| Chain sequence(s) | MHCERFLCILRIIGTTLFGVSLLLGITAAYIVGYQFIQTDNYYFSFGLYGAFLASHLIIQSLFAFLEHRKMKKSLETPIKLNKTVALCIAAYQEDPDYLRKCLQSVKRLTYPGIKVVMVIDGNSEDDLYMMDIFSEVMGRDKSATYIWKNNFHEKGPGETDESHKESSQHVTQLVLSNKSICIMQKWGGKREVMYTAFRALGRSVDYVQVCDSDTMLDPASSVEMVKVLEEDPMVGGVGGDVQILNKYDSWISFLSSVRYWMAFNIERACQSYFGCVQCISGPLGMYRNSLLHEFVEDWYNQEFMGNQCSFGDDRHLTNRVLSLGYATKYTARSKCLTETPIEYLRWLNQQTRWSKSYFREWLYNAMWFHKHHLWMTYEAIITGFFPFFLIATVIQLFYRGKIWNILLFLLTVQLVGLIKSSFASCLRGNIVMVFMSLYSVLYMSSLLPAKMFAIATINKAGWGTSGRKTIVVNFIGLIPVSVWFTILLGGVIFTIYKESKRPFSESKQTVLIVGTLLYACYWVMLLTLYVVLINKCGRRKKGQQYDMVLDV input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:28:20)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/909dfcd7e7ce0a/tmp/folded.pdb (00:28:20)
[INFO] Main: Simulation completed successfully. (00:31:28)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | -0.0436 | |
| 2 | H | A | -0.6860 | |
| 3 | C | A | 0.1511 | |
| 4 | E | A | -1.0850 | |
| 5 | R | A | -1.0675 | |
| 6 | F | A | 1.4177 | |
| 7 | L | A | 1.2335 | |
| 8 | C | A | 0.5259 | |
| 9 | I | A | 1.8248 | |
| 10 | L | A | 1.5981 | |
| 11 | R | A | 0.1406 | |
| 12 | I | A | 1.6912 | |
| 13 | I | A | 2.0357 | |
| 14 | G | A | 1.1596 | |
| 15 | T | A | 0.0000 | |
| 16 | T | A | 1.6347 | |
| 17 | L | A | 2.3489 | |
| 18 | F | A | 2.1103 | |
| 19 | G | A | 0.0000 | |
| 20 | V | A | 2.4268 | |
| 21 | S | A | 1.6952 | |
| 22 | L | A | 1.4953 | |
| 23 | L | A | 1.8004 | |
| 24 | L | A | 2.0098 | |
| 25 | G | A | 1.2207 | |
| 26 | I | A | 0.0000 | |
| 27 | T | A | 1.5568 | |
| 28 | A | A | 1.9351 | |
| 29 | A | A | 0.0000 | |
| 30 | Y | A | 2.2054 | |
| 31 | I | A | 3.0927 | |
| 32 | V | A | 3.1086 | |
| 33 | G | A | 2.1530 | |
| 34 | Y | A | 2.5533 | |
| 35 | Q | A | 1.6021 | |
| 36 | F | A | 2.1970 | |
| 37 | I | A | 2.4709 | |
| 38 | Q | A | 0.2627 | |
| 39 | T | A | -0.4058 | |
| 40 | D | A | -2.0118 | |
| 41 | N | A | -1.4459 | |
| 42 | Y | A | 0.5701 | |
| 43 | Y | A | 0.5130 | |
| 44 | F | A | 1.3896 | |
| 45 | S | A | 1.2926 | |
| 46 | F | A | 1.8039 | |
| 47 | G | A | 1.5608 | |
| 48 | L | A | 1.7113 | |
| 49 | Y | A | 1.3872 | |
| 50 | G | A | 0.7818 | |
| 51 | A | A | 0.8282 | |
| 52 | F | A | 1.0247 | |
| 53 | L | A | 1.2169 | |
| 54 | A | A | 1.1721 | |
| 55 | S | A | 1.2328 | |
| 56 | H | A | 0.0000 | |
| 57 | L | A | 1.8802 | |
| 58 | I | A | 2.6476 | |
| 59 | I | A | 2.1974 | |
| 60 | Q | A | 0.0000 | |
| 61 | S | A | 1.6134 | |
| 62 | L | A | 2.0416 | |
| 63 | F | A | 1.4097 | |
| 64 | A | A | 0.0000 | |
| 65 | F | A | 0.7997 | |
| 66 | L | A | -0.0618 | |
| 67 | E | A | 0.0000 | |
| 68 | H | A | -1.5508 | |
| 69 | R | A | -3.1910 | |
| 70 | K | A | -3.0622 | |
| 71 | M | A | 0.0000 | |
| 72 | K | A | -3.5681 | |
| 73 | K | A | -3.5775 | |
| 74 | S | A | -2.3380 | |
| 75 | L | A | -1.1572 | |
| 76 | E | A | -2.0093 | |
| 77 | T | A | -1.3320 | |
| 78 | P | A | -0.7598 | |
| 79 | I | A | -1.2458 | |
| 80 | K | A | -1.9729 | |
| 81 | L | A | -1.2631 | |
| 82 | N | A | -2.0059 | |
| 83 | K | A | -1.7505 | |
| 84 | T | A | -0.9534 | |
