| Chain sequence(s) |
A: MKIKTGARILALSALTTMMFSASALAKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTRITKMGSSHHHHHHSSGENLYFQGAMAVGFLSNTTSSGDTWIDGYRSMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGKLKGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNR
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 (00:12:15)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/eac8f935a525e2/tmp/folded.pdb (00:12:15)
[INFO] Main: Simulation completed successfully. (00:15:14)
|
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 | 0.6626 | |
| 2 | K | A | -0.6271 | |
| 3 | I | A | 0.4512 | |
| 4 | K | A | -1.1929 | |
| 5 | T | A | -0.8898 | |
| 6 | G | A | -0.8522 | |
| 7 | A | A | -0.5528 | |
| 8 | R | A | -0.5321 | |
| 9 | I | A | 2.0320 | |
| 10 | L | A | 2.4592 | |
| 11 | A | A | 1.8228 | |
| 12 | L | A | 2.3505 | |
| 13 | S | A | 1.1901 | |
| 14 | A | A | 1.1105 | |
| 15 | L | A | 1.7899 | |
| 16 | T | A | 1.0715 | |
| 17 | T | A | 1.4279 | |
| 18 | M | A | 2.2399 | |
| 19 | M | A | 2.4393 | |
| 20 | F | A | 2.6379 | |
| 21 | S | A | 1.1751 | |
| 22 | A | A | 0.8212 | |
| 23 | S | A | 0.4477 | |
| 24 | A | A | 0.3475 | |
| 25 | L | A | 0.8121 | |
| 26 | A | A | -0.4439 | |
| 27 | K | A | -2.0874 | |
| 28 | I | A | -2.0260 | |
| 29 | E | A | -3.2628 | |
| 30 | E | A | -3.1674 | |
| 31 | G | A | -1.9937 | |
| 32 | K | A | -2.0297 | |
| 33 | L | A | 0.0000 | |
| 34 | V | A | -0.3040 | |
| 35 | I | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | I | A | 0.0000 | |
| 38 | N | A | -2.1601 | |
| 39 | G | A | -2.3506 | |
| 40 | D | A | -2.4057 | |
| 41 | K | A | -1.9582 | |
| 42 | G | A | 0.0000 | |
| 43 | Y | A | -1.4888 | |
| 44 | N | A | -1.9286 | |
| 45 | G | A | 0.0000 | |
| 46 | L | A | 0.0000 | |
| 47 | A | A | -1.7931 | |
| 48 | E | A | -3.1019 | |
| 49 | V | A | 0.0000 | |
| 50 | G | A | 0.0000 | |
| 51 | K | A | -4.2778 | |
| 52 | K | A | -4.0211 | |
| 53 | F | A | 0.0000 | |
| 54 | E | A | -4.0324 | |
| 55 | K | A | -4.0108 | |
| 56 | D | A | -3.0210 | |
| 57 | T | A | -2.1099 | |
| 58 | G | A | -2.3023 | |
| 59 | I | A | -2.2499 | |
| 60 | K | A | -2.7550 | |
| 61 | V | A | -1.6134 | |
| 62 | T | A | -0.5481 | |
| 63 | V | A | -0.5117 | |
| 64 | E | A | -1.4213 | |
| 65 | H | A | -2.2319 | |
| 66 | P | A | -2.2206 | |
| 67 | D | A | -3.4471 | |
| 68 | K | A | -3.7044 | |
| 69 | L | A | 0.0000 | |
| 70 | E | A | -2.7580 | |
| 71 | E | A | -3.6270 | |
| 72 | K | A | -3.0423 | |
| 73 | F | A | 0.0000 | |
| 74 | P | A | -1.4902 | |
| 75 | Q | A | -1.9069 | |
| 76 | V | A | -1.1751 | |
| 77 | A | A | 0.0000 | |
| 78 | A | A | -0.4800 | |
| 79 | T | A | -0.3968 | |
| 80 | G | A | -0.5893 | |
| 81 | D | A | -1.1169 | |
| 82 | G | A | -0.8920 | |
| 83 | P | A | 0.0000 | |
| 84 | D | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | W | A | -0.4087 | |
| 89 | A | A | -0.6093 | |
| 90 | H | A | 0.0000 | |
| 91 | D | A | -1.1787 | |
| 92 | R | A | -2.0688 | |
