260 | V | A | 0.0000 | |
| 261 | K | A | -2.2451 | |
| 262 | D | A | -1.9274 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | R | A | -2.4747 | |
| 266 | L | A | -1.1474 | |
| 267 | S | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | K | A | -3.1625 | |
| 270 | N | A | -2.6518 | |
| 271 | P | A | -1.9333 | |
| 272 | E | A | -1.3510 | |
| 273 | Y | A | 0.0268 | |
| 274 | V | A | 0.0000 | |
| 275 | W | A | -0.2626 | |
| 276 | V | A | -0.7844 | |
| 277 | H | A | -1.7951 | |
| 278 | E | A | -2.7004 | |
| 279 | K | A | -2.8513 | |
| 280 | A | A | -2.2305 | |
| 281 | K | A | -2.4398 | |
| 282 | Y | A | -1.3322 | |
| 283 | S | A | -1.3331 | |
| 284 | T | A | 0.0000 | |
| 285 | P | A | -0.5005 | |
| 286 | A | A | -0.8200 | |
| 287 | T | A | -1.6165 | |
| 288 | L | A | 0.0000 | |
| 289 | E | A | -2.5159 | |
| 290 | Q | A | 0.0000 | |
| 291 | N | A | 0.0000 | |
| 292 | Y | A | -0.6257 | |
| 293 | I | A | 0.0000 | |
| 294 | V | A | -0.2061 | |
| 295 | C | A | 0.0000 | |
| 296 | E | A | -1.5549 | |
| 297 | L | A | 0.0000 | |
| 298 | Q | A | -1.1421 | |
| 299 | Q | A | -1.2506 | |
| 300 | K | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | S | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | Y | A | 0.0000 | |
| 306 | S | A | -0.5357 | |
| 307 | F | A | -0.1311 | |
| 308 | L | A | 0.0000 | |
| 309 | R | A | -1.5174 | |
| 310 | S | A | -1.1488 | |
| 311 | H | A | -1.1396 | |
| 312 | L | A | -1.1485 | |
| 313 | K | A | -2.3830 | |
| 314 | K | A | -1.8540 | |
| 315 | K | A | 0.0000 | |
| 316 | S | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | F | A | 0.0000 | |
| 320 | F | A | 0.0000 | |
| 321 | S | A | -0.4901 | |
| 322 | S | A | 0.0000 | |
| 323 | C | A | -0.7721 | |
| 324 | K | A | -0.9966 | |
| 325 | E | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | Q | A | -0.7457 | |
| 328 | Y | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | Y | A | -0.0749 | |
| 331 | R | A | -0.4450 | |
| 332 | V | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | C | A | -0.9622 | |
| 335 | R | A | -1.7365 | |
| 336 | L | A | 0.0000 | |
| 337 | R | A | -2.3683 | |
| 338 | P | A | 0.0000 | |
| 339 | G | A | -1.3543 | |
| 340 | V | A | -0.8842 | |
| 341 | S | A | -0.4801 | |
| 342 | I | A | 0.0000 | |
| 343 | L | A | 0.0896 | |
| 344 | A | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | H | A | 0.0000 | |
| 347 | G | A | -1.4984 | |
| 348 | R | A | -2.4950 | |
| 349 | Q | A | -1.7881 | |
| 350 | Q | A | -1.7818 | |
| 351 | Q | A | 0.0000 | |
| 352 | M | A | -0.3036 | |
| 353 | R | A | -1.3288 | |
| 354 | R | A | 0.0000 | |
| 355 | M | A | -1.0578 | |
| 356 | E | A | -2.0661 | |
| 357 | V | A | -1.3239 | |
| 358 | Y | A | 0.0000 | |
| 359 | N | A | -1.8561 | |
| 360 | E | A | -2.5098 | |
| 361 | F | A | 0.0000 | |
| 362 | V | A | -1.6266 | |
| 363 | R | A | -2.8224 | |
| 364 | K | A | -2.6024 | |
| 365 | R | A | -3.0285 | |
| 366 | A | A | -2.0091 | |
