| Chain sequence(s) |
A: MAKTPSDHLLSTLEELVPYDFEKFKFKLQNTSVQKEHSRIPRSQIQRARPVKMATLLVTYYGEEYAVQLTLQVLRAINQRLLAEELHRAAIQEYSTQENGTDDSAASSSLGENKPRSLKTPDHPEGNEGNGPRPYGGGAASLRCSQPEAGRGLSRKPLSKRREKASEGLDAQGKPRTRSPALPGGRSPGPCRALEGGQAEVRLRRNASSAGRLQGLAGGAPGQKECRPFEVYLPSGKMRPRSLEVTISTGEKAPANPEILLTLEEKTAANLDSATEPRARPTPDGGASADLKEGPGNPEHSVTGRPPDTAASPRCHAQEGDPVDGTCVRDSCSFPEAVSGHPQASGSRSPGCPRCQDSHERKSPGSLSPQPLPQCKRHLKQVQLLFCEDHDEPICLICSLSQEHQGHRVRPIEEVALEHKKKIQKQLEHLKKLRKSGEEQRSYGEEKAVSFLKQTEALKQRVQRKLEQVYYFLEQQEHFFVASLEDVGQMVGQIRKAYDTRVSQDIALLDALIGELEAKECQSEWELLQDIGDILHRAKTVPVPEKWTTPQEIKQKIQLLHQKSEFVEKSTKYFSETLRSEMEMFNVPELIGAQAHAVNVILDAETAYPNLIFSDDLKSVRLGNKWERLPDGPQRFDSCIIVLGSPSFLSGRRYWEVEVGDKTAWILGACKTSISRKGNMTLSPENGYWVVIMMKENEYQASSVPPTRLLIKEPPKRVGIFVDYRVGSISFYNVTARSHIYTFASCSFSGPLQPIFSPGTRDGGKNTAPLTICPVGGQGPD
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | EK418A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.30631 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] FoldX: Building mutant model (00:05:35)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a427d02b141fd91/tmp/folded.pdb (00:06:53)
[INFO] Main: Simulation completed successfully. (00:10:06)
|
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 | 1.0642 | |
| 2 | A | A | -0.0562 | |
| 3 | K | A | -1.6945 | |
| 4 | T | A | -0.3475 | |
| 5 | P | A | -0.0784 | |
| 6 | S | A | -0.2401 | |
| 7 | D | A | -0.9289 | |
| 8 | H | A | -0.2979 | |
| 9 | L | A | 0.0000 | |
| 10 | L | A | 0.2928 | |
| 11 | S | A | -0.1023 | |
| 12 | T | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | E | A | -1.9476 | |
| 15 | E | A | -2.1095 | |
| 16 | L | A | 0.0000 | |
| 17 | V | A | 0.9596 | |
| 18 | P | A | 0.1588 | |
| 19 | Y | A | 1.2695 | |
| 20 | D | A | 0.0000 | |
| 21 | F | A | 0.0000 | |
| 22 | E | A | -1.2452 | |
| 23 | K | A | -0.7017 | |
| 24 | F | A | 0.0000 | |
| 25 | K | A | 0.0000 | |
| 26 | F | A | 1.2335 | |
| 27 | K | A | -0.5080 | |
| 28 | L | A | 0.0000 | |
| 29 | Q | A | -0.3471 | |
| 30 | N | A | -1.2959 | |
| 31 | T | A | -0.2725 | |
| 32 | S | A | -0.1526 | |
| 33 | V | A | 0.0878 | |
| 34 | Q | A | -1.4397 | |
| 35 | K | A | -2.2408 | |
| 36 | E | A | -2.1820 | |
| 37 | H | A | -0.6793 | |
| 38 | S | A | -0.5982 | |
| 39 | R | A | -1.8632 | |
| 40 | I | A | 0.0000 | |
| 41 | P | A | -0.4599 | |
| 42 | R | A | -1.8993 | |
| 43 | S | A | -0.6464 | |
| 44 | Q | A | -0.7976 | |
| 45 | I | A | 0.0000 | |
| 46 | Q | A | -1.1091 | |
| 47 | R | A | -1.9829 | |
| 48 | A | A | 0.0000 | |
| 49 | R | A | -1.8498 | |
| 50 | P | A | -0.1833 | |
| 51 | V | A | 0.6940 | |
| 52 | K | A | -1.2876 | |
| 53 | M | A | 0.0000 | |
| 54 | A | A | 0.0000 | |
| 55 | T | A | 0.0021 | |
| 56 | L | A | 0.1525 | |
| 57 | L | A | 0.0000 | |
| 58 | V | A | 0.2391 | |
| 59 | T | A | 0.0323 | |
| 60 | Y | A | 0.2900 | |
| 61 | Y | A | 0.0000 | |
| 62 | G | A | -0.3654 | |
| 63 | E | A | -1.4066 | |
| 64 | E | A | -1.9777 | |