| 93 | F | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | G | A | -0.9808 | |
| 96 | Y | A | 0.0000 | |
| 97 | A | A | -1.3104 | |
| 98 | Q | A | -1.1868 | |
| 99 | S | A | -0.8412 | |
| 100 | G | A | -0.9206 | |
| 101 | L | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | A | A | -1.1563 | |
| 104 | E | A | -2.2421 | |
| 105 | I | A | 0.0000 | |
| 106 | T | A | -1.3796 | |
| 107 | P | A | 0.0000 | |
| 108 | D | A | -2.8991 | |
| 109 | K | A | -3.2203 | |
| 110 | A | A | -2.2017 | |
| 111 | F | A | 0.0000 | |
| 112 | Q | A | -2.4692 | |
| 113 | D | A | -3.1215 | |
| 114 | K | A | -2.3237 | |
| 115 | L | A | 0.0000 | |
| 116 | Y | A | -0.8887 | |
| 117 | P | A | -0.9537 | |
| 118 | F | A | -0.5582 | |
| 119 | T | A | 0.0000 | |
| 120 | W | A | 0.0000 | |
| 121 | D | A | -1.6417 | |
| 122 | A | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | R | A | -2.0206 | |
| 125 | Y | A | -1.8087 | |
| 126 | N | A | -2.1327 | |
| 127 | G | A | -2.0504 | |
| 128 | K | A | -2.3195 | |
| 129 | L | A | 0.0000 | |
| 130 | I | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | Y | A | 0.0000 | |
| 133 | P | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | A | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | E | A | -0.8020 | |
| 138 | A | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | Y | A | -0.5323 | |
| 144 | N | A | 0.0000 | |
| 145 | K | A | -2.0326 | |
| 146 | D | A | -2.3217 | |
| 147 | L | A | -1.4082 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | -1.5403 | |
| 150 | N | A | -1.9102 | |
| 151 | P | A | -1.2473 | |
| 152 | P | A | 0.0000 | |
| 153 | K | A | -2.2236 | |
| 154 | T | A | -1.9556 | |
| 155 | W | A | 0.0000 | |
| 156 | E | A | -1.9481 | |
| 157 | E | A | -1.8494 | |
| 158 | I | A | 0.0000 | |
| 159 | P | A | -1.6333 | |
| 160 | A | A | -1.3598 | |
| 161 | L | A | -1.4916 | |
| 162 | D | A | 0.0000 | |
| 163 | K | A | -3.1535 | |
| 164 | E | A | -3.3419 | |
| 165 | L | A | 0.0000 | |
| 166 | K | A | -3.0391 | |
| 167 | A | A | -2.4666 | |
| 168 | K | A | -2.9465 | |
| 169 | G | A | -2.5968 | |
| 170 | K | A | -2.6618 | |
| 171 | S | A | -1.8020 | |
| 172 | A | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | M | A | -0.1131 | |
| 175 | F | A | 0.0000 | |
| 176 | N | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | Q | A | -0.9901 | |
| 179 | E | A | -0.5650 | |
| 180 | P | A | 0.0000 | |
| 181 | Y | A | -0.0316 | |
| 182 | F | A | 0.0000 | |
| 183 | T | A | 0.0000 | |
| 184 | W | A | 0.0000 | |
| 185 | P | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | D | A | -1.6990 | |
| 191 | G | A | -0.8526 | |
| 192 | G | A | 0.0000 | |
| 193 | Y | A | -0.2636 | |
| 194 | A | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | K | A | -1.9298 | |
| 197 | Y | A | -2.0132 | |
| 198 | E | A | -3.1201 | |
| 199 | N | A | -2.9252 | |
| 200 | G | A | -2.6359 | |
| 201 | K | A | -3.1770 | |
| 202 | Y | A | -2.2587 | |
| 203 | D | A | -2.9074 | |
