| Chain sequence(s) |
A: SNLSPDPNHQRFLKLYEKIRDPKNGYFSEKGVPYHSREDFIVEAPDHGHETTSEAFSYYLRLEAEYGRVTGDYKPFNEAMEIIEKYAIPGPEDQPTMDSYNPSKPATYAPEHPDPTQYPSQLDSSVPVGTDPLTEELRATYGTWNVFGMHWLLDVDNVLGFGNSPGKCSAGSKTDKPSYINTFQRGPQESVFKTVPQPSCDDGKYGGENGYLDLFTGDSSYPAKQWKYTNAPDADAEMIEAAYEALREAKKQGKEEEVLESVERAARLADWLLYSLFDKYFRKIGNCIGAKSCPAGTGFDSAHYLLSWYYAWGGALDTSAGWAWRIGSSHSHAGYQNPYAFWAASEVEALRPRTPTGAELWKQAYKAQLDFFEWLQTKEGAIAGGVTGSYNGSYSTPPAGTPTFKGMYYDENPVYHDPPSNQWFGMQAWSLERLARAYYETGDERAKKVLDKAVPWLISNTEVNEDGTFRIPSDLEWSGQPDTYDPNNPGDNSNLHTKVTNYGQDVGVAGSLASMLLYYAKASGDEKARKTAEALLKALAKYEDEYGISVPETRADYKRFNEEVPIPKGWEGYTPNGDKIKEGATYLDIRTYYKDLKEWPKVEAYLNGGEAPVFTYHRFWAQVDVAVAYSLA
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 (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:38)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/95111797ad2194b/tmp/folded.pdb (00:09:38)
[INFO] Main: Simulation completed successfully. (00:12:41)
|
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 | S | A | -0.8806 | |
| 2 | N | A | -1.2120 | |
| 3 | L | A | 0.3097 | |
| 4 | S | A | -0.4849 | |
| 5 | P | A | -0.9450 | |
| 6 | D | A | -1.4515 | |
| 7 | P | A | -1.3762 | |
| 8 | N | A | -1.2023 | |
| 9 | H | A | -1.2013 | |
| 10 | Q | A | -1.6549 | |
| 11 | R | A | -1.3800 | |
| 12 | F | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | K | A | -1.8417 | |
| 15 | L | A | 0.0000 | |
| 16 | Y | A | 0.0000 | |
| 17 | E | A | -1.7562 | |
| 18 | K | A | -1.8234 | |
| 19 | I | A | 0.0000 | |
| 20 | R | A | -1.3411 | |
| 21 | D | A | -1.6393 | |
| 22 | P | A | -1.8310 | |
| 23 | K | A | -2.0867 | |
| 24 | N | A | -1.7068 | |
| 25 | G | A | -1.2545 | |
| 26 | Y | A | 0.0000 | |
| 27 | F | A | -0.8811 | |
| 28 | S | A | -1.2934 | |
| 29 | E | A | -2.3238 | |
| 30 | K | A | -1.6774 | |
| 31 | G | A | -1.0495 | |
| 32 | V | A | 0.0000 | |
| 33 | P | A | 0.0000 | |
| 34 | Y | A | 0.0000 | |
| 35 | H | A | 0.0000 | |
| 36 | S | A | 0.0000 | |
| 37 | R | A | -0.6106 | |
| 38 | E | A | -0.7779 | |
| 39 | D | A | -0.6836 | |
| 40 | F | A | 0.0000 | |
| 41 | I | A | 0.0000 | |
| 42 | V | A | 0.0000 | |
| 43 | E | A | -0.5932 | |
| 44 | A | A | -0.1842 | |
| 45 | P | A | 0.0000 | |
| 46 | D | A | 0.0000 | |
| 47 | H | A | 0.0000 | |
| 48 | G | A | 0.0000 | |
| 49 | H | A | -0.3903 | |
| 50 | E | A | 0.0000 | |
| 51 | T | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | S | A | 0.0000 | |
| 54 | E | A | -0.2912 | |
| 55 | A | A | 0.0000 | |
| 56 | F | A | 0.0000 | |
| 57 | S | A | 0.0000 | |
| 58 | Y | A | 0.0000 | |
| 59 | Y | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | E | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | E | A | 0.0000 | |
| 66 | Y | A | -0.3499 | |
