| Chain sequence(s) |
A: MESSSSLKGSALGKLVVTSGLLHSSWSKILEIHNPPYSNHDPGLQVSKKKKDSGLEFQIHREEKFTLVVFSAPPICRSSSSDSTLLHVKDKENPFPFLCSENNPSFSLHTPAFNLFTSASTSLTYLKSELLQTLKSEKPVIITGAALGGSVASLYTLWLLETIEPTLKRPLCITFGSPLIGDASLQQILENSVRNSCFLHVVSAQTRIKMDFFKPFGTFLICFDSGCVCIEDHVAVTELLNGVHDSGLVDYSQVLNRLDQSMLSLADSRLIPEDVIKGIEKRAEMKNLRFDMMFKKLNDMKISMAYIEWYKKKCKEVKIGYYDRFKTQLAFPSKEFDINIKNHHKSELNRFWKSVVEEVERRPQSDASILKRRFLFSGNNYRRMIEPLDIAEYYLEGRKEYRTTGRSHHYVMLEKWFGMESILIEKERCKKRDLSDLLTFDSCFWAEVEDSLIVINQLNTTVGMRDDVREVLTRKLVEFEGYVWEIITKREVSPEIFLEESSFMKWWKEYKKIKGFNSSYLTEFMNTRKYESYGKSQ
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:52)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ab2fff83e52d907/tmp/folded.pdb (00:11:52)
[INFO] Main: Simulation completed successfully. (00:14:26)
|
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 | 0.6246 | |
| 2 | E | A | -0.8454 | |
| 3 | S | A | -0.9369 | |
| 4 | S | A | -0.6219 | |
| 5 | S | A | -0.9632 | |
| 6 | S | A | -1.2677 | |
| 7 | L | A | -0.5443 | |
| 8 | K | A | -1.5259 | |
| 9 | G | A | 0.0000 | |
| 10 | S | A | -0.8242 | |
| 11 | A | A | -0.2951 | |
| 12 | L | A | 0.1292 | |
| 13 | G | A | 0.0000 | |
| 14 | K | A | -0.8689 | |
| 15 | L | A | 0.9798 | |
| 16 | V | A | 0.4971 | |
| 17 | V | A | 0.0000 | |
| 18 | T | A | -0.1038 | |
| 19 | S | A | 0.0049 | |
| 20 | G | A | -0.0255 | |
| 21 | L | A | 0.2738 | |
| 22 | L | A | 0.0000 | |
| 23 | H | A | -0.5659 | |
| 24 | S | A | -0.2629 | |
| 25 | S | A | 0.0000 | |
| 26 | W | A | 0.0000 | |
| 27 | S | A | -0.5769 | |
| 28 | K | A | -1.1319 | |
| 29 | I | A | 0.0000 | |
| 30 | L | A | -0.9640 | |
| 31 | E | A | -2.3577 | |
| 32 | I | A | -1.5143 | |
| 33 | H | A | -1.8152 | |
| 34 | N | A | -2.1090 | |
| 35 | P | A | -1.2054 | |
| 36 | P | A | -0.6437 | |
| 37 | Y | A | 0.3225 | |
| 38 | S | A | -1.0044 | |
| 39 | N | A | -2.1557 | |
| 40 | H | A | -2.2306 | |
| 41 | D | A | -2.4434 | |
| 42 | P | A | -1.5317 | |
| 43 | G | A | -0.5800 | |
| 44 | L | A | 0.6370 | |
| 45 | Q | A | -0.2542 | |
| 46 | V | A | 0.5430 | |
| 47 | S | A | -1.0865 | |
| 48 | K | A | -3.0992 | |
| 49 | K | A | -3.8798 | |
| 50 | K | A | -4.4379 | |
| 51 | K | A | -4.3256 | |
| 52 | D | A | -3.6416 | |
| 53 | S | A | -2.1559 | |
| 54 | G | A | -1.3404 | |
| 55 | L | A | -0.7378 | |
| 56 | E | A | -1.2484 | |
| 57 | F | A | -0.3665 | |
| 58 | Q | A | -1.2064 | |
| 59 | I | A | -0.7419 | |
| 60 | H | A | -1.5580 | |
| 61 | R | A | -2.9252 | |
| 62 | E | A | -2.9848 | |
| 63 | E | A | -3.4397 | |
| 64 | K | A | -3.1404 | |
| 65 | F | A | 0.0000 | |
| 66 | T | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | V | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | S | A | 0.0000 | |