| 204 | I | A | -1.6551 | |
| 205 | K | A | -2.5076 | |
| 206 | D | A | -2.0542 | |
| 207 | V | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | D | A | -1.9737 | |
| 211 | N | A | -1.2359 | |
| 212 | A | A | -0.7680 | |
| 213 | G | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | K | A | -1.2927 | |
| 216 | A | A | -0.7344 | |
| 217 | G | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | T | A | -0.3797 | |
| 220 | F | A | -0.3112 | |
| 221 | L | A | 0.0000 | |
| 222 | V | A | -1.0982 | |
| 223 | D | A | -1.8406 | |
| 224 | L | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | K | A | -3.3320 | |
| 227 | N | A | -3.2484 | |
| 228 | K | A | -3.2669 | |
| 229 | H | A | 0.0000 | |
| 230 | M | A | 0.0000 | |
| 231 | N | A | -2.6647 | |
| 232 | A | A | -2.0385 | |
| 233 | D | A | -2.2019 | |
| 234 | T | A | 0.0000 | |
| 235 | D | A | -0.8052 | |
| 236 | Y | A | 0.2707 | |
| 237 | S | A | 0.3531 | |
| 238 | I | A | 0.8800 | |
| 239 | A | A | 0.0000 | |
| 240 | E | A | -0.3721 | |
| 241 | A | A | -0.5819 | |
| 242 | A | A | 0.0000 | |
| 243 | F | A | 0.0000 | |
| 244 | N | A | -2.0935 | |
| 245 | K | A | -2.5845 | |
| 246 | G | A | -2.2915 | |
| 247 | E | A | -2.5869 | |
| 248 | T | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | M | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | N | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | P | A | -0.0471 | |
| 256 | W | A | 0.1491 | |
| 257 | A | A | 0.0000 | |
| 258 | W | A | 0.0000 | |
| 259 | S | A | -1.1164 | |
| 260 | N | A | -1.8705 | |
| 261 | I | A | 0.0000 | |
| 262 | D | A | -2.3583 | |
| 263 | T | A | -1.6704 | |
| 264 | S | A | -2.0766 | |
| 265 | K | A | -2.6731 | |
| 266 | V | A | -2.1878 | |
| 267 | N | A | -2.0759 | |
| 268 | Y | A | -1.2572 | |
| 269 | G | A | 0.0000 | |
| 270 | V | A | 0.0000 | |
| 271 | T | A | -0.2900 | |
| 272 | V | A | -0.3211 | |
| 273 | L | A | 0.0000 | |
| 274 | P | A | 0.0000 | |
| 275 | T | A | -1.6287 | |
| 276 | F | A | 0.0000 | |
| 277 | K | A | -2.4693 | |
| 278 | G | A | -2.0251 | |
| 279 | Q | A | -1.8446 | |
| 280 | P | A | -1.3105 | |
| 281 | S | A | 0.0000 | |
| 282 | K | A | -1.1391 | |
| 283 | P | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | G | A | -0.4247 | |
| 287 | V | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | S | A | 0.0000 | |
| 290 | A | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | N | A | 0.0000 | |
| 294 | A | A | -0.5152 | |
| 295 | A | A | -0.4534 | |
| 296 | S | A | 0.0000 | |
| 297 | P | A | -1.6176 | |
| 298 | N | A | 0.0000 | |
| 299 | K | A | -1.9929 | |
| 300 | E | A | -2.3819 | |
| 301 | L | A | -1.5077 | |
| 302 | A | A | 0.0000 | |
| 303 | K | A | -1.9267 | |
| 304 | E | A | -2.0265 | |
| 305 | F | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | E | A | -1.2663 | |
| 308 | N | A | -1.6822 | |
| 309 | Y | A | -1.4319 | |
| 310 | L | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | T | A | -1.6889 | |