| 67 | G | A | 0.0000 | |
| 68 | R | A | -0.8199 | |
| 69 | V | A | -0.1546 | |
| 70 | T | A | -0.0634 | |
| 71 | G | A | -1.1633 | |
| 72 | D | A | -1.8610 | |
| 73 | Y | A | 0.0000 | |
| 74 | K | A | -2.4654 | |
| 75 | P | A | -1.5064 | |
| 76 | F | A | 0.0000 | |
| 77 | N | A | -1.9234 | |
| 78 | E | A | -1.7930 | |
| 79 | A | A | 0.0000 | |
| 80 | M | A | 0.0000 | |
| 81 | E | A | -2.5830 | |
| 82 | I | A | -1.7127 | |
| 83 | I | A | 0.0000 | |
| 84 | E | A | -1.9493 | |
| 85 | K | A | -2.3986 | |
| 86 | Y | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | P | A | 0.0000 | |
| 90 | G | A | -1.3331 | |
| 91 | P | A | -1.3146 | |
| 92 | E | A | -2.3358 | |
| 93 | D | A | 0.0000 | |
| 94 | Q | A | 0.0000 | |
| 95 | P | A | -1.4140 | |
| 96 | T | A | 0.0000 | |
| 97 | M | A | 0.0000 | |
| 98 | D | A | -2.1412 | |
| 99 | S | A | -1.1222 | |
| 100 | Y | A | 0.0000 | |
| 101 | N | A | -2.0616 | |
| 102 | P | A | -1.5717 | |
| 103 | S | A | -1.4621 | |
| 104 | K | A | -2.2032 | |
| 105 | P | A | 0.0000 | |
| 106 | A | A | -0.6230 | |
| 107 | T | A | -0.3788 | |
| 108 | Y | A | 0.0000 | |
| 109 | A | A | -0.6464 | |
| 110 | P | A | -0.6864 | |
| 111 | E | A | -1.1933 | |
| 112 | H | A | -1.3252 | |
| 113 | P | A | -1.4333 | |
| 114 | D | A | -1.5561 | |
| 115 | P | A | 0.0000 | |
| 116 | T | A | -1.2364 | |
| 117 | Q | A | -1.7456 | |
| 118 | Y | A | 0.0000 | |
| 119 | P | A | -1.1304 | |
| 120 | S | A | 0.0000 | |
| 121 | Q | A | -1.8989 | |
| 122 | L | A | -1.0425 | |
| 123 | D | A | -1.1285 | |
| 124 | S | A | -0.5513 | |
| 125 | S | A | -0.7403 | |
| 126 | V | A | 0.0000 | |
| 127 | P | A | -0.9489 | |
| 128 | V | A | 0.0000 | |
| 129 | G | A | 0.0000 | |
| 130 | T | A | -0.7582 | |
| 131 | D | A | 0.0000 | |
| 132 | P | A | -0.4697 | |
| 133 | L | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | E | A | -2.3382 | |
| 136 | E | A | -1.7969 | |
| 137 | L | A | 0.0000 | |
| 138 | R | A | -2.2378 | |
| 139 | A | A | -1.2238 | |
| 140 | T | A | -1.2828 | |
| 141 | Y | A | -0.8282 | |
| 142 | G | A | -0.8525 | |
| 143 | T | A | -0.9505 | |
| 144 | W | A | -1.2765 | |
| 145 | N | A | -1.0557 | |
| 146 | V | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | M | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | W | A | 0.1075 | |
| 152 | L | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | D | A | 0.0000 | |
| 155 | V | A | 0.0000 | |
| 156 | D | A | -1.0218 | |
| 157 | N | A | 0.0000 | |
| 158 | V | A | -0.0654 | |
| 159 | L | A | 0.0000 | |
| 160 | G | A | 0.0000 | |
| 161 | F | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | N | A | 0.0000 | |
| 164 | S | A | 0.0000 | |
| 165 | P | A | -1.5767 | |
| 166 | G | A | -1.5336 | |