| 367 | A | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | F | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -0.1349 | |
| 373 | D | A | -0.1270 | |
| 374 | I | A | 0.0797 | |
| 375 | A | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | R | A | 0.0000 | |
| 378 | G | A | -0.2176 | |
| 379 | L | A | 0.0000 | |
| 380 | D | A | -0.3882 | |
| 381 | F | A | 0.0000 | |
| 382 | P | A | -0.6946 | |
| 383 | A | A | -0.8952 | |
| 384 | V | A | 0.0000 | |
| 385 | N | A | -1.1909 | |
| 386 | W | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | Q | A | 0.0000 | |
| 390 | F | A | 0.0000 | |
| 391 | D | A | 0.0000 | |
| 392 | C | A | 0.0000 | |
| 393 | P | A | 0.0000 | |
| 394 | E | A | -1.6004 | |
| 395 | D | A | -1.3725 | |
| 396 | A | A | 0.0000 | |
| 397 | N | A | -0.7076 | |
| 398 | T | A | 0.0000 | |
| 399 | Y | A | 0.0000 | |
| 400 | I | A | -0.0918 | |
| 401 | H | A | 0.0000 | |
| 402 | R | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | G | A | 0.0000 | |
| 405 | R | A | 0.0000 | |
| 406 | T | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | R | A | 0.0000 | |
| 409 | Y | A | -0.1382 | |
| 410 | K | A | -2.0687 | |
| 411 | E | A | -2.5121 | |
| 412 | D | A | -3.0551 | |
| 413 | G | A | 0.0000 | |
| 414 | E | A | -1.5946 | |
| 415 | A | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | I | A | 0.0000 | |
| 419 | L | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | P | A | -0.9039 | |
| 422 | S | A | -1.3641 | |
| 423 | E | A | 0.0000 | |
| 424 | K | A | -1.6885 | |
| 425 | A | A | -1.4530 | |
| 426 | M | A | 0.0000 | |
| 427 | V | A | -1.1448 | |
| 428 | Q | A | -1.7695 | |
| 429 | Q | A | -1.7435 | |
| 430 | L | A | 0.0000 | |
| 431 | L | A | -0.8521 | |
| 432 | Q | A | -2.1182 | |
| 433 | K | A | -2.1549 | |
| 434 | K | A | -2.4741 | |
| 435 | V | A | 0.0000 | |
| 436 | P | A | -1.0180 | |
| 437 | V | A | -1.1366 | |
| 438 | K | A | -2.0811 | |
| 439 | E | A | -1.4920 | |
| 440 | I | A | -0.7689 | |
| 441 | K | A | -1.4332 | |
| 442 | I | A | -1.0624 | |
| 443 | N | A | -2.1786 | |
| 444 | P | A | -1.9366 | |
| 445 | E | A | -2.7152 | |
| 446 | K | A | -2.6953 | |
| 447 | L | A | -1.1490 | |
| 448 | I | A | -0.6120 | |
| 449 | D | A | -2.0972 | |
| 450 | V | A | 0.0000 | |
| 451 | Q | A | -2.1908 | |
| 452 | K | A | -3.0210 | |
| 453 | K | A | -2.9253 | |
| 454 | L | A | 0.0000 | |
| 455 | E | A | -1.7525 | |
| 456 | S | A | -1.6229 | |
| 457 | I | A | -1.5641 | |
| 458 | L | A | 0.0000 | |
| 459 | A | A | -1.2576 | |
| 460 | Q | A | -1.9561 | |
| 461 | D | A | -2.4960 | |
| 462 | Q | A | -3.2110 | |
| 463 | D | A | -3.5349 | |
| 464 | L | A | 0.0000 | |
| 465 | K | A | -3.0816 | |
| 466 | E | A | -3.4747 | |
| 467 | R | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | Q | A | -1.7407 | |
| 470 | R | A | -1.3952 | |
| 471 | C | A | 0.0000 | |
| 472 | F | A | 0.0000 | |
| 473 | V | A | -0.7748 | |
| 474 | S | A | -0.7396 | |
| 475 | Y | A | 0.0000 | |