| 313 | D | A | -2.3641 | |
| 314 | E | A | -2.6008 | |
| 315 | G | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | E | A | -2.5779 | |
| 318 | A | A | -2.4389 | |
| 319 | V | A | 0.0000 | |
| 320 | N | A | -2.0487 | |
| 321 | K | A | -2.7251 | |
| 322 | D | A | -2.4671 | |
| 323 | K | A | -2.1660 | |
| 324 | P | A | -1.4317 | |
| 325 | L | A | -0.7393 | |
| 326 | G | A | 0.0000 | |
| 327 | A | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | A | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | K | A | -1.8605 | |
| 332 | S | A | -1.7654 | |
| 333 | Y | A | 0.0000 | |
| 334 | E | A | 0.0000 | |
| 335 | E | A | -3.1943 | |
| 336 | E | A | -3.3474 | |
| 337 | L | A | -2.1495 | |
| 338 | A | A | -2.1245 | |
| 339 | K | A | -2.8144 | |
| 340 | D | A | -1.8346 | |
| 341 | P | A | -1.0469 | |
| 342 | R | A | -0.8939 | |
| 343 | I | A | -1.0844 | |
| 344 | A | A | -1.2170 | |
| 345 | A | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | M | A | 0.0000 | |
| 348 | E | A | -1.6051 | |
| 349 | N | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | Q | A | -1.9488 | |
| 352 | K | A | -1.7460 | |
| 353 | G | A | -1.2200 | |
| 354 | E | A | -0.5132 | |
| 355 | I | A | -0.3378 | |
| 356 | M | A | 0.0605 | |
| 357 | P | A | 0.0000 | |
| 358 | N | A | 0.0000 | |
| 359 | I | A | -0.5108 | |
| 360 | P | A | -0.3275 | |
| 361 | Q | A | 0.0339 | |
| 362 | M | A | 0.0000 | |
| 363 | S | A | 0.1726 | |
| 364 | A | A | 0.0000 | |
| 365 | F | A | 0.0000 | |
| 366 | W | A | 0.0493 | |
| 367 | Y | A | -0.1842 | |
| 368 | A | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | R | A | -0.7092 | |
| 371 | T | A | -0.3966 | |
| 372 | A | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | I | A | -0.6997 | |
| 375 | N | A | -1.2629 | |
| 376 | A | A | 0.0000 | |
| 377 | A | A | -1.2642 | |
| 378 | S | A | -1.5569 | |
| 379 | G | A | -1.6881 | |
| 380 | R | A | -2.4328 | |
| 381 | Q | A | -2.1054 | |
| 382 | T | A | -1.9648 | |
| 383 | V | A | -1.9789 | |
| 384 | D | A | -3.3972 | |
| 385 | E | A | -3.6735 | |
| 386 | A | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | K | A | -3.4395 | |
| 389 | D | A | -2.3911 | |
| 390 | A | A | 0.0000 | |
| 391 | Q | A | -1.5925 | |
| 392 | T | A | -1.1739 | |
| 393 | R | A | -1.0998 | |
| 394 | I | A | 0.0000 | |
| 395 | T | A | -1.0192 | |
| 396 | K | A | -1.2129 | |
| 397 | M | A | -0.6866 | |
| 398 | G | A | 0.0000 | |
| 399 | S | A | -1.4219 | |
| 400 | S | A | -1.3739 | |
| 401 | H | A | -1.7951 | |
| 402 | H | A | -2.3086 | |
| 403 | H | A | -2.6440 | |
| 404 | H | A | -2.7742 | |
| 405 | H | A | -2.5632 | |
| 406 | H | A | -2.1010 | |
| 407 | S | A | -1.4945 | |
| 408 | S | A | -1.4397 | |
| 409 | G | A | -1.9689 | |
| 410 | E | A | -1.9438 | |
| 411 | N | A | -1.2028 | |
| 412 | L | A | 0.9501 | |
| 413 | Y | A | 1.3171 | |
| 414 | F | A | 0.5284 | |
| 415 | Q | A | -0.6393 | |
| 416 | G | A | -0.5786 | |
| 417 | A | A | -0.3626 | |