| 167 | K | A | -1.9268 | |
| 168 | C | A | -0.8955 | |
| 169 | S | A | 0.0000 | |
| 170 | A | A | -1.0054 | |
| 171 | G | A | 0.0000 | |
| 172 | S | A | -1.5108 | |
| 173 | K | A | -2.2650 | |
| 174 | T | A | -2.0655 | |
| 175 | D | A | -2.6939 | |
| 176 | K | A | -2.2013 | |
| 177 | P | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | Y | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | N | A | 0.0000 | |
| 182 | T | A | 0.0000 | |
| 183 | F | A | 0.0084 | |
| 184 | Q | A | -0.4058 | |
| 185 | R | A | 0.0000 | |
| 186 | G | A | -1.0338 | |
| 187 | P | A | -1.0237 | |
| 188 | Q | A | -1.2689 | |
| 189 | E | A | 0.0000 | |
| 190 | S | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | F | A | 0.0000 | |
| 193 | K | A | -0.8345 | |
| 194 | T | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | P | A | 0.0000 | |
| 197 | Q | A | 0.0000 | |
| 198 | P | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | C | A | 0.0000 | |
| 201 | D | A | 0.0000 | |
| 202 | D | A | -1.4497 | |
| 203 | G | A | -1.5990 | |
| 204 | K | A | -1.4458 | |
| 205 | Y | A | -0.6771 | |
| 206 | G | A | 0.0000 | |
| 207 | G | A | -1.7914 | |
| 208 | E | A | -2.1896 | |
| 209 | N | A | 0.0000 | |
| 210 | G | A | 0.0000 | |
| 211 | Y | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | D | A | -0.8556 | |
| 214 | L | A | 0.0000 | |
| 215 | F | A | 0.0000 | |
| 216 | T | A | -0.9572 | |
| 217 | G | A | -1.4501 | |
| 218 | D | A | -2.0412 | |
| 219 | S | A | -1.0811 | |
| 220 | S | A | -0.2760 | |
| 221 | Y | A | 0.3427 | |
| 222 | P | A | -0.5853 | |
| 223 | A | A | -0.9160 | |
| 224 | K | A | -1.9435 | |
| 225 | Q | A | -1.1653 | |
| 226 | W | A | 0.0000 | |
| 227 | K | A | -0.1808 | |
| 228 | Y | A | 0.0000 | |
| 229 | T | A | 0.0713 | |
| 230 | N | A | 0.0000 | |
| 231 | A | A | 0.0443 | |
| 232 | P | A | 0.0000 | |
| 233 | D | A | -0.1561 | |
| 234 | A | A | 0.0000 | |
| 235 | D | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | E | A | 0.0000 | |
| 238 | M | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | E | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | Y | A | 0.0000 | |
| 244 | E | A | -0.4641 | |
| 245 | A | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | R | A | -1.4103 | |
| 248 | E | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | K | A | -3.3998 | |
| 251 | K | A | -3.0637 | |
| 252 | Q | A | -2.4715 | |
| 253 | G | A | -2.7139 | |
| 254 | K | A | -3.3493 | |
| 255 | E | A | -3.3948 | |
| 256 | E | A | -3.3932 | |
| 257 | E | A | -3.4267 | |
| 258 | V | A | 0.0000 | |
| 259 | L | A | -2.0449 | |
| 260 | E | A | -2.7702 | |
| 261 | S | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | E | A | -2.5210 | |
