| Chain sequence(s) |
A: METLESELTCPICLELFEDPLLLPCAHSLCFNCAHRILVSHCATNESVESITAFQCPTCRHVITLSQRGLDGLKRNVTLQNIIDRFQKASVSGPNSPSETRRERAFDANTMTSAEKVLCQFCDQDPAQDAVKTCVTCEVSYCDECLKATHPNKKPFTGHRLIEPIPDSHIRGLMCLEHEDEKVNMYCVTDDQLICALCKLVGRHRDHQVAALSERYDKLKQNLESNLTNLIKRNTELETLLAKLIQTCQHVEVNASRQEAKLTEECDLLIEIIQQRRQIIGTKIKEGKVMRLRKLAQQIANCKQCIERSASLISQAEHSLKENDHARFLQTAKNITERVSMATASSQVLIPEINLNDTFDTFALDFSREKKLLECLDYLTAPNPPTIREELCTASYDTITVHWTSDDEFSVVSYELQYTIFTGQANVVSLCNSADSWMIVPNIKQNHYTVHGLQSGTKYIFMVKAINQAGSRSSEPGKLKTNSQPFKLDPKSAHRKLKVSHDNLTVERDESSSKKSHTPERFTSQGSYGVAGNVFIDSGRHYWEVVISGSTWYAIGLAYKSAPKHEWIGKNSASWALCRCNNNWVVRHNSKEIPIEPAPHLRRVGILLDYDNGSIAFYDALNSIHLYTFDVAFAQPVCPTFTVWNKCLTIITGLPIPDHLDCTEQLP
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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d2ba22b569d4bdb/tmp/folded.pdb (00:09:48)
[INFO] Main: Simulation completed successfully. (00:16:00)
|
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 | 0.0780 | |
| 2 | E | A | -1.7719 | |
| 3 | T | A | -1.0560 | |
| 4 | L | A | -0.7827 | |
| 5 | E | A | -1.9672 | |
| 6 | S | A | -1.7018 | |
| 7 | E | A | -2.2874 | |
| 8 | L | A | 0.0000 | |
| 9 | T | A | -0.9297 | |
| 10 | C | A | 0.0000 | |
| 11 | P | A | 0.4474 | |
| 12 | I | A | 1.1759 | |
| 13 | C | A | 0.8454 | |
| 14 | L | A | 1.1862 | |
| 15 | E | A | -1.1278 | |
| 16 | L | A | -1.4288 | |
| 17 | F | A | 0.0000 | |
| 18 | E | A | -2.4090 | |
| 19 | D | A | -1.6041 | |
| 20 | P | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | L | A | -0.5934 | |
| 23 | L | A | 0.0000 | |
| 24 | P | A | -0.2205 | |
| 25 | C | A | -0.1106 | |
| 26 | A | A | -0.0074 | |
| 27 | H | A | -0.2624 | |
| 28 | S | A | -0.3431 | |
| 29 | L | A | 0.0000 | |
| 30 | C | A | 0.0000 | |
| 31 | F | A | -1.5806 | |
| 32 | N | A | -1.6407 | |
| 33 | C | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | H | A | -1.4392 | |
| 36 | R | A | -1.8674 | |
| 37 | I | A | -0.8821 | |
| 38 | L | A | -0.2865 | |
| 39 | V | A | 0.4543 | |
| 40 | S | A | -0.6070 | |
| 41 | H | A | -0.7456 | |
| 42 | C | A | -0.6554 | |
| 43 | A | A | -0.5063 | |
| 44 | T | A | -1.3737 | |
| 45 | N | A | -1.9618 | |
| 46 | E | A | -2.4357 | |
| 47 | S | A | -1.0552 | |
| 48 | V | A | 0.3969 | |
| 49 | E | A | -1.6479 | |
| 50 | S | A | -0.8688 | |
| 51 | I | A | -0.1587 | |
| 52 | T | A | -0.6299 | |
| 53 | A | A | 0.1202 | |
| 54 | F | A | 0.0000 | |
| 55 | Q | A | -1.2274 | |
| 56 | C | A | 0.0000 | |
| 57 | P | A | -0.6281 | |
| 58 | T | A | -0.6393 | |