| 85 | V | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | A | A | -0.1182 | |
| 91 | A | A | 0.0000 | |
| 92 | Y | A | 0.0772 | |
| 93 | Q | A | -0.9980 | |
| 94 | E | A | 0.0000 | |
| 95 | D | A | -1.9658 | |
| 96 | P | A | -1.9318 | |
| 97 | D | A | -2.5591 | |
| 98 | Y | A | -1.6418 | |
| 99 | L | A | 0.0000 | |
| 100 | R | A | -2.6619 | |
| 101 | K | A | -1.5284 | |
| 102 | C | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | Q | A | -1.6097 | |
| 105 | S | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | K | A | -1.9062 | |
| 108 | R | A | -0.9123 | |
| 109 | L | A | -0.7616 | |
| 110 | T | A | -0.4461 | |
| 111 | Y | A | 0.0000 | |
| 112 | P | A | -0.5895 | |
| 113 | G | A | -0.9958 | |
| 114 | I | A | -0.7528 | |
| 115 | K | A | -0.8157 | |
| 116 | V | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | M | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | D | A | 0.0000 | |
| 122 | G | A | 0.0000 | |
| 123 | N | A | -1.0211 | |
| 124 | S | A | -1.6970 | |
| 125 | E | A | -2.6279 | |
| 126 | D | A | -2.7662 | |
| 127 | D | A | 0.0000 | |
| 128 | L | A | -0.9936 | |
| 129 | Y | A | -0.8622 | |
| 130 | M | A | 0.0000 | |
| 131 | M | A | -0.5633 | |
| 132 | D | A | -2.0237 | |
| 133 | I | A | -1.5322 | |
| 134 | F | A | 0.0000 | |
| 135 | S | A | -2.3220 | |
| 136 | E | A | -2.7085 | |
| 137 | V | A | 0.0000 | |
| 138 | M | A | -1.9321 | |
| 139 | G | A | -2.4285 | |
| 140 | R | A | -3.8294 | |
| 141 | D | A | -3.6465 | |
| 142 | K | A | -3.6080 | |
| 143 | S | A | -2.4959 | |
| 144 | A | A | -1.2718 | |
| 145 | T | A | -0.1835 | |
| 146 | Y | A | 0.4267 | |
| 147 | I | A | 0.4187 | |
| 148 | W | A | 0.0000 | |
| 149 | K | A | -2.0487 | |
| 150 | N | A | 0.0000 | |
| 151 | N | A | 0.0000 | |
| 152 | F | A | -1.4375 | |
| 153 | H | A | -1.7692 | |
| 154 | E | A | -2.9005 | |
| 155 | K | A | -3.2452 | |
| 156 | G | A | 0.0000 | |
| 157 | P | A | -1.3515 | |
| 158 | G | A | -1.2812 | |
| 159 | E | A | -2.5600 | |
| 160 | T | A | -2.6478 | |
| 161 | D | A | -3.8521 | |
| 162 | E | A | -3.9605 | |
| 163 | S | A | -3.2654 | |
| 164 | H | A | -3.9162 | |
| 165 | K | A | -4.3442 | |
| 166 | E | A | -4.0344 | |
| 167 | S | A | -3.0040 | |
| 168 | S | A | -2.5040 | |
| 169 | Q | A | -2.8556 | |
| 170 | H | A | -2.1092 | |
| 171 | V | A | 0.0000 | |
| 172 | T | A | -1.3284 | |
| 173 | Q | A | -1.3624 | |
| 174 | L | A | -0.6493 | |
| 175 | V | A | 0.0000 | |
| 176 | L | A | 0.0238 | |
| 177 | S | A | -0.5137 | |
| 178 | N | A | -1.3593 | |
| 179 | K | A | -2.1178 | |
| 180 | S | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | C | A | 0.0000 | |
| 183 | I | A | 0.0000 | |
| 184 | M | A | 0.0000 | |
| 185 | Q | A | 0.0000 | |
| 186 | K | A | -1.1839 | |
| 187 | W | A | 0.1730 | |
| 188 | G | A | -0.5315 | |
| 189 | G | A | -0.3352 | |
| 190 | K | A | -0.4816 | |
| 191 | R | A | 0.0000 | |
| 192 | E | A | 0.0000 | |
| 193 | V | A | 0.0000 | |
| 194 | M | A | 0.0000 | |
| 195 | Y | A | 0.0000 | |
| 196 | T | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | F | A | 0.0000 | |
| 199 | R | A | -1.5959 | |