| 476 | V | A | 0.0000 | |
| 477 | R | A | -1.3756 | |
| 478 | S | A | -0.6877 | |
| 479 | V | A | 0.0000 | |
| 480 | Y | A | -0.5837 | |
| 481 | L | A | -0.5032 | |
| 482 | M | A | -1.3200 | |
| 483 | K | A | -2.7995 | |
| 484 | D | A | -2.5473 | |
| 485 | K | A | -2.4759 | |
| 486 | E | A | -2.9587 | |
| 487 | V | A | 0.0000 | |
| 488 | F | A | 0.0000 | |
| 489 | D | A | -1.8635 | |
| 490 | V | A | 0.0000 | |
| 491 | S | A | -1.1709 | |
| 492 | K | A | -1.9466 | |
| 493 | L | A | 0.0000 | |
| 494 | P | A | -0.9342 | |
| 495 | I | A | -0.3082 | |
| 496 | P | A | -0.0501 | |
| 497 | E | A | -0.7597 | |
| 498 | Y | A | 0.0000 | |
| 499 | A | A | 0.0000 | |
| 500 | L | A | 0.2850 | |
| 501 | S | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | G | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | A | A | 0.8970 | |
| 506 | V | A | 1.4985 | |
| 507 | A | A | 0.4011 | |
| 508 | P | A | -0.7187 | |
| 509 | R | A | -2.1240 | |
| 510 | V | A | -2.0121 | |
| 511 | R | A | -2.6926 | |
| 512 | F | A | -2.0367 | |
| 513 | L | A | -2.1127 | |
| 514 | Q | A | -3.4159 | |
| 515 | K | A | -3.4622 | |
| 516 | M | A | -2.2658 | |
| 517 | Q | A | -2.9295 | |
| 518 | K | A | -3.6956 | |
| 519 | Q | A | -3.0634 | |
| 520 | P | A | -1.8515 | |
| 521 | T | A | -1.6637 | |
| 522 | K | A | -2.5973 | |
| 523 | E | A | -2.3412 | |
| 524 | L | A | -0.0233 | |
| 525 | V | A | 0.1376 | |
| 526 | R | A | -2.1568 | |
| 527 | S | A | -2.0399 | |
| 528 | Q | A | -2.1303 | |
| 529 | A | A | -1.9972 | |
| 530 | D | A | -2.5769 | |
| 531 | K | A | -1.7484 | |
| 532 | V | A | 1.0693 | |
| 533 | I | A | 1.1118 | |
| 534 | E | A | -1.2674 | |
| 535 | P | A | -1.4308 | |
| 536 | R | A | -2.2692 | |
| 537 | A | A | -1.1035 | |
| 538 | P | A | -0.4036 | |
| 539 | S | A | 0.1103 | |
| 540 | L | A | 0.4556 | |
| 541 | T | A | -0.9840 | |
| 542 | N | A | -2.7325 | |
| 543 | D | A | -3.8154 | |
| 544 | E | A | -3.5730 | |
| 545 | V | A | -2.8054 | |
| 546 | E | A | -3.9300 | |
| 547 | E | A | -3.4891 | |
| 548 | F | A | -1.2032 | |
| 549 | R | A | -1.9887 | |
| 550 | A | A | -1.6411 | |
| 551 | Y | A | -0.0641 | |
| 552 | F | A | 0.1907 | |
| 553 | N | A | -1.2230 | |
| 554 | E | A | -1.5185 | |
| 555 | K | A | -0.6143 | |
| 556 | M | A | 0.1739 | |
| 557 | S | A | -0.3227 | |
| 558 | I | A | 0.5923 | |
| 559 | L | A | 1.0713 | |
| 560 | Q | A | -1.0061 | |
| 561 | K | A | -2.0017 | |
| 562 | G | A | -1.3335 | |
| 563 | G | A | -2.1456 | |
| 564 | K | A | -2.5422 | |
| 565 | R | A | -2.3873 | |
| 566 | L | A | -0.8165 | |
| 567 | E | A | -1.7850 | |
| 568 | G | A | -1.7582 | |
| 569 | T | A | -1.7661 | |
| 570 | E | A | -2.9553 | |
| 571 | H | A | -3.0216 | |
| 572 | R | A | -3.9320 | |
| 573 | Q | A | -3.7017 | |
| 574 | D | A | -3.7922 | |
| 575 | N | A | -3.4962 | |
| 576 | D | A | -2.8848 | |
| 577 | T | A | -1.6294 | |
| 578 | G | A | -1.8189 | |
| 579 | N | A | -2.8232 | |
| 580 | E | A | -3.6407 | |