| 59 | C | A | -0.7535 | |
| 60 | R | A | -1.9906 | |
| 61 | H | A | -1.0996 | |
| 62 | V | A | 0.4483 | |
| 63 | I | A | 0.0000 | |
| 64 | T | A | 0.0913 | |
| 65 | L | A | 0.0000 | |
| 66 | S | A | -1.7849 | |
| 67 | Q | A | -2.7471 | |
| 68 | R | A | -3.4430 | |
| 69 | G | A | -2.4383 | |
| 70 | L | A | 0.0000 | |
| 71 | D | A | -3.2352 | |
| 72 | G | A | -2.7926 | |
| 73 | L | A | -2.0868 | |
| 74 | K | A | -2.5559 | |
| 75 | R | A | -2.2956 | |
| 76 | N | A | -0.6844 | |
| 77 | V | A | 0.8096 | |
| 78 | T | A | 0.5180 | |
| 79 | L | A | -0.0017 | |
| 80 | Q | A | -0.6920 | |
| 81 | N | A | -0.4653 | |
| 82 | I | A | 0.0927 | |
| 83 | I | A | 0.0000 | |
| 84 | D | A | -2.3404 | |
| 85 | R | A | -2.6373 | |
| 86 | F | A | -1.6012 | |
| 87 | Q | A | -2.1444 | |
| 88 | K | A | -2.4280 | |
| 89 | A | A | -1.3543 | |
| 90 | S | A | -0.7469 | |
| 91 | V | A | 0.2336 | |
| 92 | S | A | -0.4321 | |
| 93 | G | A | -0.5819 | |
| 94 | P | A | -0.8995 | |
| 95 | N | A | -1.4515 | |
| 96 | S | A | -1.0872 | |
| 97 | P | A | -1.2365 | |
| 98 | S | A | -1.7039 | |
| 99 | E | A | -2.7163 | |
| 100 | T | A | -2.6881 | |
| 101 | R | A | -3.9436 | |
| 102 | R | A | -4.4272 | |
| 103 | E | A | -3.8896 | |
| 104 | R | A | -3.1202 | |
| 105 | A | A | -1.0332 | |
| 106 | F | A | 0.2049 | |
| 107 | D | A | -1.4544 | |
| 108 | A | A | -0.8696 | |
| 109 | N | A | -1.3800 | |
| 110 | T | A | -0.4978 | |
| 111 | M | A | 0.5640 | |
| 112 | T | A | -0.3189 | |
| 113 | S | A | -1.0491 | |
| 114 | A | A | -1.2312 | |
| 115 | E | A | -2.6010 | |
| 116 | K | A | -2.5244 | |
| 117 | V | A | -1.5603 | |
| 118 | L | A | -0.6438 | |
| 119 | C | A | 0.0000 | |
| 120 | Q | A | -0.6094 | |
| 121 | F | A | 0.7637 | |
| 122 | C | A | -1.2824 | |
| 123 | D | A | -2.4153 | |
| 124 | Q | A | -2.6706 | |
| 125 | D | A | -2.9218 | |
| 126 | P | A | -2.1191 | |
| 127 | A | A | -1.8429 | |
| 128 | Q | A | -2.4797 | |
| 129 | D | A | -2.0933 | |
| 130 | A | A | -1.1181 | |
| 131 | V | A | -0.6871 | |
| 132 | K | A | -0.9314 | |
| 133 | T | A | 0.0000 | |
| 134 | C | A | 0.0000 | |
| 135 | V | A | -0.5169 | |
| 136 | T | A | -0.5708 | |
| 137 | C | A | -0.4379 | |
| 138 | E | A | -1.6729 | |
| 139 | V | A | -0.2689 | |
| 140 | S | A | 0.0000 | |
| 141 | Y | A | 0.0000 | |
| 142 | C | A | 0.0000 | |
| 143 | D | A | -3.1877 | |
| 144 | E | A | -2.9703 | |
| 145 | C | A | -1.7005 | |
| 146 | L | A | 0.0000 | |
| 147 | K | A | -2.9726 | |
| 148 | A | A | -1.6400 | |
| 149 | T | A | -0.5193 | |