| 65 | Y | A | -0.3021 | |
| 66 | A | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | Q | A | -1.1814 | |
| 69 | L | A | 0.0000 | |
| 70 | T | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | Q | A | -0.9578 | |
| 73 | V | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | R | A | -1.3415 | |
| 76 | A | A | -0.1955 | |
| 77 | I | A | 0.0000 | |
| 78 | N | A | -1.4549 | |
| 79 | Q | A | -0.8823 | |
| 80 | R | A | -1.7025 | |
| 81 | L | A | 0.8152 | |
| 82 | L | A | 0.2792 | |
| 83 | A | A | 0.0000 | |
| 84 | E | A | -1.3843 | |
| 85 | E | A | -1.1145 | |
| 86 | L | A | 0.0000 | |
| 87 | H | A | -0.9485 | |
| 88 | R | A | -1.9315 | |
| 89 | A | A | -0.3228 | |
| 90 | A | A | 0.2807 | |
| 91 | I | A | 1.3218 | |
| 92 | Q | A | -1.1337 | |
| 93 | E | A | -1.1558 | |
| 94 | Y | A | 1.0460 | |
| 95 | S | A | 0.0616 | |
| 96 | T | A | -0.3103 | |
| 97 | Q | A | -1.5314 | |
| 98 | E | A | -2.2593 | |
| 99 | N | A | -1.6842 | |
| 100 | G | A | -0.7102 | |
| 101 | T | A | -0.5088 | |
| 102 | D | A | -2.1271 | |
| 103 | D | A | -2.1558 | |
| 104 | S | A | -0.5615 | |
| 105 | A | A | 0.0307 | |
| 106 | A | A | 0.0310 | |
| 107 | S | A | -0.2455 | |
| 108 | S | A | -0.2954 | |
| 109 | S | A | 0.0300 | |
| 110 | L | A | 1.4246 | |
| 111 | G | A | -0.5206 | |
| 112 | E | A | -2.1400 | |
| 113 | N | A | -1.9154 | |
| 114 | K | A | -1.9758 | |
| 115 | P | A | -0.9131 | |
| 116 | R | A | -1.9434 | |
| 117 | S | A | -0.3697 | |
| 118 | L | A | 1.2025 | |
| 119 | K | A | -1.4341 | |
| 120 | T | A | -0.4313 | |
| 121 | P | A | -0.5944 | |
| 122 | D | A | -2.0363 | |
| 123 | H | A | -1.3971 | |
| 124 | P | A | -0.7630 | |
| 125 | E | A | -1.9508 | |
| 126 | G | A | -1.0226 | |
| 127 | N | A | -1.6803 | |
| 128 | E | A | -2.1299 | |
| 129 | G | A | -1.0188 | |
| 130 | N | A | -1.4400 | |
| 131 | G | A | -0.7404 | |
| 132 | P | A | -0.6878 | |
| 133 | R | A | -1.9371 | |
| 134 | P | A | -0.3437 | |
| 135 | Y | A | 1.1542 | |
| 136 | G | A | -0.2203 | |
| 137 | G | A | -0.6701 | |
| 138 | G | A | -0.5789 | |
| 139 | A | A | -0.0079 | |
| 140 | A | A | 0.0360 | |
| 141 | S | A | 0.0752 | |
| 142 | L | A | 1.1752 | |
| 143 | R | A | -1.4242 | |
| 144 | C | A | 0.3274 | |
| 145 | S | A | -0.2455 | |
| 146 | Q | A | -1.2839 | |
| 147 | P | A | -0.8084 | |
| 148 | E | A | -1.8556 | |
| 149 | A | A | -0.3526 | |
| 150 | G | A | -0.7822 | |
| 151 | R | A | -2.0100 | |
| 152 | G | A | -0.4502 | |
| 153 | L | A | 1.4049 | |
| 154 | S | A | -0.2718 | |
| 155 | R | A | -2.1905 | |
| 156 | K | A | -2.0787 | |
| 157 | P | A | -0.2694 | |
| 158 | L | A | 1.4597 | |
| 159 | S | A | -0.2245 | |
| 160 | K | A | -2.2026 | |
| 161 | R | A | -2.6027 | |
| 162 | R | A | -2.5746 | |
| 163 | E | A | -2.6320 | |
| 164 | K | A | -2.1233 | |
| 165 | A | A | -0.3512 | |
| 166 | S | A | -0.5211 | |
| 167 | E | A | -1.9755 | |
| 168 | G | A | -0.6567 | |
| 169 | L | A | 1.0458 | |
| 170 | D | A | -1.4151 | |