| 418 | M | A | -0.0604 | |
| 419 | A | A | 0.0865 | |
| 420 | V | A | 0.0563 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | S | A | 0.0000 | |
| 425 | N | A | -1.6498 | |
| 426 | T | A | -0.8645 | |
| 427 | T | A | -0.8777 | |
| 428 | S | A | -0.6571 | |
| 429 | S | A | -0.9319 | |
| 430 | G | A | -1.4764 | |
| 431 | D | A | -2.0743 | |
| 432 | T | A | -1.0575 | |
| 433 | W | A | 0.0000 | |
| 434 | I | A | -0.3904 | |
| 435 | D | A | 0.0000 | |
| 436 | G | A | -0.3324 | |
| 437 | Y | A | -0.3155 | |
| 438 | R | A | -1.3966 | |
| 439 | S | A | -0.8782 | |
| 440 | M | A | -0.6838 | |
| 441 | N | A | -0.6091 | |
| 442 | A | A | 0.0000 | |
| 443 | T | A | -0.6460 | |
| 444 | V | A | 0.0000 | |
| 445 | T | A | -1.4167 | |
| 446 | K | A | -2.2215 | |
| 447 | A | A | -1.5858 | |
| 448 | A | A | -1.0151 | |
| 449 | K | A | -1.4377 | |
| 450 | V | A | -1.2510 | |
| 451 | E | A | -2.3348 | |
| 452 | N | A | -1.7847 | |
| 453 | G | A | 0.0000 | |
| 454 | F | A | 0.0000 | |
| 455 | K | A | -1.3787 | |
| 456 | F | A | 0.0000 | |
| 457 | T | A | -1.1414 | |
| 458 | G | A | -0.8683 | |
| 459 | P | A | -0.9069 | |
| 460 | G | A | -1.2560 | |
| 461 | S | A | 0.0000 | |
| 462 | R | A | -1.2007 | |
| 463 | A | A | 0.0000 | |
| 464 | T | A | -0.4147 | |
| 465 | W | A | 0.0000 | |
| 466 | P | A | -0.4801 | |
| 467 | V | A | 0.0000 | |
| 468 | N | A | -1.2889 | |
| 469 | S | A | -0.9882 | |
| 470 | R | A | -1.8477 | |
| 471 | W | A | -0.1745 | |
| 472 | D | A | -1.2740 | |
| 473 | I | A | 0.3032 | |
| 474 | K | A | -1.2940 | |
| 475 | Q | A | -1.1321 | |
| 476 | Y | A | 0.0000 | |
| 477 | G | A | -0.4876 | |
| 478 | F | A | 0.1686 | |
| 479 | V | A | 0.0000 | |
| 480 | D | A | 0.0000 | |
| 481 | Y | A | 0.0463 | |
| 482 | N | A | -0.8587 | |
| 483 | F | A | 0.0000 | |
| 484 | T | A | 0.0000 | |
| 485 | I | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | A | A | 0.0000 | |
| 488 | M | A | -0.4855 | |
| 489 | A | A | 0.0000 | |
| 490 | T | A | -2.0803 | |
| 491 | I | A | 0.0000 | |
| 492 | H | A | -1.6996 | |
| 493 | Q | A | -1.0193 | |
| 494 | V | A | 0.3003 | |
| 495 | P | A | -0.4247 | |
| 496 | S | A | -0.9087 | |
| 497 | E | A | -1.7786 | |
| 498 | S | A | -0.8626 | |
| 499 | T | A | 0.0000 | |
| 500 | P | A | 0.0000 | |
| 501 | L | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | G | A | 0.0000 | |
| 504 | A | A | 0.0000 | |
| 505 | S | A | 0.0000 | |
| 506 | L | A | 0.0000 | |
| 507 | R | A | -3.1043 | |
| 508 | G | A | -2.5988 | |
| 509 | N | A | -2.8494 | |
| 510 | K | A | -3.1793 | |
| 511 | R | A | -2.9607 | |
| 512 | T | A | -2.1142 | |
| 513 | K | A | -1.5811 | |
| 514 | L | A | 0.0000 | |
| 515 | I | A | 0.0000 | |
| 516 | G | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | S | A | 0.0000 | |
| 519 | Y | A | 0.0000 | |
| 520 | G | A | 0.0000 | |
| 521 | A | A | -0.6314 | |
| 522 | G | A | -0.7333 | |
| 523 | G | A | -0.8056 | |
| 524 | K | A | -0.5665 | |