| 150 | H | A | -1.5980 | |
| 151 | P | A | -1.9420 | |
| 152 | N | A | -2.7272 | |
| 153 | K | A | -3.1193 | |
| 154 | K | A | -2.8574 | |
| 155 | P | A | -1.7542 | |
| 156 | F | A | -1.2507 | |
| 157 | T | A | -1.6644 | |
| 158 | G | A | -1.4822 | |
| 159 | H | A | -1.0656 | |
| 160 | R | A | -1.5423 | |
| 161 | L | A | -0.7269 | |
| 162 | I | A | -0.6231 | |
| 163 | E | A | -1.4234 | |
| 164 | P | A | -1.0390 | |
| 165 | I | A | -0.7711 | |
| 166 | P | A | -1.3110 | |
| 167 | D | A | -1.8874 | |
| 168 | S | A | -1.3955 | |
| 169 | H | A | -1.5569 | |
| 170 | I | A | -1.5818 | |
| 171 | R | A | -2.7788 | |
| 172 | G | A | -1.2400 | |
| 173 | L | A | 0.4300 | |
| 174 | M | A | -0.9881 | |
| 175 | C | A | 0.0000 | |
| 176 | L | A | 0.1032 | |
| 177 | E | A | -1.9119 | |
| 178 | H | A | -2.1236 | |
| 179 | E | A | -2.8918 | |
| 180 | D | A | -3.3225 | |
| 181 | E | A | -2.3922 | |
| 182 | K | A | -1.8985 | |
| 183 | V | A | 0.0000 | |
| 184 | N | A | -1.0305 | |
| 185 | M | A | -0.4362 | |
| 186 | Y | A | -0.5371 | |
| 187 | C | A | 0.0000 | |
| 188 | V | A | -0.6250 | |
| 189 | T | A | -1.4234 | |
| 190 | D | A | -2.0853 | |
| 191 | D | A | -2.3190 | |
| 192 | Q | A | -1.1913 | |
| 193 | L | A | -0.0098 | |
| 194 | I | A | 0.0000 | |
| 195 | C | A | 0.0000 | |
| 196 | A | A | 0.1883 | |
| 197 | L | A | 0.6432 | |
| 198 | C | A | 0.0000 | |
| 199 | K | A | -0.5926 | |
| 200 | L | A | 1.3841 | |
| 201 | V | A | 1.6987 | |
| 202 | G | A | -0.6426 | |
| 203 | R | A | -2.4055 | |
| 204 | H | A | 0.0000 | |
| 205 | R | A | -2.6979 | |
| 206 | D | A | -3.2625 | |
| 207 | H | A | -2.6106 | |
| 208 | Q | A | -2.0011 | |
| 209 | V | A | -0.8937 | |
| 210 | A | A | -0.3305 | |
| 211 | A | A | -0.3362 | |
| 212 | L | A | -0.7774 | |
| 213 | S | A | -1.3367 | |
| 214 | E | A | -2.1459 | |
| 215 | R | A | -1.9142 | |
| 216 | Y | A | -1.6616 | |
| 217 | D | A | -3.5492 | |
| 218 | K | A | -3.2903 | |
| 219 | L | A | -1.7125 | |
| 220 | K | A | -3.1782 | |
| 221 | Q | A | -3.4669 | |
| 222 | N | A | -2.5973 | |
| 223 | L | A | -0.9958 | |
| 224 | E | A | -2.1084 | |
| 225 | S | A | -1.5460 | |
| 226 | N | A | -1.1847 | |
| 227 | L | A | 0.4726 | |
| 228 | T | A | -0.3323 | |
| 229 | N | A | -0.8115 | |
| 230 | L | A | 0.0970 | |
| 231 | I | A | 0.3158 | |
| 232 | K | A | -2.2076 | |
| 233 | R | A | -2.8563 | |
| 234 | N | A | -2.4709 | |
| 235 | T | A | -2.1896 | |
| 236 | E | A | -2.7096 | |
| 237 | L | A | -1.3789 | |
| 238 | E | A | -2.0098 | |