| 581 | E | A | -3.7932 | |
| 582 | Q | A | -3.6253 | |
| 583 | E | A | -3.9801 | |
| 584 | E | A | -4.1224 | |
| 585 | E | A | -4.1923 | |
| 586 | E | A | -4.0912 | |
| 587 | D | A | -4.1532 | |
| 588 | D | A | -4.1863 | |
| 589 | E | A | -4.3330 | |
| 590 | E | A | -3.8370 | |
| 591 | E | A | -2.8520 | |
| 592 | M | A | -1.4199 | |
| 593 | E | A | -2.7924 | |
| 594 | E | A | -2.9793 | |
| 595 | K | A | -2.0546 | |
| 596 | L | A | -0.0146 | |
| 597 | A | A | -0.3450 | |
| 598 | K | A | -1.7399 | |
| 599 | A | A | -1.7647 | |
| 600 | K | A | -2.3139 | |
| 601 | G | A | -1.6513 | |
| 602 | S | A | -1.4154 | |
| 603 | Q | A | -1.4321 | |
| 604 | A | A | -0.7360 | |
| 605 | P | A | -0.2788 | |
| 606 | S | A | 0.4316 | |
| 607 | L | A | 0.9623 | |
| 608 | P | A | -0.0459 | |
| 609 | N | A | -1.1413 | |
| 610 | T | A | -1.2861 | |
| 611 | S | A | -1.3891 | |
| 612 | E | A | -2.1504 | |
| 613 | A | A | -1.8996 | |
| 614 | Q | A | -1.9198 | |
| 615 | K | A | -1.6635 | |
| 616 | I | A | -0.3421 | |
| 617 | K | A | -1.5235 | |
| 618 | E | A | -1.4166 | |
| 619 | V | A | 0.2219 | |
| 620 | P | A | 0.0965 | |
| 621 | T | A | 0.3105 | |
| 622 | Q | A | 0.0958 | |
| 623 | F | A | 1.3945 | |
| 624 | L | A | 0.7129 | |
| 625 | D | A | -2.0023 | |
| 626 | R | A | -3.1892 | |
| 627 | D | A | -3.9732 | |
| 628 | E | A | -4.5078 | |
| 629 | E | A | -4.4309 | |
| 630 | E | A | -4.6756 | |
| 631 | E | A | -4.4009 | |
| 632 | D | A | -3.5467 | |
| 633 | A | A | -1.7808 | |
| 634 | D | A | -1.6777 | |
| 635 | F | A | 1.4411 | |
| 636 | L | A | 1.4928 | |
| 637 | K | A | -0.6015 | |
| 638 | V | A | 0.1323 | |
| 639 | K | A | -2.3907 | |
| 640 | R | A | -2.9733 | |
| 641 | H | A | -2.0114 | |
| 642 | N | A | -1.0061 | |
| 643 | V | A | 1.6761 | |
| 644 | F | A | 2.2598 | |
| 645 | G | A | 1.0747 | |
| 646 | L | A | 1.2937 | |
| 647 | D | A | -1.0052 | |
| 648 | L | A | -0.4381 | |
| 649 | K | A | -2.5649 | |
| 650 | D | A | -3.6734 | |
| 651 | E | A | -3.6532 | |
| 652 | K | A | -2.8386 | |
| 653 | T | A | -1.0885 | |
| 654 | L | A | 0.0068 | |
| 655 | Q | A | -2.0166 | |
| 656 | K | A | -3.2735 | |
| 657 | K | A | -3.7934 | |
| 658 | E | A | -3.5763 | |
| 659 | P | A | -2.3811 | |
| 660 | S | A | -1.7877 | |
| 661 | K | A | -1.9878 | |
| 662 | S | A | -0.7528 | |
| 663 | S | A | -0.3342 | |
| 664 | I | A | 0.2898 | |
| 665 | K | A | -1.9422 | |
| 666 | K | A | -2.7639 | |
| 667 | K | A | -2.5879 | |
| 668 | M | A | -1.2900 | |
| 669 | T | A | -1.1342 | |
| 670 | K | A | -2.1561 | |
| 671 | V | A | -0.7386 | |
| 672 | A | A | -1.2903 | |
| 673 | E | A | -2.1071 | |
| 674 | A | A | -1.3911 | |
| 675 | K | A | -2.4765 | |
| 676 | K | A | -2.3866 | |
| 677 | V | A | -0.5118 | |
| 678 | M | A | -0.7109 | |
| 679 | K | A | -2.6154 | |
| 680 | R | A | -2.6559 | |
| 681 | N | A | -1.5375 | |
| 682 | F | A | 0.4056 | |
| 683 | K | A | -1.0117 | |
| 684 | V | A | 0.2993 | |
| 685 | N | A | -1.4794 | |
| 686 | K | A | -2.6150 | |