| 264 | R | A | -1.7997 | |
| 265 | A | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | R | A | -1.4066 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | D | A | 0.0000 | |
| 271 | W | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | Y | A | 0.0000 | |
| 275 | S | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | F | A | 0.0000 | |
| 278 | D | A | 0.0000 | |
| 279 | K | A | -0.0826 | |
| 280 | Y | A | 0.0000 | |
| 281 | F | A | 0.0000 | |
| 282 | R | A | 0.0000 | |
| 283 | K | A | -1.2189 | |
| 284 | I | A | -1.0397 | |
| 285 | G | A | -1.3887 | |
| 286 | N | A | -1.4956 | |
| 287 | C | A | 0.0000 | |
| 288 | I | A | -0.0602 | |
| 289 | G | A | -0.5766 | |
| 290 | A | A | -0.9129 | |
| 291 | K | A | -1.8775 | |
| 292 | S | A | -0.9892 | |
| 293 | C | A | 0.0000 | |
| 294 | P | A | -0.8705 | |
| 295 | A | A | -0.7165 | |
| 296 | G | A | 0.0000 | |
| 297 | T | A | -0.3946 | |
| 298 | G | A | -0.1910 | |
| 299 | F | A | 0.1156 | |
| 300 | D | A | -0.9124 | |
| 301 | S | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | H | A | 0.0000 | |
| 304 | Y | A | -0.2477 | |
| 305 | L | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | S | A | 0.0000 | |
| 308 | W | A | 0.2537 | |
| 309 | Y | A | 0.2452 | |
| 310 | Y | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | W | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | G | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | L | A | -1.0694 | |
| 317 | D | A | -1.9339 | |
| 318 | T | A | -1.1012 | |
| 319 | S | A | -0.7151 | |
| 320 | A | A | -0.5484 | |
| 321 | G | A | -0.8042 | |
| 322 | W | A | -0.3414 | |
| 323 | A | A | -0.5143 | |
| 324 | W | A | -0.2044 | |
| 325 | R | A | 0.0000 | |
| 326 | I | A | 0.2076 | |
| 327 | G | A | 0.0000 | |
| 328 | S | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | H | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | H | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | G | A | 0.0000 | |
| 335 | Y | A | 0.1229 | |
| 336 | Q | A | 0.0000 | |
| 337 | N | A | 0.0000 | |
| 338 | P | A | 0.0000 | |
| 339 | Y | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | F | A | 0.0000 | |
| 342 | W | A | -0.6725 | |
| 343 | A | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | S | A | 0.0000 | |
| 346 | E | A | -1.7584 | |
| 347 | V | A | -1.3080 | |
| 348 | E | A | -2.3947 | |
| 349 | A | A | -1.7742 | |
| 350 | L | A | 0.0000 | |
| 351 | R | A | -2.4908 | |
| 352 | P | A | 0.0000 | |
| 353 | R | A | -2.5628 | |
| 354 | T | A | 0.0000 | |
| 355 | P | A | -1.1145 | |
| 356 | T | A | -1.0042 | |
| 357 | G | A | 0.0000 | |
| 358 | A | A | -2.1344 | |
| 359 | E | A | -2.6091 | |
| 360 | L | A | 0.0000 | |
| 361 | W | A | 0.0000 | |