| 239 | T | A | -1.1633 | |
| 240 | L | A | 0.3487 | |
| 241 | L | A | 1.0710 | |
| 242 | A | A | 0.4843 | |
| 243 | K | A | -0.3473 | |
| 244 | L | A | 1.3102 | |
| 245 | I | A | 2.0721 | |
| 246 | Q | A | 0.0572 | |
| 247 | T | A | 0.3896 | |
| 248 | C | A | 0.7403 | |
| 249 | Q | A | -0.6213 | |
| 250 | H | A | -0.3566 | |
| 251 | V | A | 0.5128 | |
| 252 | E | A | -1.2009 | |
| 253 | V | A | -0.2668 | |
| 254 | N | A | -1.3698 | |
| 255 | A | A | -1.6785 | |
| 256 | S | A | -1.8890 | |
| 257 | R | A | -2.9097 | |
| 258 | Q | A | -3.0400 | |
| 259 | E | A | -3.1102 | |
| 260 | A | A | -2.8882 | |
| 261 | K | A | -3.4013 | |
| 262 | L | A | -2.2017 | |
| 263 | T | A | -2.4100 | |
| 264 | E | A | -3.1070 | |
| 265 | E | A | -2.4630 | |
| 266 | C | A | -0.8587 | |
| 267 | D | A | -1.5996 | |
| 268 | L | A | 0.1529 | |
| 269 | L | A | 0.6429 | |
| 270 | I | A | 0.5216 | |
| 271 | E | A | -0.8990 | |
| 272 | I | A | 0.4638 | |
| 273 | I | A | -0.2256 | |
| 274 | Q | A | -1.5946 | |
| 275 | Q | A | -1.6915 | |
| 276 | R | A | -1.3319 | |
| 277 | R | A | -2.4801 | |
| 278 | Q | A | -1.8573 | |
| 279 | I | A | 0.0500 | |
| 280 | I | A | -0.4409 | |
| 281 | G | A | -1.3786 | |
| 282 | T | A | -1.7651 | |
| 283 | K | A | -2.1649 | |
| 284 | I | A | -1.1926 | |
| 285 | K | A | -2.8846 | |
| 286 | E | A | -2.9328 | |
| 287 | G | A | -1.7925 | |
| 288 | K | A | -1.8799 | |
| 289 | V | A | -0.9207 | |
| 290 | M | A | -0.8228 | |
| 291 | R | A | -1.1462 | |
| 292 | L | A | -0.4191 | |
| 293 | R | A | -1.7533 | |
| 294 | K | A | -1.7103 | |
| 295 | L | A | 0.1096 | |
| 296 | A | A | -0.4724 | |
| 297 | Q | A | -1.7380 | |
| 298 | Q | A | -1.0982 | |
| 299 | I | A | -0.0526 | |
| 300 | A | A | -0.9970 | |
| 301 | N | A | -1.2150 | |
| 302 | C | A | -0.6633 | |
| 303 | K | A | -2.1665 | |
| 304 | Q | A | -2.2857 | |
| 305 | C | A | -1.0294 | |
| 306 | I | A | -0.3209 | |
| 307 | E | A | -2.5565 | |
| 308 | R | A | -2.3526 | |
| 309 | S | A | -0.6293 | |
| 310 | A | A | -0.3279 | |
| 311 | S | A | -0.6370 | |
| 312 | L | A | 0.0000 | |
| 313 | I | A | 0.6170 | |
| 314 | S | A | -0.4090 | |
| 315 | Q | A | -0.6445 | |
| 316 | A | A | -0.5512 | |
| 317 | E | A | -1.5506 | |
| 318 | H | A | -1.8744 | |
| 319 | S | A | -1.1018 | |
| 320 | L | A | -0.4359 | |
| 321 | K | A | -2.2676 | |
| 322 | E | A | -2.5140 | |
| 323 | N | A | -2.5331 | |
| 324 | D | A | -2.3742 | |
| 325 | H | A | -1.9940 | |
| 326 | A | A | -1.5455 | |
| 327 | R | A | -2.4818 | |
| 328 | F | A | -1.3542 | |