| 200 | A | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | G | A | -1.4041 | |
| 203 | R | A | -2.3377 | |
| 204 | S | A | -1.0513 | |
| 205 | V | A | 0.0000 | |
| 206 | D | A | -1.4960 | |
| 207 | Y | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | Q | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | C | A | 0.0000 | |
| 212 | D | A | -0.3574 | |
| 213 | S | A | 0.0000 | |
| 214 | D | A | 0.0000 | |
| 215 | T | A | 0.0000 | |
| 216 | M | A | 0.0000 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -0.4316 | |
| 219 | P | A | -0.3116 | |
| 220 | A | A | -0.2598 | |
| 221 | S | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | V | A | 0.1655 | |
| 224 | E | A | 0.0000 | |
| 225 | M | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | K | A | -0.9331 | |
| 228 | V | A | -0.9938 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -2.0118 | |
| 231 | E | A | -2.4704 | |
| 232 | D | A | -1.7758 | |
| 233 | P | A | -0.8216 | |
| 234 | M | A | 0.1222 | |
| 235 | V | A | 0.0000 | |
| 236 | G | A | 0.0000 | |
| 237 | G | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | G | A | 0.0000 | |
| 241 | D | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | Q | A | -0.5726 | |
| 244 | I | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | N | A | 0.0000 | |
| 247 | K | A | -0.5668 | |
| 248 | Y | A | -1.4341 | |
| 249 | D | A | -1.6259 | |
| 250 | S | A | -0.2963 | |
| 251 | W | A | 0.6019 | |
| 252 | I | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | L | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | S | A | -0.1375 | |
| 258 | V | A | 0.0000 | |
| 259 | R | A | -0.2937 | |
| 260 | Y | A | -0.0869 | |
| 261 | W | A | -0.2966 | |
| 262 | M | A | 0.0000 | |
| 263 | A | A | -0.2415 | |
| 264 | F | A | 0.0000 | |
| 265 | N | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | E | A | -0.5502 | |
| 268 | R | A | -0.4836 | |
| 269 | A | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | Q | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | Y | A | 0.4989 | |
| 274 | F | A | 0.3362 | |
| 275 | G | A | 0.0000 | |
| 276 | C | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | Q | A | -0.2718 | |
| 279 | C | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | S | A | -0.2596 | |
| 282 | G | A | 0.0000 | |
| 283 | P | A | -0.3340 | |
| 284 | L | A | 0.0000 | |
| 285 | G | A | 0.0000 | |
| 286 | M | A | 0.0000 | |
| 287 | Y | A | 0.0000 | |
| 288 | R | A | -0.5097 | |
| 289 | N | A | 0.0000 | |
| 290 | S | A | -1.2728 | |
| 291 | L | A | -0.8822 | |
| 292 | L | A | 0.0000 | |
| 293 | H | A | -2.0338 | |
| 294 | E | A | -2.2775 | |
| 295 | F | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | E | A | -2.5019 | |
| 298 | D | A | -3.0485 | |
| 299 | W | A | 0.0000 | |
| 300 | Y | A | -1.4821 | |
| 301 | N | A | -2.4170 | |
| 302 | Q | A | 0.0000 | |
| 303 | E | A | -2.8937 | |
| 304 | F | A | -1.3188 | |
| 305 | M | A | -0.3348 | |
| 306 | G | A | -1.3540 | |
| 307 | N | A | -2.6165 | |
| 308 | Q | A | -2.4972 | |
| 309 | C | A | -1.6527 | |
| 310 | S | A | -1.1169 | |
| 311 | F | A | 0.0000 | |
| 312 | G | A | 0.0000 | |