| 171 | A | A | -0.5088 | |
| 172 | Q | A | -1.2686 | |
| 173 | G | A | -0.9749 | |
| 174 | K | A | -1.8271 | |
| 175 | P | A | -0.9042 | |
| 176 | R | A | -1.9051 | |
| 177 | T | A | -0.7791 | |
| 178 | R | A | -1.8957 | |
| 179 | S | A | -0.5919 | |
| 180 | P | A | -0.2842 | |
| 181 | A | A | 0.2747 | |
| 182 | L | A | 1.5028 | |
| 183 | P | A | -0.0399 | |
| 184 | G | A | -0.6158 | |
| 185 | G | A | -0.8855 | |
| 186 | R | A | -1.9685 | |
| 187 | S | A | -0.6025 | |
| 188 | P | A | -0.4125 | |
| 189 | G | A | -0.5757 | |
| 190 | P | A | -0.2051 | |
| 191 | C | A | 0.3576 | |
| 192 | R | A | -1.7002 | |
| 193 | A | A | -0.1003 | |
| 194 | L | A | 1.1612 | |
| 195 | E | A | -1.5652 | |
| 196 | G | A | -0.9103 | |
| 197 | G | A | -0.7999 | |
| 198 | Q | A | -1.2701 | |
| 199 | A | A | -0.4925 | |
| 200 | E | A | -1.4899 | |
| 201 | V | A | 1.1068 | |
| 202 | R | A | -1.2396 | |
| 203 | L | A | 0.8817 | |
| 204 | R | A | -1.9031 | |
| 205 | R | A | -2.4155 | |
| 206 | N | A | -1.6000 | |
| 207 | A | A | -0.2090 | |
| 208 | S | A | -0.2544 | |
| 209 | S | A | -0.2519 | |
| 210 | A | A | -0.0703 | |
| 211 | G | A | -0.9215 | |
| 212 | R | A | -1.6960 | |
| 213 | L | A | 0.9605 | |
| 214 | Q | A | -0.9709 | |
| 215 | G | A | -0.5112 | |
| 216 | L | A | 1.4814 | |
| 217 | A | A | 0.3666 | |
| 218 | G | A | -0.5794 | |
| 219 | G | A | -0.5793 | |
| 220 | A | A | -0.0692 | |
| 221 | P | A | -0.3289 | |
| 222 | G | A | -0.7285 | |
| 223 | Q | A | -1.5953 | |
| 224 | K | A | -2.2564 | |
| 225 | E | A | -1.9994 | |
| 226 | C | A | 0.0611 | |
| 227 | R | A | -1.7562 | |
| 228 | P | A | -0.2342 | |
| 229 | F | A | 1.5642 | |
| 230 | E | A | -1.1433 | |
| 231 | V | A | 1.6807 | |
| 232 | Y | A | 1.9163 | |
| 233 | L | A | 1.7379 | |
| 234 | P | A | -0.0179 | |
| 235 | S | A | -0.3465 | |
| 236 | G | A | -0.8202 | |
| 237 | K | A | -1.5957 | |
| 238 | M | A | 0.4367 | |
| 239 | R | A | -1.5110 | |
| 240 | P | A | -0.8866 | |
| 241 | R | A | -1.9294 | |
| 242 | S | A | -0.2709 | |
| 243 | L | A | 1.1712 | |
| 244 | E | A | -1.4044 | |
| 245 | V | A | 0.3614 | |
| 246 | T | A | 0.3670 | |
| 247 | I | A | 1.6606 | |
| 248 | S | A | 0.0884 | |
| 249 | T | A | -0.1939 | |
| 250 | G | A | -0.8077 | |
| 251 | E | A | -2.2165 | |
| 252 | K | A | -2.0239 | |
| 253 | A | A | -0.2961 | |
| 254 | P | A | -0.2340 | |
| 255 | A | A | -0.2238 | |
| 256 | N | A | -1.3063 | |
| 257 | P | A | -0.7902 | |
| 258 | E | A | -1.5054 | |
| 259 | I | A | 1.7425 | |
| 260 | L | A | 0.8584 | |
| 261 | L | A | 1.1547 | |
| 262 | T | A | 0.3494 | |
| 263 | L | A | 0.7912 | |
| 264 | E | A | -1.9031 | |
| 265 | E | A | -2.2628 | |
| 266 | K | A | -2.0015 | |
| 267 | T | A | -0.3545 | |
| 268 | A | A | 0.0582 | |
| 269 | A | A | -0.1550 | |
| 270 | N | A | -0.9874 | |
| 271 | L | A | 0.9850 | |
| 272 | D | A | -1.5377 | |
| 273 | S | A | -0.5309 | |
| 274 | A | A | 0.0069 | |
| 275 | T | A | -0.3878 | |