| 329 | L | A | -0.9774 | |
| 330 | Q | A | -1.9244 | |
| 331 | T | A | -1.4973 | |
| 332 | A | A | -1.5811 | |
| 333 | K | A | -2.8285 | |
| 334 | N | A | -2.9398 | |
| 335 | I | A | -1.6903 | |
| 336 | T | A | -1.8595 | |
| 337 | E | A | -2.7685 | |
| 338 | R | A | -1.7750 | |
| 339 | V | A | -0.4379 | |
| 340 | S | A | -0.5872 | |
| 341 | M | A | 0.0229 | |
| 342 | A | A | -0.2746 | |
| 343 | T | A | -0.1544 | |
| 344 | A | A | 0.1960 | |
| 345 | S | A | 0.6191 | |
| 346 | S | A | 0.8324 | |
| 347 | Q | A | 0.0416 | |
| 348 | V | A | 1.3672 | |
| 349 | L | A | 0.9828 | |
| 350 | I | A | 1.5285 | |
| 351 | P | A | 0.1636 | |
| 352 | E | A | -0.9938 | |
| 353 | I | A | 0.0250 | |
| 354 | N | A | -1.3241 | |
| 355 | L | A | -0.1668 | |
| 356 | N | A | -1.8678 | |
| 357 | D | A | -2.1103 | |
| 358 | T | A | -1.4898 | |
| 359 | F | A | -0.7699 | |
| 360 | D | A | -1.5207 | |
| 361 | T | A | -0.4074 | |
| 362 | F | A | 0.3789 | |
| 363 | A | A | 0.3530 | |
| 364 | L | A | 0.8405 | |
| 365 | D | A | -1.3206 | |
| 366 | F | A | -1.4093 | |
| 367 | S | A | -2.0896 | |
| 368 | R | A | -3.3153 | |
| 369 | E | A | -2.7729 | |
| 370 | K | A | -3.1427 | |
| 371 | K | A | -2.7045 | |
| 372 | L | A | -0.5883 | |
| 373 | L | A | -0.7615 | |
| 374 | E | A | -1.9333 | |
| 375 | C | A | 0.1092 | |
| 376 | L | A | 1.1816 | |
| 377 | D | A | -0.1015 | |
| 378 | Y | A | 1.5249 | |
| 379 | L | A | 1.3755 | |
| 380 | T | A | 0.1326 | |
| 381 | A | A | -0.3484 | |
| 382 | P | A | 0.0000 | |
| 383 | N | A | -2.3867 | |
| 384 | P | A | -1.8279 | |
| 385 | P | A | 0.0000 | |
| 386 | T | A | -1.3096 | |
| 387 | I | A | -1.3380 | |
| 388 | R | A | -1.7765 | |
| 389 | E | A | -2.4774 | |
| 390 | E | A | -2.2557 | |
| 391 | L | A | -0.5998 | |
| 392 | C | A | -0.7620 | |
| 393 | T | A | -0.3780 | |
| 394 | A | A | -0.1492 | |
| 395 | S | A | -0.3747 | |
| 396 | Y | A | -0.3716 | |
| 397 | D | A | -1.0081 | |
| 398 | T | A | -0.8311 | |
| 399 | I | A | 0.0000 | |
| 400 | T | A | -0.1453 | |
| 401 | V | A | 0.0000 | |
| 402 | H | A | -0.9890 | |
| 403 | W | A | 0.0000 | |
| 404 | T | A | -1.3347 | |
| 405 | S | A | -1.8674 | |
| 406 | D | A | -2.8151 | |
| 407 | D | A | -2.4217 | |
| 408 | E | A | -1.7290 | |
| 409 | F | A | 0.8299 | |
| 410 | S | A | 0.1911 | |
| 411 | V | A | 0.0483 | |
| 412 | V | A | 1.0237 | |
| 413 | S | A | -0.6835 | |
| 414 | Y | A | 0.0000 | |
| 415 | E | A | -0.6646 | |
| 416 | L | A | 0.0000 | |
| 417 | Q | A | 0.4043 | |
| 418 | Y | A | 0.7583 | |