| 72 | A | A | -0.3057 | |
| 73 | P | A | -0.5634 | |
| 74 | P | A | -0.0529 | |
| 75 | I | A | 0.1055 | |
| 76 | C | A | -0.2210 | |
| 77 | R | A | -1.8995 | |
| 78 | S | A | -1.0959 | |
| 79 | S | A | -1.0135 | |
| 80 | S | A | -1.3177 | |
| 81 | S | A | -1.3655 | |
| 82 | D | A | -1.3284 | |
| 83 | S | A | -0.3111 | |
| 84 | T | A | 0.2065 | |
| 85 | L | A | 1.2932 | |
| 86 | L | A | 0.0000 | |
| 87 | H | A | -1.2555 | |
| 88 | V | A | -1.5988 | |
| 89 | K | A | -2.8391 | |
| 90 | D | A | -3.0934 | |
| 91 | K | A | -3.5030 | |
| 92 | E | A | -3.2060 | |
| 93 | N | A | 0.0000 | |
| 94 | P | A | -0.7611 | |
| 95 | F | A | 0.0000 | |
| 96 | P | A | -0.3969 | |
| 97 | F | A | 1.1176 | |
| 98 | L | A | 0.0000 | |
| 99 | C | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | E | A | -3.0328 | |
| 102 | N | A | -2.8544 | |
| 103 | N | A | -1.6839 | |
| 104 | P | A | -1.2735 | |
| 105 | S | A | -0.6212 | |
| 106 | F | A | 0.0000 | |
| 107 | S | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | H | A | 0.0000 | |
| 110 | T | A | -0.6267 | |
| 111 | P | A | -0.5336 | |
| 112 | A | A | 0.0000 | |
| 113 | F | A | 0.0000 | |
| 114 | N | A | -1.2235 | |
| 115 | L | A | -0.6432 | |
| 116 | F | A | 0.0000 | |
| 117 | T | A | -0.7455 | |
| 118 | S | A | -0.5813 | |
| 119 | A | A | -0.4916 | |
| 120 | S | A | -0.2121 | |
| 121 | T | A | 0.0589 | |
| 122 | S | A | 0.2295 | |
| 123 | L | A | 0.0000 | |
| 124 | T | A | 0.3110 | |
| 125 | Y | A | 0.9888 | |
| 126 | L | A | 0.0000 | |
| 127 | K | A | -0.1794 | |
| 128 | S | A | -0.3425 | |
| 129 | E | A | -0.7352 | |
| 130 | L | A | 0.0000 | |
| 131 | L | A | -1.3908 | |
| 132 | Q | A | -2.1912 | |
| 133 | T | A | -1.7644 | |
| 134 | L | A | 0.0000 | |
| 135 | K | A | -2.9742 | |
| 136 | S | A | -2.3032 | |
| 137 | E | A | -3.2093 | |
| 138 | K | A | -2.6710 | |
| 139 | P | A | -1.8346 | |
| 140 | V | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | T | A | 0.0000 | |
| 144 | G | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | A | A | 0.2295 | |
| 147 | L | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | S | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | Y | A | 0.0000 | |
| 156 | T | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | W | A | 0.2662 | |
| 159 | L | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | E | A | 0.0000 | |
| 162 | T | A | -0.0434 | |
| 163 | I | A | -0.9615 | |
| 164 | E | A | -1.8482 | |
| 165 | P | A | -1.1081 | |
| 166 | T | A | -1.1640 | |
| 167 | L | A | -2.1309 | |
| 168 | K | A | -2.9135 | |
| 169 | R | A | -2.3690 | |
| 170 | P | A | 0.0000 | |
| 171 | L | A | -0.2170 | |