| 313 | D | A | 0.0000 | |
| 314 | D | A | -0.5719 | |
| 315 | R | A | -0.4145 | |
| 316 | H | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | T | A | 0.0000 | |
| 319 | N | A | 0.0000 | |
| 320 | R | A | -0.6452 | |
| 321 | V | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | S | A | 0.1868 | |
| 324 | L | A | 0.2416 | |
| 325 | G | A | 0.0469 | |
| 326 | Y | A | 0.4320 | |
| 327 | A | A | 0.0179 | |
| 328 | T | A | 0.0000 | |
| 329 | K | A | -0.1606 | |
| 330 | Y | A | 0.0000 | |
| 331 | T | A | 0.0000 | |
| 332 | A | A | -0.4782 | |
| 333 | R | A | -0.4638 | |
| 334 | S | A | 0.0000 | |
| 335 | K | A | -0.8842 | |
| 336 | C | A | 0.0000 | |
| 337 | L | A | -0.3001 | |
| 338 | T | A | 0.0000 | |
| 339 | E | A | -0.2744 | |
| 340 | T | A | 0.0000 | |
| 341 | P | A | 0.0000 | |
| 342 | I | A | -0.0420 | |
| 343 | E | A | -0.6112 | |
| 344 | Y | A | 0.0790 | |
| 345 | L | A | 0.6512 | |
| 346 | R | A | 0.3861 | |
| 347 | W | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | N | A | 0.1430 | |
| 350 | Q | A | -0.4419 | |
| 351 | Q | A | -0.3666 | |
| 352 | T | A | 0.0000 | |
| 353 | R | A | -0.3827 | |
| 354 | W | A | 0.0319 | |
| 355 | S | A | 0.1736 | |
| 356 | K | A | 0.0000 | |
| 357 | S | A | 0.0000 | |
| 358 | Y | A | 0.4866 | |
| 359 | F | A | 0.0000 | |
| 360 | R | A | 0.0000 | |
| 361 | E | A | 0.0000 | |
| 362 | W | A | 0.8383 | |
| 363 | L | A | 1.3020 | |
| 364 | Y | A | 1.0002 | |
| 365 | N | A | 0.0000 | |
| 366 | A | A | 0.8995 | |
| 367 | M | A | 1.2681 | |
| 368 | W | A | 0.0000 | |
| 369 | F | A | 0.0000 | |
| 370 | H | A | -0.2794 | |
| 371 | K | A | -1.0281 | |
| 372 | H | A | -0.9218 | |
| 373 | H | A | -0.6052 | |
| 374 | L | A | 0.4486 | |
| 375 | W | A | 0.0000 | |
| 376 | M | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | Y | A | 0.6070 | |
| 379 | E | A | 0.0000 | |
| 380 | A | A | 0.0000 | |
| 381 | I | A | 0.0000 | |
| 382 | I | A | 0.0000 | |
| 383 | T | A | 0.4742 | |
| 384 | G | A | 0.0000 | |
| 385 | F | A | 1.2450 | |
| 386 | F | A | 1.2919 | |
| 387 | P | A | 0.0000 | |
| 388 | F | A | 1.6831 | |
| 389 | F | A | 1.3156 | |
| 390 | L | A | 1.0259 | |
| 391 | I | A | 1.0567 | |
| 392 | A | A | 0.7220 | |
| 393 | T | A | 0.5076 | |
| 394 | V | A | 0.0000 | |
| 395 | I | A | 0.5467 | |
| 396 | Q | A | -0.4511 | |
| 397 | L | A | -0.2429 | |
| 398 | F | A | 0.0000 | |
| 399 | Y | A | 0.2576 | |
| 400 | R | A | -1.7655 | |
| 401 | G | A | -1.0993 | |
| 402 | K | A | -0.8542 | |
| 403 | I | A | 0.1595 | |
| 404 | W | A | 0.0000 | |
| 405 | N | A | 0.0517 | |
| 406 | I | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | L | A | 0.8331 | |
| 409 | F | A | 0.9203 | |
| 410 | L | A | 1.0766 | |
| 411 | L | A | 1.3192 | |
| 412 | T | A | 1.2387 | |
| 413 | V | A | 1.5455 | |
| 414 | Q | A | 0.0000 | |
| 415 | L | A | 2.2395 | |
| 416 | V | A | 1.9116 | |
| 417 | G | A | 1.2985 | |
| 418 | L | A | 1.8647 | |
| 419 | I | A | 2.5215 | |
| 420 | K | A | 1.0950 | |
| 421 | S | A | 0.0000 | |
| 422 | S | A | 1.1631 | |
| 423 | F | A | 1.1368 | |
| 424 | A | A | 0.0000 | |
