| Chain sequence(s) |
A: MKPPSLVHCFKLLVLLALARLTMHVPDEDMLSPLGALRLDGHFSFHDVSAMARDFGNQCSFLPAAVLHPGSVSDIAATVRHVFSLGEGSPLTVAARGHGHSLMGQSQAAQGIVVRMESLRGARLQVHDGFVDAPGGELWINVLRETLKHGLAPKSWTDYLHLTVGGTLSNAGVSGQAFRHGPQVSNVNQLEIVTGRGDVVTCSPEDNSDLFYAALGGLGQFGIITRARIALEPAPEMVRWIRVLYSDFESFTEDQEMLIMAENSFDYIEGFVIINRTGILNNWRASFKPQDPVQASHFQSDGRVLYCLELTKNFNSGDTDTMEQEVAVLLSRLRFIQSTLFHTDVTYLEFLDRVHTSELKLRAQSLWEVPHPWLNLLIPRSSIRRFATEVFGRILKDSNNGPILLYPVNKSKWDNKTSVVIPDEEIFYLVGFLSSAPSLSGHGSIAHAMSLNSQIVEFCEEADIGMKQYLAHYTTQEQWKTHFGARWETFERRKHRYDPLAILAPGQRIFPKASLPLSL
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 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 (00:04:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fa19d85ed61ab1/tmp/folded.pdb (00:04:58)
[INFO] Main: Simulation completed successfully. (00:07:14)
|
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 | 0.1350 | |
| 2 | K | A | -1.4080 | |
| 3 | P | A | -0.7825 | |
| 4 | P | A | -0.2411 | |
| 5 | S | A | 0.7372 | |
| 6 | L | A | 2.3382 | |
| 7 | V | A | 2.5482 | |
| 8 | H | A | 1.1529 | |
| 9 | C | A | 2.6012 | |
| 10 | F | A | 3.5836 | |
| 11 | K | A | 1.7849 | |
| 12 | L | A | 3.4680 | |
| 13 | L | A | 3.9171 | |
| 14 | V | A | 3.3810 | |
| 15 | L | A | 3.3945 | |
| 16 | L | A | 3.5088 | |
| 17 | A | A | 2.2819 | |
| 18 | L | A | 2.6951 | |
| 19 | A | A | 1.5844 | |
| 20 | R | A | 0.1888 | |
| 21 | L | A | 1.1929 | |
| 22 | T | A | 0.6965 | |
| 23 | M | A | 0.9288 | |
| 24 | H | A | 0.1352 | |
| 25 | V | A | 0.6980 | |
| 26 | P | A | 0.0000 | |
| 27 | D | A | -2.9068 | |
| 28 | E | A | -3.2250 | |
| 29 | D | A | -3.2527 | |
| 30 | M | A | -1.8222 | |
| 31 | L | A | -1.3613 | |
| 32 | S | A | -1.5326 | |
| 33 | P | A | -0.6861 | |
| 34 | L | A | 0.0000 | |
| 35 | G | A | -0.6710 | |
| 36 | A | A | -0.4657 | |
| 37 | L | A | -0.9585 | |
| 38 | R | A | -2.2499 | |
| 39 | L | A | 0.0000 | |
| 40 | D | A | -2.6850 | |
| 41 | G | A | -1.9952 | |
| 42 | H | A | -1.5779 | |
| 43 | F | A | -0.3536 | |
| 44 | S | A | -0.5830 | |
| 45 | F | A | -0.3216 | |
| 46 | H | A | -1.5630 | |
| 47 | D | A | -2.0714 | |
| 48 | V | A | 0.0000 | |
| 49 | S | A | -0.6047 | |
| 50 | A | A | -0.3826 | |
| 51 | M | A | -0.1168 | |
| 52 | A | A | 0.0000 | |
| 53 | R | A | -0.5272 | |
| 54 | D | A | 0.0000 | |
| 55 | F | A | 0.0000 | |
| 56 | G | A | 0.0000 | |
| 57 | N | A | -1.2589 | |
| 58 | Q | A | -0.6188 | |
| 59 | C | A | -0.1824 | |
| 60 | S | A | 0.0807 | |
| 61 | F | A | 1.1212 | |
| 62 | L | A | 1.1097 | |
| 63 | P | A | 0.0000 | |
| 64 | A | A | 0.3847 | |
| 65 | A | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | L | A | 0.0000 | |
| 68 | H | A | -1.2041 | |
| 69 | P | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | S | A | -1.0775 | |
| 72 | V | A | -0.2406 | |
| 73 | S | A | -0.5731 | |
| 74 | D | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | A | A | 0.0000 | |
| 77 | A | A | -0.9158 | |
| 78 | T | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | R | A | -2.0166 | |
| 81 | H | A | -0.8011 | |
| 82 | V | A | 0.0000 | |
| 83 | F | A | -0.6560 | |
| 84 | S | A | -0.6043 | |
| 85 | L | A | -0.1997 | |