| 172 | C | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | T | A | 0.0000 | |
| 175 | F | A | 0.0000 | |
| 176 | G | A | 0.0797 | |
| 177 | S | A | 0.1044 | |
| 178 | P | A | -0.3365 | |
| 179 | L | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | D | A | -0.3334 | |
| 183 | A | A | -0.5251 | |
| 184 | S | A | -0.6889 | |
| 185 | L | A | 0.0000 | |
| 186 | Q | A | -1.2822 | |
| 187 | Q | A | -1.9619 | |
| 188 | I | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | E | A | -2.4443 | |
| 191 | N | A | -1.3504 | |
| 192 | S | A | -0.5991 | |
| 193 | V | A | 0.3084 | |
| 194 | R | A | 0.0000 | |
| 195 | N | A | -0.6199 | |
| 196 | S | A | -0.5566 | |
| 197 | C | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | H | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | A | A | -0.7452 | |
| 205 | Q | A | -1.3494 | |
| 206 | T | A | -1.2968 | |
| 207 | R | A | -2.0404 | |
| 208 | I | A | 0.0000 | |
| 209 | K | A | -2.1556 | |
| 210 | M | A | 0.0000 | |
| 211 | D | A | -1.7712 | |
| 212 | F | A | -0.5872 | |
| 213 | F | A | 0.0000 | |
| 214 | K | A | -0.7877 | |
| 215 | P | A | 0.0000 | |
| 216 | F | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | T | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | C | A | 0.0000 | |
| 223 | F | A | -0.8752 | |
| 224 | D | A | -2.6320 | |
| 225 | S | A | -1.5136 | |
| 226 | G | A | 0.0000 | |
| 227 | C | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | C | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | E | A | -1.5835 | |
| 232 | D | A | -0.8422 | |
| 233 | H | A | 0.0000 | |
| 234 | V | A | 0.3745 | |
| 235 | A | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | T | A | -1.1116 | |
| 238 | E | A | -1.9024 | |
| 239 | L | A | -1.0733 | |
| 240 | L | A | 0.0000 | |
| 241 | N | A | -2.3316 | |
| 242 | G | A | -1.3590 | |
| 243 | V | A | 0.1224 | |
| 244 | H | A | -1.5279 | |
| 245 | D | A | -2.0109 | |
| 246 | S | A | -1.3100 | |
| 247 | G | A | -0.7076 | |
| 248 | L | A | 0.6579 | |
| 249 | V | A | -0.1435 | |
| 250 | D | A | -1.0792 | |
| 251 | Y | A | 0.0000 | |
| 252 | S | A | -1.4663 | |
| 253 | Q | A | -2.6421 | |
| 254 | V | A | -2.0098 | |
| 255 | L | A | 0.0000 | |
| 256 | N | A | -3.3801 | |
| 257 | R | A | -3.8619 | |
| 258 | L | A | 0.0000 | |
| 259 | D | A | -2.5560 | |
| 260 | Q | A | -2.2942 | |
| 261 | S | A | 0.0000 | |
| 262 | M | A | -0.0125 | |
| 263 | L | A | 1.4174 | |
| 264 | S | A | 0.8102 | |
| 265 | L | A | 1.4230 | |
| 266 | A | A | -0.1584 | |
| 267 | D | A | -1.8802 | |
| 268 | S | A | -1.6142 | |
| 269 | R | A | -2.5868 | |
| 270 | L | A | -1.2716 | |
| 271 | I | A | 0.0000 | |