| 687 | K | A | -2.2432 | |
| 688 | I | A | 0.4295 | |
| 689 | T | A | 0.8598 | |
| 690 | F | A | 1.4373 | |
| 691 | T | A | -0.7567 | |
| 692 | D | A | -2.6907 | |
| 693 | E | A | -2.8994 | |
| 694 | G | A | -1.7230 | |
| 695 | E | A | -1.4068 | |
| 696 | L | A | 1.3426 | |
| 697 | V | A | 1.1934 | |
| 698 | Q | A | -0.5446 | |
| 699 | Q | A | -1.0404 | |
| 700 | W | A | 0.1147 | |
| 701 | P | A | -0.4378 | |
| 702 | Q | A | -1.2257 | |
| 703 | M | A | -0.4643 | |
| 704 | Q | A | -1.8977 | |
| 705 | K | A | -2.0124 | |
| 706 | S | A | -0.9308 | |
| 707 | A | A | -0.0956 | |
| 708 | I | A | 0.5858 | |
| 709 | K | A | -1.8069 | |
| 710 | D | A | -2.8134 | |
| 711 | A | A | -2.5595 | |
| 712 | E | A | -4.0928 | |
| 713 | E | A | -4.2878 | |
| 714 | D | A | -4.3954 | |
| 715 | D | A | -4.2023 | |
| 716 | D | A | -3.2116 | |
| 717 | T | A | -1.7361 | |
| 718 | G | A | -1.0893 | |
| 719 | G | A | 0.1118 | |
| 720 | I | A | 1.1710 | |
| 721 | N | A | -0.6405 | |
| 722 | L | A | -0.0251 | |
| 723 | H | A | -2.1608 | |
| 724 | K | A | -2.7216 | |
| 725 | A | A | -1.9135 | |
| 726 | K | A | -3.2742 | |
| 727 | E | A | -3.9096 | |
| 728 | R | A | -4.3047 | |
| 729 | L | A | -2.4187 | |
| 730 | Q | A | -3.9346 | |
| 731 | E | A | -4.5704 | |
| 732 | E | A | -3.8909 | |
| 733 | D | A | -4.3235 | |
| 734 | K | A | -4.1896 | |
| 735 | F | A | -2.3032 | |
| 736 | D | A | -4.0397 | |
| 737 | K | A | -4.0415 | |
| 738 | E | A | -3.8836 | |
| 739 | E | A | -3.8653 | |
| 740 | Y | A | -2.4087 | |
| 741 | R | A | -4.1082 | |
| 742 | K | A | -4.6793 | |
| 743 | K | A | -4.0243 | |
| 744 | I | A | -3.1409 | |
| 745 | K | A | -4.0304 | |
| 746 | A | A | -3.8826 | |
| 747 | K | A | -4.1961 | |
| 748 | H | A | -3.9482 | |
| 749 | R | A | -4.7360 | |
| 750 | E | A | -4.8629 | |
| 751 | K | A | -5.0600 | |
| 752 | R | A | -4.4293 | |
| 753 | L | A | -3.3473 | |
| 754 | K | A | -4.8410 | |
| 755 | E | A | -5.1545 | |
| 756 | R | A | -4.8619 | |
| 757 | E | A | -5.2264 | |
| 758 | A | A | -4.4610 | |
| 759 | R | A | -5.4708 | |
| 760 | R | A | -6.1274 | |
| 761 | E | A | -5.5559 | |
| 762 | A | A | -4.4688 | |
| 763 | N | A | -5.1014 | |
| 764 | K | A | -5.2339 | |
| 765 | R | A | -5.3557 | |
| 766 | Q | A | -4.7262 | |
| 767 | A | A | -4.3379 | |
| 768 | K | A | -5.0804 | |
| 769 | A | A | -4.6080 | |
| 770 | K | A | -5.2235 | |
| 771 | D | A | -5.1688 | |
| 772 | E | A | -4.4715 | |
| 773 | E | A | -3.9942 | |
| 774 | E | A | -3.6325 | |
| 775 | A | A | -1.6139 | |
| 776 | F | A | 0.6646 | |
| 777 | L | A | 0.8556 | |
| 778 | D | A | -0.4753 | |
| 779 | W | A | 0.3974 | |
| 780 | S | A | -1.2583 | |
| 781 | D | A | -3.2289 | |
| 782 | D | A | -3.9119 | |
| 783 | D | A | -4.4385 | |
| 784 | D | A | -4.5038 | |
| 785 | D | A | -4.2047 | |
| 786 | D | A | -4.3559 | |
| 787 | D | A | -4.1103 | |
| 788 | D | A | -2.8711 | |
| 789 | G | A | -1.1510 | |
| 790 | F | A | 0.4297 | |
| 791 | D | A | -0.9950 | |