| 419 | T | A | 0.0000 | |
| 420 | I | A | 1.1471 | |
| 421 | F | A | 0.3856 | |
| 422 | T | A | -0.2764 | |
| 423 | G | A | -1.2478 | |
| 424 | Q | A | -1.8477 | |
| 425 | A | A | -0.8340 | |
| 426 | N | A | -0.7398 | |
| 427 | V | A | 0.4632 | |
| 428 | V | A | 1.4157 | |
| 429 | S | A | 0.1469 | |
| 430 | L | A | 0.2175 | |
| 431 | C | A | 0.4456 | |
| 432 | N | A | -0.7524 | |
| 433 | S | A | -0.8332 | |
| 434 | A | A | -0.8513 | |
| 435 | D | A | -1.6920 | |
| 436 | S | A | -0.5410 | |
| 437 | W | A | 0.0000 | |
| 438 | M | A | 1.0689 | |
| 439 | I | A | 0.9640 | |
| 440 | V | A | 0.5120 | |
| 441 | P | A | -0.6572 | |
| 442 | N | A | -1.5831 | |
| 443 | I | A | 0.0000 | |
| 444 | K | A | -2.4225 | |
| 445 | Q | A | -2.3748 | |
| 446 | N | A | -1.5932 | |
| 447 | H | A | -0.9813 | |
| 448 | Y | A | -0.3422 | |
| 449 | T | A | -0.1565 | |
| 450 | V | A | 0.0000 | |
| 451 | H | A | -1.3303 | |
| 452 | G | A | -1.1791 | |
| 453 | L | A | 0.0000 | |
| 454 | Q | A | -0.8897 | |
| 455 | S | A | -0.6986 | |
| 456 | G | A | 0.0000 | |
| 457 | T | A | 0.0000 | |
| 458 | K | A | -0.5410 | |
| 459 | Y | A | 0.0000 | |
| 460 | I | A | 0.0000 | |
| 461 | F | A | 0.0000 | |
| 462 | M | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | K | A | -1.1699 | |
| 465 | A | A | 0.0000 | |
| 466 | I | A | -0.0961 | |
| 467 | N | A | 0.0000 | |
| 468 | Q | A | -0.6412 | |
| 469 | A | A | -0.0021 | |
| 470 | G | A | -0.5224 | |
| 471 | S | A | -0.8578 | |
| 472 | R | A | -1.7221 | |
| 473 | S | A | -1.4318 | |
| 474 | S | A | 0.0000 | |
| 475 | E | A | -2.1166 | |
| 476 | P | A | -0.9977 | |
| 477 | G | A | 0.0000 | |
| 478 | K | A | -1.1896 | |
| 479 | L | A | -0.6813 | |
| 480 | K | A | -0.7476 | |
| 481 | T | A | 0.0000 | |
| 482 | N | A | -0.5060 | |
| 483 | S | A | 0.0000 | |
| 484 | Q | A | -0.2128 | |
| 485 | P | A | -0.4407 | |
| 486 | F | A | 0.0000 | |
| 487 | K | A | -1.5467 | |
| 488 | L | A | 0.0000 | |
| 489 | D | A | -1.7160 | |
| 490 | P | A | -1.8997 | |
| 491 | K | A | -2.3785 | |
| 492 | S | A | 0.0000 | |
| 493 | A | A | 0.0000 | |
| 494 | H | A | 0.0000 | |
| 495 | R | A | -2.9710 | |
| 496 | K | A | -2.8192 | |
| 497 | L | A | 0.0000 | |
| 498 | K | A | -2.6889 | |
| 499 | V | A | 0.0000 | |
| 500 | S | A | -1.3088 | |
| 501 | H | A | -1.6300 | |
| 502 | D | A | -1.5833 | |
| 503 | N | A | -1.5693 | |
| 504 | L | A | -0.4469 | |
| 505 | T | A | -0.7013 | |
| 506 | V | A | 0.0000 | |
| 507 | E | A | -2.8861 | |
| 508 | R | A | -3.1826 | |