| 86 | G | A | -0.8110 | |
| 87 | E | A | -2.0007 | |
| 88 | G | A | -1.3368 | |
| 89 | S | A | -0.7607 | |
| 90 | P | A | -0.8255 | |
| 91 | L | A | 0.0000 | |
| 92 | T | A | 0.0000 | |
| 93 | V | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | A | A | -0.2957 | |
| 96 | R | A | 0.0000 | |
| 97 | G | A | -0.7808 | |
| 98 | H | A | -0.8445 | |
| 99 | G | A | 0.0000 | |
| 100 | H | A | -0.3646 | |
| 101 | S | A | -0.3171 | |
| 102 | L | A | 0.0000 | |
| 103 | M | A | -0.1385 | |
| 104 | G | A | 0.0000 | |
| 105 | Q | A | -0.1960 | |
| 106 | S | A | -0.2335 | |
| 107 | Q | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | A | A | 0.5409 | |
| 110 | Q | A | 0.5394 | |
| 111 | G | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | R | A | -0.9396 | |
| 116 | M | A | 0.0000 | |
| 117 | E | A | -1.2886 | |
| 118 | S | A | -1.3053 | |
| 119 | L | A | 0.0000 | |
| 120 | R | A | -2.7901 | |
| 121 | G | A | -1.9900 | |
| 122 | A | A | -1.8449 | |
| 123 | R | A | -2.5018 | |
| 124 | L | A | -1.2397 | |
| 125 | Q | A | -0.9614 | |
| 126 | V | A | -1.1683 | |
| 127 | H | A | -1.5472 | |
| 128 | D | A | -2.3511 | |
| 129 | G | A | -1.4768 | |
| 130 | F | A | -1.0857 | |
| 131 | V | A | 0.0000 | |
| 132 | D | A | -1.1413 | |
| 133 | A | A | 0.0000 | |
| 134 | P | A | 0.0000 | |
| 135 | G | A | 0.0000 | |
| 136 | G | A | -1.0067 | |
| 137 | E | A | -1.0982 | |
| 138 | L | A | -0.2635 | |
| 139 | W | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | N | A | -0.7619 | |
| 142 | V | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | R | A | -1.6852 | |
| 145 | E | A | -1.4828 | |
| 146 | T | A | 0.0000 | |
| 147 | L | A | -1.5023 | |
| 148 | K | A | -2.3537 | |
| 149 | H | A | -2.2245 | |
| 150 | G | A | -1.6823 | |
| 151 | L | A | -1.5642 | |
| 152 | A | A | 0.0000 | |
| 153 | P | A | 0.0000 | |
| 154 | K | A | -0.9584 | |
| 155 | S | A | 0.0000 | |
| 156 | W | A | 0.0000 | |
| 157 | T | A | -0.1775 | |
| 158 | D | A | -0.3752 | |
| 159 | Y | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | H | A | -0.2545 | |
| 162 | L | A | -0.2685 | |
| 163 | T | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | G | A | -0.4073 | |
| 166 | G | A | -0.4484 | |
| 167 | T | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | S | A | -0.1982 | |
| 170 | N | A | -0.2387 | |
| 171 | A | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | S | A | 0.0000 | |
| 175 | G | A | 0.0000 | |
| 176 | Q | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | F | A | 0.0000 | |
| 179 | R | A | -1.6772 | |
| 180 | H | A | -1.1223 | |
| 181 | G | A | 0.0000 | |
| 182 | P | A | 0.0000 | |
| 183 | Q | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | S | A | -0.7481 | |
| 186 | N | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | N | A | -1.8093 | |
| 189 | Q | A | -1.8558 | |
| 190 | L | A | 0.0000 | |
| 191 | E | A | -0.3643 | |
| 192 | I | A | 0.0000 | |
| 193 | V | A | 0.0000 | |
| 194 | T | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | R | A | -1.6351 | |
| 197 | G | A | 0.0000 | |
| 198 | D | A | -1.3677 | |
| 199 | V | A | 0.2363 | |