| 362 | K | A | -2.3532 | |
| 363 | Q | A | -2.1521 | |
| 364 | A | A | 0.0000 | |
| 365 | Y | A | 0.0000 | |
| 366 | K | A | -1.8844 | |
| 367 | A | A | -1.2714 | |
| 368 | Q | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | D | A | -1.2562 | |
| 371 | F | A | 0.0000 | |
| 372 | F | A | 0.0000 | |
| 373 | E | A | -1.7251 | |
| 374 | W | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | Q | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | K | A | -2.5102 | |
| 379 | E | A | -1.8581 | |
| 380 | G | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | I | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | G | A | 0.0000 | |
| 385 | G | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | T | A | 0.0000 | |
| 388 | G | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | Y | A | -0.5886 | |
| 391 | N | A | -1.3729 | |
| 392 | G | A | 0.0000 | |
| 393 | S | A | -0.5073 | |
| 394 | Y | A | 0.0000 | |
| 395 | S | A | -0.2407 | |
| 396 | T | A | -0.2644 | |
| 397 | P | A | -0.4214 | |
| 398 | P | A | -0.3637 | |
| 399 | A | A | -0.3122 | |
| 400 | G | A | -0.5238 | |
| 401 | T | A | -0.5781 | |
| 402 | P | A | 0.0000 | |
| 403 | T | A | -1.0913 | |
| 404 | F | A | 0.0000 | |
| 405 | K | A | -2.0536 | |
| 406 | G | A | -1.3715 | |
| 407 | M | A | 0.0000 | |
| 408 | Y | A | 0.0000 | |
| 409 | Y | A | 0.0000 | |
| 410 | D | A | -0.8410 | |
| 411 | E | A | -1.3956 | |
| 412 | N | A | -0.8046 | |
| 413 | P | A | 0.0000 | |
| 414 | V | A | -0.2312 | |
| 415 | Y | A | -0.4058 | |
| 416 | H | A | -1.2817 | |
| 417 | D | A | -1.0928 | |
| 418 | P | A | -0.8959 | |
| 419 | P | A | -1.0725 | |
| 420 | S | A | -0.4433 | |
| 421 | N | A | 0.0000 | |
| 422 | Q | A | -1.0386 | |
| 423 | W | A | -0.3329 | |
| 424 | F | A | 0.0000 | |
| 425 | G | A | 0.0000 | |
| 426 | M | A | 0.0000 | |
| 427 | Q | A | 0.0000 | |
| 428 | A | A | 0.0000 | |
| 429 | W | A | 0.1250 | |
| 430 | S | A | 0.0000 | |
| 431 | L | A | 0.0000 | |
| 432 | E | A | 0.0000 | |
| 433 | R | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | R | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | Y | A | 0.0000 | |
| 439 | Y | A | -0.3265 | |
| 440 | E | A | -0.3901 | |
| 441 | T | A | -0.6295 | |
| 442 | G | A | -1.2486 | |
| 443 | D | A | -1.9002 | |
| 444 | E | A | -3.1482 | |
| 445 | R | A | -2.8633 | |
| 446 | A | A | 0.0000 | |
| 447 | K | A | -2.8112 | |
| 448 | K | A | -3.3447 | |
| 449 | V | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | D | A | -2.2900 | |
| 452 | K | A | -1.8881 | |
| 453 | A | A | 0.0000 | |
| 454 | V | A | 0.0000 | |
| 455 | P | A | -0.8717 | |
| 456 | W | A | 0.0000 | |
| 457 | L | A | 0.0000 | |
| 458 | I | A | -0.4091 | |