| 525 | W | A | 0.0000 | |
| 526 | E | A | 0.0000 | |
| 527 | T | A | 0.0000 | |
| 528 | V | A | 0.0000 | |
| 529 | Y | A | -0.8977 | |
| 530 | D | A | -1.7164 | |
| 531 | G | A | -1.8151 | |
| 532 | T | A | -1.3278 | |
| 533 | K | A | -1.2102 | |
| 534 | T | A | 0.0770 | |
| 535 | V | A | 1.0610 | |
| 536 | Q | A | -0.2215 | |
| 537 | G | A | -0.6375 | |
| 538 | G | A | -0.7653 | |
| 539 | T | A | -1.1113 | |
| 540 | W | A | 0.0000 | |
| 541 | E | A | -2.8704 | |
| 542 | P | A | -2.1514 | |
| 543 | G | A | -2.5968 | |
| 544 | R | A | -3.5774 | |
| 545 | E | A | -3.1999 | |
| 546 | Y | A | 0.0000 | |
| 547 | Q | A | -1.0781 | |
| 548 | V | A | 0.0000 | |
| 549 | A | A | 0.0000 | |
| 550 | L | A | 0.0000 | |
| 551 | M | A | -0.3767 | |
| 552 | L | A | 0.0000 | |
| 553 | Q | A | -1.7077 | |
| 554 | D | A | -2.2035 | |
| 555 | G | A | 0.0000 | |
| 556 | N | A | -1.0772 | |
| 557 | K | A | -1.2244 | |
| 558 | G | A | 0.0000 | |
| 559 | F | A | -0.1446 | |
| 560 | V | A | 0.0000 | |
| 561 | Y | A | 0.0000 | |
| 562 | V | A | 0.0000 | |
| 563 | D | A | -1.5749 | |
| 564 | G | A | -1.2321 | |
| 565 | K | A | -1.8775 | |
| 566 | L | A | -0.6455 | |
| 567 | K | A | -0.8064 | |
| 568 | G | A | -1.0093 | |
| 569 | N | A | -1.2645 | |
| 570 | P | A | -0.5948 | |
| 571 | A | A | -0.3095 | |
| 572 | M | A | 0.2953 | |
| 573 | L | A | 0.0000 | |
| 574 | P | A | -1.0157 | |
| 575 | T | A | -1.3118 | |
| 576 | P | A | -1.3560 | |
| 577 | E | A | -2.4385 | |
| 578 | E | A | -2.3923 | |
| 579 | R | A | 0.0000 | |
| 580 | W | A | -0.3398 | |
| 581 | T | A | -0.9456 | |
| 582 | E | A | -1.2970 | |
| 583 | F | A | 0.0000 | |
| 584 | S | A | -1.4246 | |
| 585 | H | A | 0.0000 | |
| 586 | F | A | 0.0000 | |
| 587 | Y | A | 0.0000 | |
| 588 | F | A | 0.0000 | |
| 589 | G | A | 0.0000 | |
| 590 | G | A | 0.0000 | |
| 591 | D | A | 0.0000 | |
| 592 | E | A | -2.0742 | |
| 593 | G | A | -1.4846 | |
| 594 | D | A | -1.2707 | |
| 595 | S | A | -1.0486 | |
| 596 | G | A | 0.0000 | |
| 597 | S | A | 0.0000 | |
| 598 | D | A | -0.9159 | |
| 599 | A | A | 0.0000 | |
| 600 | T | A | -0.7734 | |
| 601 | L | A | 0.0000 | |
| 602 | T | A | -0.7968 | |
| 603 | D | A | -0.7721 | |
| 604 | V | A | 0.0000 | |
| 605 | F | A | 0.0000 | |
| 606 | L | A | 0.0000 | |
| 607 | Y | A | 0.0000 | |
| 608 | N | A | -0.5087 | |
| 609 | R | A | -1.0343 |
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 | -0.7604 | 4.8394 | View | CSV | PDB |
| 4.5 | -0.8266 | 4.8394 | View | CSV | PDB |
| 5.0 | -0.906 | 4.8394 | View | CSV | PDB |
| 5.5 | -0.9822 | 4.8394 | View | CSV | PDB |
| 6.0 | -1.0366 | 4.8394 | View | CSV | PDB |
| 6.5 | -1.0557 | 4.8394 | View | CSV | PDB |
| 7.0 | -1.0408 | 4.8394 | View | CSV | PDB |
| 7.5 | -1.0038 | 4.8394 | View | CSV | PDB |
| 8.0 | -0.9553 | 4.8394 | View | CSV | PDB |
| 8.5 | -0.8983 | 4.8394 | View | CSV | PDB |
| 9.0 | -0.8322 | 4.8394 | 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