| 200 | V | A | -0.1025 | |
| 201 | T | A | -0.6626 | |
| 202 | C | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | P | A | -2.2491 | |
| 205 | E | A | -3.2342 | |
| 206 | D | A | -3.3397 | |
| 207 | N | A | -2.5207 | |
| 208 | S | A | -2.2225 | |
| 209 | D | A | -1.7748 | |
| 210 | L | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | Y | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | L | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | L | A | 0.0274 | |
| 219 | G | A | -0.1547 | |
| 220 | Q | A | 0.0000 | |
| 221 | F | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | I | A | 0.0000 | |
| 224 | I | A | 0.0000 | |
| 225 | T | A | 0.0000 | |
| 226 | R | A | -1.3069 | |
| 227 | A | A | 0.0000 | |
| 228 | R | A | -1.2923 | |
| 229 | I | A | 0.0000 | |
| 230 | A | A | -1.0369 | |
| 231 | L | A | 0.0000 | |
| 232 | E | A | -1.9560 | |
| 233 | P | A | -1.5553 | |
| 234 | A | A | -1.3383 | |
| 235 | P | A | -1.3860 | |
| 236 | E | A | -2.0428 | |
| 237 | M | A | -1.4365 | |
| 238 | V | A | 0.0000 | |
| 239 | R | A | -0.8812 | |
| 240 | W | A | -0.4061 | |
| 241 | I | A | 0.0000 | |
| 242 | R | A | -0.4419 | |
| 243 | V | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | Y | A | 0.0000 | |
| 246 | S | A | -0.9646 | |
| 247 | D | A | -1.6067 | |
| 248 | F | A | 0.0000 | |
| 249 | E | A | -2.3562 | |
| 250 | S | A | -1.8331 | |
| 251 | F | A | 0.0000 | |
| 252 | T | A | 0.0000 | |
| 253 | E | A | -1.5305 | |
| 254 | D | A | 0.0000 | |
| 255 | Q | A | 0.0000 | |
| 256 | E | A | 0.0000 | |
| 257 | M | A | 0.1163 | |
| 258 | L | A | 0.0000 | |
| 259 | I | A | 0.0000 | |
| 260 | M | A | 0.3804 | |
| 261 | A | A | -0.8233 | |
| 262 | E | A | -2.3358 | |
| 263 | N | A | -2.1568 | |
| 264 | S | A | 0.0000 | |
| 265 | F | A | 0.0000 | |
| 266 | D | A | -0.9226 | |
| 267 | Y | A | 0.0000 | |
| 268 | I | A | 0.0000 | |
| 269 | E | A | 0.0000 | |
| 270 | G | A | 0.0000 | |
| 271 | F | A | 0.2829 | |
| 272 | V | A | 0.0000 | |
| 273 | I | A | -0.5819 | |
| 274 | I | A | 0.0000 | |
| 275 | N | A | -3.3034 | |
| 276 | R | A | -2.8194 | |
| 277 | T | A | -2.2650 | |
| 278 | G | A | -1.6642 | |
| 279 | I | A | 0.0000 | |
| 280 | L | A | 0.0000 | |
| 281 | N | A | -2.2432 | |
| 282 | N | A | -2.1995 | |
| 283 | W | A | 0.0000 | |
| 284 | R | A | -2.1019 | |
| 285 | A | A | -1.2324 | |
| 286 | S | A | -1.1036 | |
| 287 | F | A | 0.0000 | |
| 288 | K | A | -2.5311 | |
| 289 | P | A | 0.0000 | |
| 290 | Q | A | -1.9981 | |
| 291 | D | A | -1.3998 | |
| 292 | P | A | -0.7158 | |
| 293 | V | A | 0.6224 | |
| 294 | Q | A | -1.0486 | |
| 295 | A | A | 0.0000 | |
| 296 | S | A | -0.8134 | |
| 297 | H | A | -1.2117 | |
| 298 | F | A | -0.9568 | |
| 299 | Q | A | -2.1086 | |
| 300 | S | A | 0.0000 | |
| 301 | D | A | -2.9705 | |
| 302 | G | A | -2.6628 | |
| 303 | R | A | -2.5628 | |
| 304 | V | A | -1.5166 | |
| 305 | L | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | C | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | E | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | T | A | 0.0000 | |
| 312 | K | A | -0.8480 | |
| 313 | N | A | -1.1060 | |