| 509 | D | A | -3.0681 | |
| 510 | E | A | -2.9245 | |
| 511 | S | A | -1.9382 | |
| 512 | S | A | -2.2456 | |
| 513 | S | A | -1.9107 | |
| 514 | K | A | -2.5800 | |
| 515 | K | A | -2.4244 | |
| 516 | S | A | -1.7824 | |
| 517 | H | A | -2.0773 | |
| 518 | T | A | -1.5809 | |
| 519 | P | A | -1.4778 | |
| 520 | E | A | -2.4331 | |
| 521 | R | A | -2.0746 | |
| 522 | F | A | 0.0000 | |
| 523 | T | A | -1.5361 | |
| 524 | S | A | 0.0000 | |
| 525 | Q | A | -1.6976 | |
| 526 | G | A | -0.9848 | |
| 527 | S | A | 0.0000 | |
| 528 | Y | A | -0.8043 | |
| 529 | G | A | 0.0000 | |
| 530 | V | A | 0.0000 | |
| 531 | A | A | 0.0000 | |
| 532 | G | A | 0.0000 | |
| 533 | N | A | -1.4307 | |
| 534 | V | A | -0.0453 | |
| 535 | F | A | 0.6136 | |
| 536 | I | A | 0.0000 | |
| 537 | D | A | -1.7529 | |
| 538 | S | A | -1.5577 | |
| 539 | G | A | 0.0000 | |
| 540 | R | A | -1.1662 | |
| 541 | H | A | 0.0000 | |
| 542 | Y | A | 0.0000 | |
| 543 | W | A | 0.0000 | |
| 544 | E | A | 0.1968 | |
| 545 | V | A | 0.0000 | |
| 546 | V | A | -0.3445 | |
| 547 | I | A | 0.0000 | |
| 548 | S | A | -1.2034 | |
| 549 | G | A | -1.2678 | |
| 550 | S | A | 0.0000 | |
| 551 | T | A | -0.8128 | |
| 552 | W | A | -0.1695 | |
| 553 | Y | A | 0.0000 | |
| 554 | A | A | 0.0000 | |
| 555 | I | A | 0.0000 | |
| 556 | G | A | 0.0000 | |
| 557 | L | A | 0.0000 | |
| 558 | A | A | 0.0000 | |
| 559 | Y | A | 0.0000 | |
| 560 | K | A | -1.5067 | |
| 561 | S | A | -1.0105 | |
| 562 | A | A | 0.0000 | |
| 563 | P | A | -1.0245 | |
| 564 | K | A | -1.3004 | |
| 565 | H | A | -1.4010 | |
| 566 | E | A | -0.8344 | |
| 567 | W | A | 0.1311 | |
| 568 | I | A | 0.0000 | |
| 569 | G | A | 0.0000 | |
| 570 | K | A | -1.7376 | |
| 571 | N | A | -1.5964 | |
| 572 | S | A | -1.3098 | |
| 573 | A | A | -0.8326 | |
| 574 | S | A | 0.0000 | |
| 575 | W | A | 0.0000 | |
| 576 | A | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | C | A | 0.0000 | |
| 579 | R | A | -0.7138 | |
| 580 | C | A | -0.7133 | |
| 581 | N | A | -1.6204 | |
| 582 | N | A | -2.4531 | |
| 583 | N | A | -2.3183 | |
| 584 | W | A | 0.0000 | |
| 585 | V | A | 0.0000 | |
| 586 | V | A | 0.0000 | |
| 587 | R | A | -1.6234 | |
| 588 | H | A | -2.0073 | |
| 589 | N | A | -2.6884 | |
| 590 | S | A | -2.3087 | |
| 591 | K | A | -2.8722 | |
| 592 | E | A | -2.0223 | |
| 593 | I | A | -0.4125 | |
| 594 | P | A | -0.7634 | |
| 595 | I | A | -0.8639 | |
| 596 | E | A | -2.1081 | |
| 597 | P | A | 0.0000 | |
| 598 | A | A | -0.9676 | |