| 276 | E | A | -1.8779 | |
| 277 | P | A | -0.9084 | |
| 278 | R | A | -1.8791 | |
| 279 | A | A | -0.6152 | |
| 280 | R | A | -1.8810 | |
| 281 | P | A | -0.6125 | |
| 282 | T | A | -0.1616 | |
| 283 | P | A | -0.5969 | |
| 284 | D | A | -1.9563 | |
| 285 | G | A | -1.0090 | |
| 286 | G | A | -0.5331 | |
| 287 | A | A | -0.1013 | |
| 288 | S | A | -0.1886 | |
| 289 | A | A | -0.3906 | |
| 290 | D | A | -1.5122 | |
| 291 | L | A | 0.8784 | |
| 292 | K | A | -1.7953 | |
| 293 | E | A | -2.3181 | |
| 294 | G | A | -0.8997 | |
| 295 | P | A | -0.4179 | |
| 296 | G | A | -0.7340 | |
| 297 | N | A | -1.4163 | |
| 298 | P | A | -0.8961 | |
| 299 | E | A | -2.0433 | |
| 300 | H | A | -1.3685 | |
| 301 | S | A | -0.1496 | |
| 302 | V | A | 1.7220 | |
| 303 | T | A | 0.1788 | |
| 304 | G | A | -0.7990 | |
| 305 | R | A | -1.9699 | |
| 306 | P | A | -0.6250 | |
| 307 | P | A | -0.6278 | |
| 308 | D | A | -1.8488 | |
| 309 | T | A | -0.3799 | |
| 310 | A | A | 0.0562 | |
| 311 | A | A | 0.0307 | |
| 312 | S | A | -0.2577 | |
| 313 | P | A | -0.6388 | |
| 314 | R | A | -1.7563 | |
| 315 | C | A | 0.2077 | |
| 316 | H | A | -0.8428 | |
| 317 | A | A | -0.3351 | |
| 318 | Q | A | -1.6298 | |
| 319 | E | A | -2.1932 | |
| 320 | G | A | -1.1064 | |
| 321 | D | A | -1.9334 | |
| 322 | P | A | -0.3325 | |
| 323 | V | A | 1.3978 | |
| 324 | D | A | -1.5528 | |
| 325 | G | A | -0.8057 | |
| 326 | T | A | -0.0205 | |
| 327 | C | A | 1.0406 | |
| 328 | V | A | 1.5623 | |
| 329 | R | A | -1.8436 | |
| 330 | D | A | -2.1676 | |
| 331 | S | A | -0.4032 | |
| 332 | C | A | 0.6542 | |
| 333 | S | A | 0.2720 | |
| 334 | F | A | 1.8556 | |
| 335 | P | A | -0.2294 | |
| 336 | E | A | -1.8556 | |
| 337 | A | A | 0.0517 | |
| 338 | V | A | 1.7456 | |
| 339 | S | A | 0.0186 | |
| 340 | G | A | -0.6748 | |
| 341 | H | A | -1.1148 | |
| 342 | P | A | -0.6472 | |
| 343 | Q | A | -1.2343 | |
| 344 | A | A | -0.2007 | |
| 345 | S | A | -0.3332 | |
| 346 | G | A | -0.5636 | |
| 347 | S | A | -0.6224 | |
| 348 | R | A | -1.9205 | |
| 349 | S | A | -0.5927 | |
| 350 | P | A | -0.3763 | |
| 351 | G | A | -0.4312 | |
| 352 | C | A | 0.3276 | |
| 353 | P | A | -0.5034 | |
| 354 | R | A | -1.7587 | |
| 355 | C | A | 0.1895 | |
| 356 | Q | A | -1.3843 | |
| 357 | D | A | -2.0386 | |
| 358 | S | A | -0.7099 | |
| 359 | H | A | -1.3501 | |
| 360 | E | A | -2.3255 | |
| 361 | R | A | -2.4773 | |
| 362 | K | A | -2.0712 | |
| 363 | S | A | -0.5644 | |
| 364 | P | A | -0.3770 | |
| 365 | G | A | -0.5505 | |
| 366 | S | A | -0.0031 | |
| 367 | L | A | 1.4684 | |
| 368 | S | A | 0.0250 | |
| 369 | P | A | -0.5112 | |
| 370 | Q | A | -1.2904 | |
| 371 | P | A | -0.3228 | |
| 372 | L | A | 0.7241 | |
| 373 | P | A | -0.2782 | |
| 374 | Q | A | -1.1534 | |
| 375 | C | A | 0.0000 | |
| 376 | K | A | -2.0263 | |
| 377 | R | A | -2.1770 | |
| 378 | H | A | -0.2295 | |
| 379 | L | A | 1.2140 | |
| 380 | K | A | -1.5059 | |