| 792 | P | A | -0.4138 | |
| 793 | S | A | -0.2745 | |
| 794 | T | A | -0.0979 | |
| 795 | L | A | 0.6820 | |
| 796 | P | A | -0.4842 | |
| 797 | D | A | -2.3092 | |
| 798 | P | A | -2.2464 | |
| 799 | D | A | -2.8209 | |
| 800 | K | A | -2.6070 | |
| 801 | Y | A | -0.9018 | |
| 802 | R | A | -1.7538 | |
| 803 | S | A | -1.4097 | |
| 804 | S | A | -1.9800 | |
| 805 | E | A | -3.0144 | |
| 806 | D | A | -3.3315 | |
| 807 | S | A | -2.4573 | |
| 808 | D | A | -2.7436 | |
| 809 | S | A | -2.5062 | |
| 810 | E | A | -3.2810 | |
| 811 | D | A | -2.7776 | |
| 812 | M | A | -1.6593 | |
| 813 | E | A | -2.7913 | |
| 814 | N | A | -2.4154 | |
| 815 | K | A | -1.7735 | |
| 816 | I | A | 0.4539 | |
| 817 | S | A | -0.3394 | |
| 818 | D | A | -1.9065 | |
| 819 | T | A | -2.3033 | |
| 820 | K | A | -3.3942 | |
| 821 | K | A | -3.7331 | |
| 822 | K | A | -3.6801 | |
| 823 | Q | A | -2.3775 | |
| 824 | G | A | -1.5716 | |
| 825 | M | A | -1.0221 | |
| 826 | K | A | -2.5600 | |
| 827 | K | A | -3.3255 | |
| 828 | R | A | -3.3060 | |
| 829 | S | A | -2.1282 | |
| 830 | N | A | -2.0943 | |
| 831 | S | A | -1.5108 | |
| 832 | E | A | -1.6719 | |
| 833 | V | A | -0.6347 | |
| 834 | E | A | -2.0028 | |
| 835 | D | A | -1.6799 | |
| 836 | V | A | 0.2846 | |
| 837 | G | A | -0.1555 | |
| 838 | P | A | -0.2105 | |
| 839 | T | A | -0.6297 | |
| 840 | S | A | -1.0984 | |
| 841 | H | A | -2.1699 | |
| 842 | N | A | -3.0799 | |
| 843 | R | A | -3.9004 | |
| 844 | K | A | -3.8797 | |
| 845 | K | A | -3.2237 | |
| 846 | A | A | -2.1319 | |
| 847 | R | A | -2.2967 | |
| 848 | W | A | -0.5993 | |
| 849 | D | A | -1.5288 | |
| 850 | T | A | -0.5977 | |
| 851 | L | A | 0.4880 | |
| 852 | E | A | -1.2517 | |
| 853 | P | A | -0.4893 | |
| 854 | L | A | 0.2567 | |
| 855 | D | A | -1.4173 | |
| 856 | T | A | -0.5626 | |
| 857 | G | A | -0.4985 | |
| 858 | L | A | -0.0328 | |
| 859 | S | A | -0.3759 | |
| 860 | L | A | 0.3486 | |
| 861 | A | A | -0.8860 | |
| 862 | E | A | -1.9072 | |
| 863 | D | A | -1.5484 | |
| 864 | E | A | -2.0821 | |
| 865 | E | A | -2.1342 | |
| 866 | L | A | -0.2109 | |
| 867 | V | A | 0.5478 | |
| 868 | L | A | -0.0056 | |
| 869 | H | A | -0.6186 | |
| 870 | L | A | 0.9454 | |
| 871 | L | A | 0.9051 | |
| 872 | R | A | -1.1802 | |
| 873 | S | A | -0.8314 | |
| 874 | Q | A | -1.3153 | |
| 875 | S | A | -0.9159 |
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 | -1.4723 | 5.487 | View | CSV | PDB |
| 4.5 | -1.5846 | 5.1795 | View | CSV | PDB |
| 5.0 | -1.7266 | 4.7518 | View | CSV | PDB |
| 5.5 | -1.8681 | 4.7194 | View | CSV | PDB |
| 6.0 | -1.9752 | 4.6959 | View | CSV | PDB |
| 6.5 | -2.0234 | 4.6695 | View | CSV | PDB |
| 7.0 | -2.0102 | 4.6308 | View | CSV | PDB |
| 7.5 | -1.953 | 4.5826 | View | CSV | PDB |
| 8.0 | -1.8711 | 4.5314 | View | CSV | PDB |
| 8.5 | -1.7733 | 4.4836 | View | CSV | PDB |
| 9.0 | -1.6607 | 4.4464 | 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