| 272 | P | A | -2.1731 | |
| 273 | E | A | -3.4459 | |
| 274 | D | A | -3.3874 | |
| 275 | V | A | -2.0543 | |
| 276 | I | A | 0.0000 | |
| 277 | K | A | -3.3553 | |
| 278 | G | A | -2.2419 | |
| 279 | I | A | -1.8579 | |
| 280 | E | A | -2.4346 | |
| 281 | K | A | -3.1740 | |
| 282 | R | A | -2.4140 | |
| 283 | A | A | -2.5087 | |
| 284 | E | A | -3.0587 | |
| 285 | M | A | -1.9259 | |
| 286 | K | A | -2.7290 | |
| 287 | N | A | -2.1199 | |
| 288 | L | A | -0.6829 | |
| 289 | R | A | -1.7351 | |
| 290 | F | A | -0.5673 | |
| 291 | D | A | -1.2397 | |
| 292 | M | A | -0.9084 | |
| 293 | M | A | 0.0922 | |
| 294 | F | A | 0.3999 | |
| 295 | K | A | -1.7327 | |
| 296 | K | A | -1.9661 | |
| 297 | L | A | -1.1504 | |
| 298 | N | A | -2.1446 | |
| 299 | D | A | -2.1020 | |
| 300 | M | A | 0.0000 | |
| 301 | K | A | -1.7157 | |
| 302 | I | A | -0.1922 | |
| 303 | S | A | 0.0000 | |
| 304 | M | A | -0.4414 | |
| 305 | A | A | 0.1784 | |
| 306 | Y | A | 0.7803 | |
| 307 | I | A | 0.0000 | |
| 308 | E | A | -0.9745 | |
| 309 | W | A | 0.1792 | |
| 310 | Y | A | 0.0000 | |
| 311 | K | A | -1.3291 | |
| 312 | K | A | -1.8955 | |
| 313 | K | A | -1.5623 | |
| 314 | C | A | 0.0000 | |
| 315 | K | A | -1.6250 | |
| 316 | E | A | -2.1591 | |
| 317 | V | A | -0.9328 | |
| 318 | K | A | -2.1210 | |
| 319 | I | A | -1.4938 | |
| 320 | G | A | 0.0000 | |
| 321 | Y | A | -0.4471 | |
| 322 | Y | A | 0.0000 | |
| 323 | D | A | -0.5908 | |
| 324 | R | A | -0.6270 | |
| 325 | F | A | 0.0000 | |
| 326 | K | A | -0.1106 | |
| 327 | T | A | 0.2385 | |
| 328 | Q | A | -0.1012 | |
| 329 | L | A | 0.5501 | |
| 330 | A | A | 0.6962 | |
| 331 | F | A | 1.5762 | |
| 332 | P | A | -0.0254 | |
| 333 | S | A | -0.8210 | |
| 334 | K | A | -2.1180 | |
| 335 | E | A | -2.4622 | |
| 336 | F | A | -0.9218 | |
| 337 | D | A | 0.0000 | |
| 338 | I | A | -1.3885 | |
| 339 | N | A | -1.6385 | |
| 340 | I | A | 0.0000 | |
| 341 | K | A | -1.4691 | |
| 342 | N | A | -1.8315 | |
| 343 | H | A | -1.9422 | |
| 344 | H | A | -1.4484 | |
| 345 | K | A | 0.0000 | |
| 346 | S | A | -1.9433 | |
| 347 | E | A | -2.6135 | |
| 348 | L | A | 0.0000 | |
| 349 | N | A | -1.8527 | |
| 350 | R | A | -2.6194 | |
| 351 | F | A | 0.0000 | |
| 352 | W | A | 0.0000 | |
| 353 | K | A | -2.1356 | |
| 354 | S | A | -1.7950 | |
| 355 | V | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | E | A | -2.7092 | |
| 358 | E | A | 0.0000 | |
| 359 | V | A | 0.0000 | |
| 360 | E | A | -2.3894 | |
| 361 | R | A | -2.5599 | |
| 362 | R | A | -1.7262 | |
| 363 | P | A | 0.0000 | |
| 364 | Q | A | -0.4946 | |
| 365 | S | A | 0.2751 | |
| 366 | D | A | 0.0163 | |
| 367 | A | A | 0.0000 | |