| 381 | Q | A | -0.6400 | |
| 382 | V | A | 0.3715 | |
| 383 | Q | A | 0.0119 | |
| 384 | L | A | 0.5131 | |
| 385 | L | A | 0.3333 | |
| 386 | F | A | 0.0000 | |
| 387 | C | A | 0.0000 | |
| 388 | E | A | -1.0736 | |
| 389 | D | A | -2.0263 | |
| 390 | H | A | -1.2125 | |
| 391 | D | A | -2.0634 | |
| 392 | E | A | -1.3053 | |
| 393 | P | A | -0.2669 | |
| 394 | I | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | L | A | 1.5931 | |
| 397 | I | A | 1.3650 | |
| 398 | C | A | 0.0000 | |
| 399 | S | A | 0.2354 | |
| 400 | L | A | 1.5333 | |
| 401 | S | A | 0.0176 | |
| 402 | Q | A | -1.4896 | |
| 403 | E | A | -1.0760 | |
| 404 | H | A | 0.0000 | |
| 405 | Q | A | -1.4137 | |
| 406 | G | A | -0.7484 | |
| 407 | H | A | -0.7812 | |
| 408 | R | A | -1.8545 | |
| 409 | V | A | -0.0817 | |
| 410 | R | A | -0.2154 | |
| 411 | P | A | -0.0439 | |
| 412 | I | A | 0.1155 | |
| 413 | E | A | -1.8777 | |
| 414 | E | A | -1.3549 | |
| 415 | V | A | 0.0000 | |
| 416 | A | A | 0.2924 | |
| 417 | L | A | 1.2072 | |
| 418 | K | A | -1.1343 | mutated: EK418A |
| 419 | H | A | -1.0998 | |
| 420 | K | A | -2.0073 | |
| 421 | K | A | -2.0595 | |
| 422 | K | A | -1.6199 | |
| 423 | I | A | 1.4944 | |
| 424 | Q | A | -0.9861 | |
| 425 | K | A | -2.0440 | |
| 426 | Q | A | -0.8353 | |
| 427 | L | A | 0.9391 | |
| 428 | E | A | -1.6785 | |
| 429 | H | A | -1.0431 | |
| 430 | L | A | 0.0061 | |
| 431 | K | A | -1.9245 | |
| 432 | K | A | -1.7983 | |
| 433 | L | A | 0.4957 | |
| 434 | R | A | -1.9033 | |
| 435 | K | A | -1.9802 | |
| 436 | S | A | -0.6301 | |
| 437 | G | A | -0.6172 | |
| 438 | E | A | -2.3033 | |
| 439 | E | A | -2.3735 | |
| 440 | Q | A | -1.8541 | |
| 441 | R | A | -2.0973 | |
| 442 | S | A | -0.3425 | |
| 443 | Y | A | 1.0492 | |
| 444 | G | A | -0.3347 | |
| 445 | E | A | -2.1817 | |
| 446 | E | A | -2.2956 | |
| 447 | K | A | -1.1768 | |
| 448 | A | A | -0.0245 | |
| 449 | V | A | 0.5372 | |
| 450 | S | A | 0.2358 | |
| 451 | F | A | 2.0814 | |
| 452 | L | A | 1.5913 | |
| 453 | K | A | -1.6278 | |
| 454 | Q | A | -1.2611 | |
| 455 | T | A | -0.4068 | |
| 456 | E | A | -0.9237 | |
| 457 | A | A | 0.1394 | |
| 458 | L | A | 0.9708 | |
| 459 | K | A | -1.6635 | |
| 460 | Q | A | -1.4905 | |
| 461 | R | A | -1.4968 | |
| 462 | V | A | 1.3660 | |
| 463 | Q | A | -0.4801 | |
| 464 | R | A | -1.8515 | |
| 465 | K | A | -1.8397 | |
| 466 | L | A | 0.2757 | |
| 467 | E | A | -0.6370 | |
| 468 | Q | A | -1.1850 | |
| 469 | V | A | 0.5573 | |
| 470 | Y | A | 1.0378 | |
| 471 | Y | A | 0.6764 | |
| 472 | F | A | 0.8049 | |
| 473 | L | A | 0.9725 | |
| 474 | E | A | -1.7911 | |
| 475 | Q | A | -1.4132 | |
| 476 | Q | A | -0.7953 | |
| 477 | E | A | -2.0486 | |
| 478 | H | A | -0.9711 | |
| 479 | F | A | 1.8041 | |
| 480 | F | A | 0.6943 | |
| 481 | V | A | 0.8733 | |
| 482 | A | A | 0.1624 | |
| 483 | S | A | 0.1658 | |
| 484 | L | A | 0.8268 | |
| 485 | E | A | -1.8716 | |