| 459 | S | A | -0.3962 | |
| 460 | N | A | -0.5147 | |
| 461 | T | A | -0.6029 | |
| 462 | E | A | -1.0517 | |
| 463 | V | A | -1.2818 | |
| 464 | N | A | -2.1575 | |
| 465 | E | A | -2.8741 | |
| 466 | D | A | -3.0157 | |
| 467 | G | A | -2.3014 | |
| 468 | T | A | -1.8045 | |
| 469 | F | A | 0.0000 | |
| 470 | R | A | -1.5385 | |
| 471 | I | A | 0.0000 | |
| 472 | P | A | 0.0000 | |
| 473 | S | A | -0.6642 | |
| 474 | D | A | -1.2765 | |
| 475 | L | A | 0.0000 | |
| 476 | E | A | -2.8058 | |
| 477 | W | A | 0.0000 | |
| 478 | S | A | -1.6863 | |
| 479 | G | A | -1.6056 | |
| 480 | Q | A | -1.7766 | |
| 481 | P | A | 0.0000 | |
| 482 | D | A | -1.9791 | |
| 483 | T | A | -1.3131 | |
| 484 | Y | A | -1.6723 | |
| 485 | D | A | -2.3221 | |
| 486 | P | A | -2.0430 | |
| 487 | N | A | -2.3849 | |
| 488 | N | A | -2.6810 | |
| 489 | P | A | -2.4917 | |
| 490 | G | A | -2.4755 | |
| 491 | D | A | -2.9582 | |
| 492 | N | A | 0.0000 | |
| 493 | S | A | -2.1957 | |
| 494 | N | A | -2.4532 | |
| 495 | L | A | 0.0000 | |
| 496 | H | A | -2.2409 | |
| 497 | T | A | 0.0000 | |
| 498 | K | A | -2.6515 | |
| 499 | V | A | -1.5426 | |
| 500 | T | A | -1.4818 | |
| 501 | N | A | -1.5549 | |
| 502 | Y | A | -0.7356 | |
| 503 | G | A | -0.8978 | |
| 504 | Q | A | -0.9776 | |
| 505 | D | A | -0.8668 | |
| 506 | V | A | 0.0000 | |
| 507 | G | A | 0.0000 | |
| 508 | V | A | 0.0000 | |
| 509 | A | A | 0.0000 | |
| 510 | G | A | 0.0000 | |
| 511 | S | A | 0.0000 | |
| 512 | L | A | 0.0000 | |
| 513 | A | A | 0.0000 | |
| 514 | S | A | 0.0000 | |
| 515 | M | A | 0.0000 | |
| 516 | L | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | Y | A | 0.0000 | |
| 519 | Y | A | 0.0000 | |
| 520 | A | A | 0.0000 | |
| 521 | K | A | -2.1534 | |
| 522 | A | A | -1.1169 | |
| 523 | S | A | -1.3878 | |
| 524 | G | A | -2.0507 | |
| 525 | D | A | -2.9417 | |
| 526 | E | A | -3.7779 | |
| 527 | K | A | -3.5535 | |
| 528 | A | A | 0.0000 | |
| 529 | R | A | -3.2308 | |
| 530 | K | A | -3.2639 | |
| 531 | T | A | 0.0000 | |
| 532 | A | A | 0.0000 | |
| 533 | E | A | -2.0210 | |
| 534 | A | A | -1.7004 | |
| 535 | L | A | 0.0000 | |
| 536 | L | A | 0.0000 | |
| 537 | K | A | -2.1313 | |
| 538 | A | A | 0.0000 | |
| 539 | L | A | 0.0000 | |
| 540 | A | A | -1.6339 | |
| 541 | K | A | -2.4437 | |
| 542 | Y | A | -1.2705 | |
| 543 | E | A | -1.7778 | |
| 544 | D | A | -2.0355 | |
| 545 | E | A | -2.2328 | |
| 546 | Y | A | -1.4790 | |
| 547 | G | A | 0.0000 | |
| 548 | I | A | 0.0000 | |
| 549 | S | A | 0.0000 | |
| 550 | V | A | 0.0000 | |
| 551 | P | A | -0.2582 | |
| 552 | E | A | -0.3201 | |
| 553 | T | A | -0.1566 | |
| 554 | R | A | 0.0000 | |
| 555 | A | A | -0.7292 | |
| 556 | D | A | -1.1444 | |