| 368 | S | A | -0.6234 | |
| 369 | I | A | -0.6092 | |
| 370 | L | A | -0.9883 | |
| 371 | K | A | -1.3803 | |
| 372 | R | A | -2.2745 | |
| 373 | R | A | -2.2691 | |
| 374 | F | A | 0.0000 | |
| 375 | L | A | -0.4873 | |
| 376 | F | A | 1.1005 | |
| 377 | S | A | 0.3245 | |
| 378 | G | A | 0.0000 | |
| 379 | N | A | 0.0000 | |
| 380 | N | A | 0.2258 | |
| 381 | Y | A | 0.0000 | |
| 382 | R | A | 0.0000 | |
| 383 | R | A | 0.0000 | |
| 384 | M | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | E | A | 0.0000 | |
| 387 | P | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | D | A | -0.5629 | |
| 390 | I | A | 0.0000 | |
| 391 | A | A | 0.0000 | |
| 392 | E | A | -1.0811 | |
| 393 | Y | A | -1.7690 | |
| 394 | Y | A | 0.0000 | |
| 395 | L | A | -1.0620 | |
| 396 | E | A | -2.5580 | |
| 397 | G | A | -2.4140 | |
| 398 | R | A | -3.7053 | |
| 399 | K | A | -3.8218 | |
| 400 | E | A | -3.4486 | |
| 401 | Y | A | 0.0000 | |
| 402 | R | A | -1.6687 | |
| 403 | T | A | -1.2483 | |
| 404 | T | A | -1.4272 | |
| 405 | G | A | -1.6023 | |
| 406 | R | A | -0.9092 | |
| 407 | S | A | -0.6818 | |
| 408 | H | A | -0.8945 | |
| 409 | H | A | 0.0000 | |
| 410 | Y | A | 0.0000 | |
| 411 | V | A | -0.4404 | |
| 412 | M | A | -0.8876 | |
| 413 | L | A | 0.0000 | |
| 414 | E | A | -1.0108 | |
| 415 | K | A | -1.5515 | |
| 416 | W | A | -1.1186 | |
| 417 | F | A | 0.0000 | |
| 418 | G | A | -0.2041 | |
| 419 | M | A | 0.0983 | |
| 420 | E | A | -0.3344 | |
| 421 | S | A | 0.0000 | |
| 422 | I | A | 1.0044 | |
| 423 | L | A | 1.1682 | |
| 424 | I | A | 1.1007 | |
| 425 | E | A | -0.6305 | |
| 426 | K | A | -1.7731 | |
| 427 | E | A | -2.8817 | |
| 428 | R | A | -3.6263 | |
| 429 | C | A | -3.9006 | |
| 430 | K | A | -4.8946 | |
| 431 | K | A | -4.6805 | |
| 432 | R | A | -4.6219 | |
| 433 | D | A | -3.7331 | |
| 434 | L | A | 0.0000 | |
| 435 | S | A | -1.9039 | |
| 436 | D | A | -2.4720 | |
| 437 | L | A | 0.0000 | |
| 438 | L | A | -0.4893 | |
| 439 | T | A | -0.4081 | |
| 440 | F | A | 0.0000 | |
| 441 | D | A | -0.5099 | |
| 442 | S | A | 0.0000 | |
| 443 | C | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | W | A | 0.0000 | |
| 446 | A | A | 0.0000 | |
| 447 | E | A | -0.8465 | |
| 448 | V | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | D | A | -1.4191 | |
| 451 | S | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | I | A | -0.4554 | |
| 454 | V | A | 0.0000 | |
| 455 | I | A | 0.0000 | |
| 456 | N | A | -1.7324 | |
| 457 | Q | A | -1.3490 | |
| 458 | L | A | 0.0000 | |
| 459 | N | A | -1.5089 | |
| 460 | T | A | -0.7907 | |
| 461 | T | A | -0.3353 | |
| 462 | V | A | 1.0517 | |