| 486 | D | A | -1.4267 | |
| 487 | V | A | 0.0000 | |
| 488 | G | A | -0.8770 | |
| 489 | Q | A | -1.2692 | |
| 490 | M | A | 0.0071 | |
| 491 | V | A | 0.5737 | |
| 492 | G | A | -0.3157 | |
| 493 | Q | A | -1.1371 | |
| 494 | I | A | 0.0007 | |
| 495 | R | A | -1.3824 | |
| 496 | K | A | -1.9033 | |
| 497 | A | A | -0.2594 | |
| 498 | Y | A | -0.1405 | |
| 499 | D | A | -1.7706 | |
| 500 | T | A | -0.5931 | |
| 501 | R | A | -1.0934 | |
| 502 | V | A | 0.0329 | |
| 503 | S | A | -0.2512 | |
| 504 | Q | A | -1.2817 | |
| 505 | D | A | -0.2455 | |
| 506 | I | A | 1.1382 | |
| 507 | A | A | 0.0467 | |
| 508 | L | A | 0.6273 | |
| 509 | L | A | 0.1444 | |
| 510 | D | A | -1.7122 | |
| 511 | A | A | -0.2760 | |
| 512 | L | A | 0.0000 | |
| 513 | I | A | 1.4428 | |
| 514 | G | A | -0.1248 | |
| 515 | E | A | -0.5308 | |
| 516 | L | A | 0.0355 | |
| 517 | E | A | -1.7303 | |
| 518 | A | A | -0.3129 | |
| 519 | K | A | -0.4825 | |
| 520 | E | A | -1.7192 | |
| 521 | C | A | 0.3262 | |
| 522 | Q | A | -0.3469 | |
| 523 | S | A | -0.4872 | |
| 524 | E | A | -1.6213 | |
| 525 | W | A | 0.5369 | |
| 526 | E | A | -1.5301 | |
| 527 | L | A | 0.3799 | |
| 528 | L | A | 1.4137 | |
| 529 | Q | A | -1.0880 | |
| 530 | D | A | -1.0657 | |
| 531 | I | A | 0.0896 | |
| 532 | G | A | -0.6763 | |
| 533 | D | A | -1.8298 | |
| 534 | I | A | 0.0000 | |
| 535 | L | A | 0.5223 | |
| 536 | H | A | -1.1763 | |
| 537 | R | A | -0.9542 | |
| 538 | A | A | -0.4282 | |
| 539 | K | A | -1.7102 | |
| 540 | T | A | -0.3092 | |
| 541 | V | A | 0.2979 | |
| 542 | P | A | 0.1335 | |
| 543 | V | A | 1.7174 | |
| 544 | P | A | 0.1273 | |
| 545 | E | A | -1.0719 | |
| 546 | K | A | -1.7994 | |
| 547 | W | A | -0.1132 | |
| 548 | T | A | -0.0377 | |
| 549 | T | A | -0.0454 | |
| 550 | P | A | -0.2646 | |
| 551 | Q | A | -1.5327 | |
| 552 | E | A | -1.9987 | |
| 553 | I | A | -0.3163 | |
| 554 | K | A | -1.2051 | |
| 555 | Q | A | -1.2192 | |
| 556 | K | A | -0.6183 | |
| 557 | I | A | 0.3242 | |
| 558 | Q | A | -0.8517 | |
| 559 | L | A | 1.0818 | |
| 560 | L | A | 0.0000 | |
| 561 | H | A | -1.2108 | |
| 562 | Q | A | -1.4980 | |
| 563 | K | A | -0.9113 | |
| 564 | S | A | -0.6107 | |
| 565 | E | A | -1.5180 | |
| 566 | F | A | 1.4880 | |
| 567 | V | A | 0.4527 | |
| 568 | E | A | -1.7996 | |
| 569 | K | A | -1.9859 | |
| 570 | S | A | -0.3503 | |
| 571 | T | A | -0.3669 | |
| 572 | K | A | -1.5664 | |
| 573 | Y | A | 0.6407 | |
| 574 | F | A | 0.9518 | |
| 575 | S | A | -0.2811 | |
| 576 | E | A | -1.8436 | |
| 577 | T | A | -0.0774 | |
| 578 | L | A | 1.2116 | |
| 579 | R | A | -1.5326 | |
| 580 | S | A | -0.9159 | |
| 581 | E | A | -1.7358 | |
| 582 | M | A | 0.0215 | |
| 583 | E | A | -0.5494 | |
| 584 | M | A | 0.5806 | |
| 585 | F | A | 1.7788 | |
| 586 | N | A | -0.8947 | |
| 587 | V | A | -0.0488 | |
| 588 | P | A | -0.3364 | |
| 589 | E | A | -1.8261 | |
| 590 | L | A | 0.0000 | |