| 314 | F | A | 0.0000 | |
| 315 | N | A | -1.9414 | |
| 316 | S | A | -1.6186 | |
| 317 | G | A | -1.5265 | |
| 318 | D | A | -2.1909 | |
| 319 | T | A | -2.3445 | |
| 320 | D | A | -3.1150 | |
| 321 | T | A | -2.3451 | |
| 322 | M | A | 0.0000 | |
| 323 | E | A | -2.8764 | |
| 324 | Q | A | -2.3151 | |
| 325 | E | A | -1.6741 | |
| 326 | V | A | 0.0000 | |
| 327 | A | A | -0.4889 | |
| 328 | V | A | 0.4276 | |
| 329 | L | A | 0.0000 | |
| 330 | L | A | -0.6158 | |
| 331 | S | A | -0.8564 | |
| 332 | R | A | -1.8810 | |
| 333 | L | A | 0.0000 | |
| 334 | R | A | -2.3729 | |
| 335 | F | A | 0.0000 | |
| 336 | I | A | -0.4513 | |
| 337 | Q | A | -1.6182 | |
| 338 | S | A | -1.0138 | |
| 339 | T | A | 0.0000 | |
| 340 | L | A | -1.0461 | |
| 341 | F | A | 0.0000 | |
| 342 | H | A | -1.3407 | |
| 343 | T | A | -1.1435 | |
| 344 | D | A | -1.5189 | |
| 345 | V | A | -0.9958 | |
| 346 | T | A | -1.1725 | |
| 347 | Y | A | 0.0000 | |
| 348 | L | A | -0.9010 | |
| 349 | E | A | -1.7735 | |
| 350 | F | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | D | A | -0.8894 | |
| 353 | R | A | -0.7357 | |
| 354 | V | A | -0.2492 | |
| 355 | H | A | -0.4019 | |
| 356 | T | A | -0.4658 | |
| 357 | S | A | -0.5285 | |
| 358 | E | A | 0.0000 | |
| 359 | L | A | -0.5558 | |
| 360 | K | A | -1.8862 | |
| 361 | L | A | -1.5818 | |
| 362 | R | A | -2.5168 | |
| 363 | A | A | -1.5963 | |
| 364 | Q | A | -2.0812 | |
| 365 | S | A | -1.7035 | |
| 366 | L | A | -1.1160 | |
| 367 | W | A | -1.4285 | |
| 368 | E | A | -2.2116 | |
| 369 | V | A | -0.9291 | |
| 370 | P | A | -0.5338 | |
| 371 | H | A | 0.0000 | |
| 372 | P | A | 0.0000 | |
| 373 | W | A | 0.3579 | |
| 374 | L | A | 0.0000 | |
| 375 | N | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | I | A | 0.0000 | |
| 379 | P | A | 0.0000 | |
| 380 | R | A | -2.0512 | |
| 381 | S | A | -1.2711 | |
| 382 | S | A | -1.5557 | |
| 383 | I | A | 0.0000 | |
| 384 | R | A | -2.1334 | |
| 385 | R | A | -2.4405 | |
| 386 | F | A | 0.0000 | |
| 387 | A | A | 0.0000 | |
| 388 | T | A | -1.6263 | |
| 389 | E | A | -1.8404 | |
| 390 | V | A | 0.0000 | |
| 391 | F | A | 0.0000 | |
| 392 | G | A | -1.8330 | |
| 393 | R | A | -2.8351 | |
| 394 | I | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | K | A | -3.0900 | |
| 397 | D | A | -2.9342 | |
| 398 | S | A | -1.7440 | |
| 399 | N | A | 0.0000 | |
| 400 | N | A | -0.7750 | |
| 401 | G | A | -0.2754 | |
| 402 | P | A | -0.1390 | |
| 403 | I | A | 0.0000 | |
| 404 | L | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | Y | A | 0.0000 | |
| 407 | P | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | N | A | 0.0000 | |
| 410 | K | A | -2.1345 | |
| 411 | S | A | -1.5184 | |
| 412 | K | A | -1.8039 | |
| 413 | W | A | 0.0000 | |
| 414 | D | A | -1.8155 | |
| 415 | N | A | -2.2631 | |
| 416 | K | A | -2.1225 | |
| 417 | T | A | 0.0000 | |
| 418 | S | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | I | A | -0.5336 | |
| 422 | P | A | 0.0000 | |
| 423 | D | A | -2.4696 | |
| 424 | E | A | -2.3349 | |
| 425 | E | A | -2.3596 | |
| 426 | I | A | 0.0000 | |
| 427 | F | A | 0.0000 | |