| 463 | G | A | -0.2572 | |
| 464 | M | A | -1.3918 | |
| 465 | R | A | -3.1493 | |
| 466 | D | A | -3.5417 | |
| 467 | D | A | -2.5675 | |
| 468 | V | A | -1.4894 | |
| 469 | R | A | -2.7626 | |
| 470 | E | A | -2.4664 | |
| 471 | V | A | -0.3278 | |
| 472 | L | A | -0.9423 | |
| 473 | T | A | -1.2143 | |
| 474 | R | A | -2.0406 | |
| 475 | K | A | -1.9968 | |
| 476 | L | A | 0.0000 | |
| 477 | V | A | -0.2347 | |
| 478 | E | A | -1.9612 | |
| 479 | F | A | 0.0000 | |
| 480 | E | A | -0.5953 | |
| 481 | G | A | -0.8110 | |
| 482 | Y | A | -0.7143 | |
| 483 | V | A | 0.0000 | |
| 484 | W | A | -0.6582 | |
| 485 | E | A | -2.0018 | |
| 486 | I | A | 0.0000 | |
| 487 | I | A | 0.0000 | |
| 488 | T | A | -1.4496 | |
| 489 | K | A | -2.5920 | |
| 490 | R | A | -2.0846 | |
| 491 | E | A | -1.4352 | |
| 492 | V | A | 0.0000 | |
| 493 | S | A | 0.0000 | |
| 494 | P | A | -1.0429 | |
| 495 | E | A | -0.7847 | |
| 496 | I | A | 0.0000 | |
| 497 | F | A | 0.0000 | |
| 498 | L | A | -2.0333 | |
| 499 | E | A | -2.9163 | |
| 500 | E | A | -2.9432 | |
| 501 | S | A | 0.0000 | |
| 502 | S | A | -1.2417 | |
| 503 | F | A | 0.0000 | |
| 504 | M | A | 0.0000 | |
| 505 | K | A | -2.5312 | |
| 506 | W | A | 0.0000 | |
| 507 | W | A | 0.0000 | |
| 508 | K | A | -2.6679 | |
| 509 | E | A | -2.4914 | |
| 510 | Y | A | 0.0000 | |
| 511 | K | A | -2.7315 | |
| 512 | K | A | -2.4060 | |
| 513 | I | A | -1.1046 | |
| 514 | K | A | -0.7617 | |
| 515 | G | A | -0.5990 | |
| 516 | F | A | 0.6934 | |
| 517 | N | A | -0.7810 | |
| 518 | S | A | -0.5582 | |
| 519 | S | A | -0.0800 | |
| 520 | Y | A | 0.5866 | |
| 521 | L | A | 0.0000 | |
| 522 | T | A | 0.0000 | |
| 523 | E | A | -2.1671 | |
| 524 | F | A | -1.8658 | |
| 525 | M | A | 0.0000 | |
| 526 | N | A | -2.4869 | |
| 527 | T | A | -2.6436 | |
| 528 | R | A | -3.7802 | |
| 529 | K | A | -3.6271 | |
| 530 | Y | A | 0.0000 | |
| 531 | E | A | -3.1447 | |
| 532 | S | A | -2.2837 | |
| 533 | Y | A | 0.0000 | |
| 534 | G | A | 0.0000 | |
| 535 | K | A | -3.5030 | |
| 536 | S | A | -3.3189 | |
| 537 | Q | A | -2.9971 |
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 | -1.0446 | 4.5522 | View | CSV | PDB |
| 4.5 | -1.1167 | 4.5541 | View | CSV | PDB |
| 5.0 | -1.2056 | 4.5595 | View | CSV | PDB |
| 5.5 | -1.2918 | 4.5737 | View | CSV | PDB |
| 6.0 | -1.3533 | 4.6024 | View | CSV | PDB |
| 6.5 | -1.3752 | 4.6466 | View | CSV | PDB |
| 7.0 | -1.3574 | 4.7012 | View | CSV | PDB |
| 7.5 | -1.3115 | 4.761 | View | CSV | PDB |
| 8.0 | -1.2495 | 4.8228 | View | CSV | PDB |
| 8.5 | -1.177 | 4.885 | View | CSV | PDB |
| 9.0 | -1.0959 | 4.9465 | 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