| 599 | P | A | -1.4227 | |
| 600 | H | A | -1.7385 | |
| 601 | L | A | 0.0000 | |
| 602 | R | A | -2.1550 | |
| 603 | R | A | -1.1901 | |
| 604 | V | A | 0.0000 | |
| 605 | G | A | 0.0000 | |
| 606 | I | A | 0.0000 | |
| 607 | L | A | 0.0000 | |
| 608 | L | A | 0.0000 | |
| 609 | D | A | 0.0000 | |
| 610 | Y | A | -1.5876 | |
| 611 | D | A | -2.6504 | |
| 612 | N | A | -2.3911 | |
| 613 | G | A | -1.6532 | |
| 614 | S | A | -1.3684 | |
| 615 | I | A | 0.0000 | |
| 616 | A | A | 0.0000 | |
| 617 | F | A | 0.0000 | |
| 618 | Y | A | 0.2751 | |
| 619 | D | A | 0.0000 | |
| 620 | A | A | 0.1016 | |
| 621 | L | A | 0.6109 | |
| 622 | N | A | -0.2914 | |
| 623 | S | A | 0.1286 | |
| 624 | I | A | 1.0129 | |
| 625 | H | A | -0.1164 | |
| 626 | L | A | 0.0451 | |
| 627 | Y | A | 0.4106 | |
| 628 | T | A | -0.4387 | |
| 629 | F | A | 0.0000 | |
| 630 | D | A | -1.9695 | |
| 631 | V | A | 0.0000 | |
| 632 | A | A | -0.6091 | |
| 633 | F | A | -0.6672 | |
| 634 | A | A | -0.1937 | |
| 635 | Q | A | -0.7602 | |
| 636 | P | A | -0.7414 | |
| 637 | V | A | 0.0000 | |
| 638 | C | A | 0.0000 | |
| 639 | P | A | 0.0000 | |
| 640 | T | A | 0.0000 | |
| 641 | F | A | 0.0000 | |
| 642 | T | A | 0.0000 | |
| 643 | V | A | 0.0000 | |
| 644 | W | A | -0.5170 | |
| 645 | N | A | -1.5200 | |
| 646 | K | A | -2.4241 | |
| 647 | C | A | -1.6768 | |
| 648 | L | A | 0.0000 | |
| 649 | T | A | 0.0881 | |
| 650 | I | A | 0.0000 | |
| 651 | I | A | 0.4780 | |
| 652 | T | A | -0.0086 | |
| 653 | G | A | -0.1453 | |
| 654 | L | A | 0.1447 | |
| 655 | P | A | -0.4919 | |
| 656 | I | A | 0.0000 | |
| 657 | P | A | -1.1390 | |
| 658 | D | A | -2.1368 | |
| 659 | H | A | -1.5056 | |
| 660 | L | A | -1.0228 | |
| 661 | D | A | -1.1552 | |
| 662 | C | A | -0.8029 | |
| 663 | T | A | -1.0849 | |
| 664 | E | A | -1.9056 | |
| 665 | Q | A | -1.2932 | |
| 666 | L | A | 0.3004 | |
| 667 | P | A | -0.1523 |
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 | -0.7905 | 4.0647 | View | CSV | PDB |
| 4.5 | -0.8882 | 3.8401 | View | CSV | PDB |
| 5.0 | -1.0072 | 3.586 | View | CSV | PDB |
| 5.5 | -1.1245 | 3.4339 | View | CSV | PDB |
| 6.0 | -1.2172 | 3.281 | View | CSV | PDB |
| 6.5 | -1.2706 | 3.3126 | View | CSV | PDB |
| 7.0 | -1.2845 | 3.4583 | View | CSV | PDB |
| 7.5 | -1.2708 | 3.6121 | View | CSV | PDB |
| 8.0 | -1.2416 | 3.7686 | View | CSV | PDB |
| 8.5 | -1.2009 | 3.9254 | View | CSV | PDB |
| 9.0 | -1.1479 | 4.0811 | 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