| 591 | I | A | 1.9733 | |
| 592 | G | A | 0.2274 | |
| 593 | A | A | 0.0000 | |
| 594 | Q | A | 0.0746 | |
| 595 | A | A | -0.0411 | |
| 596 | H | A | -0.4024 | |
| 597 | A | A | -0.0111 | |
| 598 | V | A | 0.1602 | |
| 599 | N | A | -0.6390 | |
| 600 | V | A | 0.0000 | |
| 601 | I | A | 0.6739 | |
| 602 | L | A | 0.0000 | |
| 603 | D | A | -0.4836 | |
| 604 | A | A | -0.3936 | |
| 605 | E | A | -1.8171 | |
| 606 | T | A | 0.0000 | |
| 607 | A | A | 0.0000 | |
| 608 | Y | A | 0.2121 | |
| 609 | P | A | 0.0121 | |
| 610 | N | A | 0.0000 | |
| 611 | L | A | 0.0000 | |
| 612 | I | A | 0.3698 | |
| 613 | F | A | 0.3671 | |
| 614 | S | A | -0.3280 | |
| 615 | D | A | -2.1187 | |
| 616 | D | A | -2.0259 | |
| 617 | L | A | 0.0837 | |
| 618 | K | A | -0.2438 | |
| 619 | S | A | -0.0906 | |
| 620 | V | A | 0.0000 | |
| 621 | R | A | -0.6701 | |
| 622 | L | A | 0.0310 | |
| 623 | G | A | 0.0000 | |
| 624 | N | A | -0.8391 | |
| 625 | K | A | -1.5840 | |
| 626 | W | A | 0.7731 | |
| 627 | E | A | -0.7385 | |
| 628 | R | A | -1.8895 | |
| 629 | L | A | -0.0161 | |
| 630 | P | A | -0.5140 | |
| 631 | D | A | -1.8532 | |
| 632 | G | A | -0.4668 | |
| 633 | P | A | -0.3719 | |
| 634 | Q | A | -0.6026 | |
| 635 | R | A | 0.0000 | |
| 636 | F | A | 0.0000 | |
| 637 | D | A | -1.3417 | |
| 638 | S | A | -0.3966 | |
| 639 | C | A | 0.1789 | |
| 640 | I | A | 0.5786 | |
| 641 | I | A | 0.0000 | |
| 642 | V | A | 0.0000 | |
| 643 | L | A | 0.0000 | |
| 644 | G | A | 0.0000 | |
| 645 | S | A | -0.1185 | |
| 646 | P | A | -0.2096 | |
| 647 | S | A | -0.1714 | |
| 648 | F | A | 0.0000 | |
| 649 | L | A | 1.5079 | |
| 650 | S | A | 0.0772 | |
| 651 | G | A | -0.2155 | |
| 652 | R | A | -0.6188 | |
| 653 | R | A | -0.6810 | |
| 654 | Y | A | 0.0000 | |
| 655 | W | A | 0.0000 | |
| 656 | E | A | 0.0000 | |
| 657 | V | A | 0.0000 | |
| 658 | E | A | -0.7054 | |
| 659 | V | A | 0.0000 | |
| 660 | G | A | -0.6179 | |
| 661 | D | A | -1.8149 | |
| 662 | K | A | 0.0000 | |
| 663 | T | A | -0.1825 | |
| 664 | A | A | 0.0056 | |
| 665 | W | A | 0.0000 | |
| 666 | I | A | 0.2280 | |
| 667 | L | A | 0.0000 | |
| 668 | G | A | 0.0000 | |
| 669 | A | A | 0.0000 | |
| 670 | C | A | 0.0000 | |
| 671 | K | A | -0.2901 | |
| 672 | T | A | -0.1106 | |
| 673 | S | A | -0.2167 | |
| 674 | I | A | 0.0000 | |
| 675 | S | A | -0.2797 | |
| 676 | R | A | -0.7129 | |
| 677 | K | A | -1.8344 | |
| 678 | G | A | -0.9165 | |
| 679 | N | A | -1.3036 | |
| 680 | M | A | -0.0400 | |
| 681 | T | A | 0.0231 | |
| 682 | L | A | 0.2982 | |
| 683 | S | A | 0.0000 | |
| 684 | P | A | -0.3780 | |
| 685 | E | A | -2.0138 | |
| 686 | N | A | -1.3513 | |
| 687 | G | A | 0.0000 | |
| 688 | Y | A | 0.0000 | |
| 689 | W | A | 0.0000 | |
| 690 | V | A | 0.0000 | |
| 691 | V | A | 0.0000 | |
| 692 | I | A | 0.0000 | |
| 693 | M | A | 0.0000 | |
| 694 | M | A | 0.4419 | |
| 695 | K | A | -1.8948 | |
| 696 | E | A | -2.3298 | |