| 428 | Y | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | V | A | 0.0000 | |
| 431 | G | A | 0.0000 | |
| 432 | F | A | 0.0000 | |
| 433 | L | A | 0.1288 | |
| 434 | S | A | 0.0000 | |
| 435 | S | A | -0.1815 | |
| 436 | A | A | 0.0000 | |
| 437 | P | A | -0.0515 | |
| 438 | S | A | 0.4262 | |
| 439 | L | A | 1.2976 | |
| 440 | S | A | 0.2036 | |
| 441 | G | A | -0.4975 | |
| 442 | H | A | -0.8423 | |
| 443 | G | A | -0.2764 | |
| 444 | S | A | 0.0000 | |
| 445 | I | A | 0.6745 | |
| 446 | A | A | 0.3537 | |
| 447 | H | A | -0.1216 | |
| 448 | A | A | 0.0000 | |
| 449 | M | A | 0.3336 | |
| 450 | S | A | -0.1196 | |
| 451 | L | A | -0.2266 | |
| 452 | N | A | -0.3867 | |
| 453 | S | A | -0.8026 | |
| 454 | Q | A | -1.3496 | |
| 455 | I | A | 0.0000 | |
| 456 | V | A | -1.5547 | |
| 457 | E | A | -3.2277 | |
| 458 | F | A | 0.0000 | |
| 459 | C | A | 0.0000 | |
| 460 | E | A | -3.9414 | |
| 461 | E | A | -3.6954 | |
| 462 | A | A | -2.8234 | |
| 463 | D | A | -3.2356 | |
| 464 | I | A | 0.0000 | |
| 465 | G | A | -1.6223 | |
| 466 | M | A | -0.6928 | |
| 467 | K | A | -0.1215 | |
| 468 | Q | A | 0.0000 | |
| 469 | Y | A | 0.2637 | |
| 470 | L | A | 0.4182 | |
| 471 | A | A | 0.0000 | |
| 472 | H | A | -0.1951 | |
| 473 | Y | A | -0.5345 | |
| 474 | T | A | -0.6851 | |
| 475 | T | A | -1.2843 | |
| 476 | Q | A | -1.8696 | |
| 477 | E | A | -2.6675 | |
| 478 | Q | A | -2.0156 | |
| 479 | W | A | 0.0000 | |
| 480 | K | A | -2.3099 | |
| 481 | T | A | -1.4269 | |
| 482 | H | A | 0.0000 | |
| 483 | F | A | 0.0000 | |
| 484 | G | A | -1.0032 | |
| 485 | A | A | -0.8307 | |
| 486 | R | A | -1.4310 | |
| 487 | W | A | 0.0000 | |
| 488 | E | A | -2.7937 | |
| 489 | T | A | -1.9015 | |
| 490 | F | A | 0.0000 | |
| 491 | E | A | -2.4510 | |
| 492 | R | A | -3.1586 | |
| 493 | R | A | 0.0000 | |
| 494 | K | A | 0.0000 | |
| 495 | H | A | -1.6090 | |
| 496 | R | A | -2.4903 | |
| 497 | Y | A | 0.0000 | |
| 498 | D | A | 0.0000 | |
| 499 | P | A | -0.9354 | |
| 500 | L | A | 0.0000 | |
| 501 | A | A | 0.0000 | |
| 502 | I | A | 0.0000 | |
| 503 | L | A | 0.0000 | |
| 504 | A | A | -0.1471 | |
| 505 | P | A | -0.3616 | |
| 506 | G | A | 0.0000 | |
| 507 | Q | A | 0.0000 | |
| 508 | R | A | -0.8097 | |
| 509 | I | A | 0.0000 | |
| 510 | F | A | 0.0000 | |
| 511 | P | A | -0.6134 | |
| 512 | K | A | -0.9225 | |
| 513 | A | A | -0.8048 | |
| 514 | S | A | -0.3478 | |
| 515 | L | A | -0.0235 | |
| 516 | P | A | 0.6587 | |
| 517 | L | A | 1.5667 | |
| 518 | S | A | 0.8040 | |
| 519 | L | A | 1.8574 |
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 | -0.5471 | 4.8642 | View | CSV | PDB |
| 4.5 | -0.6004 | 4.8817 | View | CSV | PDB |
| 5.0 | -0.6651 | 4.9304 | View | CSV | PDB |
| 5.5 | -0.7296 | 5.0432 | View | CSV | PDB |
| 6.0 | -0.7836 | 5.2389 | View | CSV | PDB |
| 6.5 | -0.8217 | 5.487 | View | CSV | PDB |
| 7.0 | -0.8444 | 5.7409 | View | CSV | PDB |
| 7.5 | -0.8571 | 5.9851 | View | CSV | PDB |
| 8.0 | -0.8639 | 6.2228 | View | CSV | PDB |
| 8.5 | -0.8649 | 6.4567 | View | CSV | PDB |
| 9.0 | -0.8585 | 6.6861 | 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