| 557 | Y | A | 0.0000 | |
| 558 | K | A | -2.0555 | |
| 559 | R | A | -1.8880 | |
| 560 | F | A | 0.0000 | |
| 561 | N | A | -2.3985 | |
| 562 | E | A | -2.3466 | |
| 563 | E | A | -2.9195 | |
| 564 | V | A | 0.0000 | |
| 565 | P | A | -1.7304 | |
| 566 | I | A | 0.0000 | |
| 567 | P | A | -2.1676 | |
| 568 | K | A | -2.9460 | |
| 569 | G | A | -2.2997 | |
| 570 | W | A | -2.5441 | |
| 571 | E | A | -3.3776 | |
| 572 | G | A | -1.6113 | |
| 573 | Y | A | -0.6485 | |
| 574 | T | A | -0.4881 | |
| 575 | P | A | -0.6803 | |
| 576 | N | A | -1.1565 | |
| 577 | G | A | -0.9122 | |
| 578 | D | A | 0.0000 | |
| 579 | K | A | -2.6577 | |
| 580 | I | A | 0.0000 | |
| 581 | K | A | -3.6976 | |
| 582 | E | A | -3.8715 | |
| 583 | G | A | -2.5216 | |
| 584 | A | A | 0.0000 | |
| 585 | T | A | -2.3390 | |
| 586 | Y | A | 0.0000 | |
| 587 | L | A | 0.0000 | |
| 588 | D | A | -2.1819 | |
| 589 | I | A | 0.0000 | |
| 590 | R | A | 0.0000 | |
| 591 | T | A | -1.4333 | |
| 592 | Y | A | -1.1682 | |
| 593 | Y | A | 0.0000 | |
| 594 | K | A | -2.9291 | |
| 595 | D | A | -2.9364 | |
| 596 | L | A | -2.1642 | |
| 597 | K | A | -2.7495 | |
| 598 | E | A | -2.2073 | |
| 599 | W | A | 0.0000 | |
| 600 | P | A | -2.0988 | |
| 601 | K | A | -2.0586 | |
| 602 | V | A | 0.0000 | |
| 603 | E | A | -2.3038 | |
| 604 | A | A | -1.8033 | |
| 605 | Y | A | -1.9053 | |
| 606 | L | A | -1.9034 | |
| 607 | N | A | -2.0265 | |
| 608 | G | A | -1.7379 | |
| 609 | G | A | -1.9082 | |
| 610 | E | A | -2.1321 | |
| 611 | A | A | -1.1550 | |
| 612 | P | A | 0.0000 | |
| 613 | V | A | 0.3537 | |
| 614 | F | A | 0.0000 | |
| 615 | T | A | -0.0494 | |
| 616 | Y | A | 0.0000 | |
| 617 | H | A | 0.0000 | |
| 618 | R | A | 0.0000 | |
| 619 | F | A | 0.0000 | |
| 620 | W | A | 0.0000 | |
| 621 | A | A | 0.0000 | |
| 622 | Q | A | 0.0000 | |
| 623 | V | A | 0.0000 | |
| 624 | D | A | 0.0000 | |
| 625 | V | A | 0.0000 | |
| 626 | A | A | 0.0000 | |
| 627 | V | A | 0.0000 | |
| 628 | A | A | 0.0000 | |
| 629 | Y | A | 0.0000 | |
| 630 | S | A | 0.0000 | |
| 631 | L | A | 0.0000 | |
| 632 | A | A | -0.4970 |
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 | -0.5598 | 2.2314 | View | CSV | PDB |
| 4.5 | -0.6169 | 2.2314 | View | CSV | PDB |
| 5.0 | -0.6858 | 2.2314 | View | CSV | PDB |
| 5.5 | -0.7536 | 2.2314 | View | CSV | PDB |
| 6.0 | -0.8051 | 2.2314 | View | CSV | PDB |
| 6.5 | -0.8285 | 2.2314 | View | CSV | PDB |
| 7.0 | -0.8229 | 2.2314 | View | CSV | PDB |
| 7.5 | -0.7973 | 2.2314 | View | CSV | PDB |
| 8.0 | -0.7601 | 2.2314 | View | CSV | PDB |
| 8.5 | -0.7147 | 2.2314 | View | CSV | PDB |
| 9.0 | -0.6627 | 2.2314 | 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