| 697 | N | A | -1.5509 | |
| 698 | E | A | -0.6624 | |
| 699 | Y | A | 0.0000 | |
| 700 | Q | A | -0.3330 | |
| 701 | A | A | 0.0000 | |
| 702 | S | A | 0.0000 | |
| 703 | S | A | 0.2575 | |
| 704 | V | A | 1.6716 | |
| 705 | P | A | 0.1895 | |
| 706 | P | A | -0.1283 | |
| 707 | T | A | -0.2332 | |
| 708 | R | A | -0.9056 | |
| 709 | L | A | 0.0000 | |
| 710 | L | A | 1.5844 | |
| 711 | I | A | 0.1809 | |
| 712 | K | A | -1.9042 | |
| 713 | E | A | -1.6589 | |
| 714 | P | A | -0.3541 | |
| 715 | P | A | 0.0000 | |
| 716 | K | A | -1.1453 | |
| 717 | R | A | -0.6769 | |
| 718 | V | A | 0.0000 | |
| 719 | G | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | F | A | 0.0000 | |
| 722 | V | A | 0.0000 | |
| 723 | D | A | 0.0000 | |
| 724 | Y | A | -0.1079 | |
| 725 | R | A | -1.5391 | |
| 726 | V | A | 1.1640 | |
| 727 | G | A | 0.0000 | |
| 728 | S | A | -0.0198 | |
| 729 | I | A | 0.0000 | |
| 730 | S | A | 0.0000 | |
| 731 | F | A | 0.0000 | |
| 732 | Y | A | 0.0000 | |
| 733 | N | A | 0.0000 | |
| 734 | V | A | 0.0000 | |
| 735 | T | A | -0.0372 | |
| 736 | A | A | -0.3143 | |
| 737 | R | A | -1.8570 | |
| 738 | S | A | -0.4597 | |
| 739 | H | A | -0.1984 | |
| 740 | I | A | 0.2143 | |
| 741 | Y | A | 0.1946 | |
| 742 | T | A | 0.0206 | |
| 743 | F | A | 0.0000 | |
| 744 | A | A | -0.0244 | |
| 745 | S | A | -0.1850 | |
| 746 | C | A | 0.0632 | |
| 747 | S | A | -0.1505 | |
| 748 | F | A | 0.1311 | |
| 749 | S | A | -0.1972 | |
| 750 | G | A | -0.1703 | |
| 751 | P | A | 0.1139 | |
| 752 | L | A | 0.0000 | |
| 753 | Q | A | 0.0000 | |
| 754 | P | A | 0.0000 | |
| 755 | I | A | 0.0000 | |
| 756 | F | A | 0.0000 | |
| 757 | S | A | 0.0000 | |
| 758 | P | A | 0.0000 | |
| 759 | G | A | -0.0682 | |
| 760 | T | A | -0.2205 | |
| 761 | R | A | -0.9128 | |
| 762 | D | A | -0.8589 | |
| 763 | G | A | -0.6584 | |
| 764 | G | A | -0.8241 | |
| 765 | K | A | -1.7780 | |
| 766 | N | A | 0.0000 | |
| 767 | T | A | -0.0170 | |
| 768 | A | A | 0.0117 | |
| 769 | P | A | -0.2057 | |
| 770 | L | A | 0.0000 | |
| 771 | T | A | -0.0252 | |
| 772 | I | A | 0.0000 | |
| 773 | C | A | 0.0471 | |
| 774 | P | A | -0.2068 | |
| 775 | V | A | 0.0433 | |
| 776 | G | A | -0.5187 | |
| 777 | G | A | -0.6208 | |
| 778 | Q | A | -0.5583 | |
| 779 | G | A | -0.5838 | |
| 780 | P | A | -0.6634 | |
| 781 | D | A | -1.8354 |
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 | -0.372 | 4.3501 | View | CSV | PDB |
| 4.5 | -0.4102 | 4.3337 | View | CSV | PDB |
| 5.0 | -0.4586 | 4.3337 | View | CSV | PDB |
| 5.5 | -0.5073 | 4.3337 | View | CSV | PDB |
| 6.0 | -0.5462 | 4.3337 | View | CSV | PDB |
| 6.5 | -0.5686 | 4.3337 | View | CSV | PDB |
| 7.0 | -0.5734 | 4.3337 | View | CSV | PDB |
| 7.5 | -0.5654 | 4.3337 | View | CSV | PDB |
| 8.0 | -0.5502 | 4.3337 | View | CSV | PDB |
| 8.5 | -0.5305 | 4.3337 | View | CSV | PDB |
| 9.0 | -0.5068 | 4.3337 | 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