| 425 | S | A | 0.5720 | |
| 426 | C | A | 0.5717 | |
| 427 | L | A | 0.1194 | |
| 428 | R | A | -1.2871 | |
| 429 | G | A | -0.7255 | |
| 430 | N | A | -0.2329 | |
| 431 | I | A | 1.6852 | |
| 432 | V | A | 0.9839 | |
| 433 | M | A | 0.0000 | |
| 434 | V | A | 1.1080 | |
| 435 | F | A | 0.0000 | |
| 436 | M | A | 0.0712 | |
| 437 | S | A | 0.0000 | |
| 438 | L | A | 0.0000 | |
| 439 | Y | A | 0.0000 | |
| 440 | S | A | 0.6700 | |
| 441 | V | A | 1.0897 | |
| 442 | L | A | 0.0000 | |
| 443 | Y | A | 0.5773 | |
| 444 | M | A | 0.6464 | |
| 445 | S | A | 0.6581 | |
| 446 | S | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | P | A | 0.0000 | |
| 450 | A | A | 0.0000 | |
| 451 | K | A | 0.3071 | |
| 452 | M | A | 0.7441 | |
| 453 | F | A | 0.9246 | |
| 454 | A | A | 0.0000 | |
| 455 | I | A | 0.7385 | |
| 456 | A | A | 0.2656 | |
| 457 | T | A | -0.2632 | |
| 458 | I | A | -0.2348 | |
| 459 | N | A | -1.7419 | |
| 460 | K | A | -1.8797 | |
| 461 | A | A | -1.4202 | |
| 462 | G | A | -0.8711 | |
| 463 | W | A | -0.3862 | |
| 464 | G | A | -0.6067 | |
| 465 | T | A | 0.1165 | |
| 466 | S | A | 0.5538 | |
| 467 | G | A | -0.4137 | |
| 468 | R | A | -1.0871 | |
| 469 | K | A | -1.6699 | |
| 470 | T | A | 0.3098 | |
| 471 | I | A | 2.0965 | |
| 472 | V | A | 3.1485 | |
| 473 | V | A | 3.3459 | |
| 474 | N | A | 2.2733 | |
| 475 | F | A | 3.0469 | |
| 476 | I | A | 2.2230 | |
| 477 | G | A | 0.0000 | |
| 478 | L | A | 2.0561 | |
| 479 | I | A | 2.7037 | |
| 480 | P | A | 0.0000 | |
| 481 | V | A | 0.0000 | |
| 482 | S | A | 1.8346 | |
| 483 | V | A | 2.7082 | |
| 484 | W | A | 0.0000 | |
| 485 | F | A | 2.6250 | |
| 486 | T | A | 2.0736 | |
| 487 | I | A | 2.2413 | |
| 488 | L | A | 2.6347 | |
| 489 | L | A | 3.1674 | |
| 490 | G | A | 2.2079 | |
| 491 | G | A | 0.0000 | |
| 492 | V | A | 2.9225 | |
| 493 | I | A | 3.7554 | |
| 494 | F | A | 2.7047 | |
| 495 | T | A | 0.0000 | |
| 496 | I | A | 2.3690 | |
| 497 | Y | A | 1.7307 | |
| 498 | K | A | -0.4218 | |
| 499 | E | A | 0.0000 | |
| 500 | S | A | -0.9355 | |
| 501 | K | A | -2.4568 | |
| 502 | R | A | -2.6593 | |
| 503 | P | A | -1.3819 | |
| 504 | F | A | -0.7053 | |
| 505 | S | A | -1.1746 | |
| 506 | E | A | -2.0329 | |
| 507 | S | A | -1.1963 | |
| 508 | K | A | -0.6389 | |
| 509 | Q | A | -0.6009 | |
| 510 | T | A | -0.0188 | |
| 511 | V | A | 0.8234 | |
| 512 | L | A | 0.0000 | |
| 513 | I | A | 2.5469 | |
| 514 | V | A | 2.9204 | |
| 515 | G | A | 0.0000 | |
| 516 | T | A | 2.4267 | |
| 517 | L | A | 3.4480 | |
| 518 | L | A | 3.2568 | |
| 519 | Y | A | 2.4869 | |
| 520 | A | A | 2.3025 | |
| 521 | C | A | 2.7510 | |
| 522 | Y | A | 0.0000 | |
| 523 | W | A | 2.2214 | |
| 524 | V | A | 2.8354 | |
| 525 | M | A | 2.1806 | |
| 526 | L | A | 0.0000 | |
| 527 | L | A | 2.4585 | |
| 528 | T | A | 2.1331 | |
| 529 | L | A | 2.2142 | |
| 530 | Y | A | 2.0232 | |
| 531 | V | A | 1.8926 | |
| 532 | V | A | 1.8419 | |
| 533 | L | A | 1.7691 | |
| 534 | I | A | 0.5700 | |
| 535 | N | A | -0.5118 | |
| 536 | K | A | -1.4867 | |
| 537 | C | A | -1.2341 | |
| 538 | G | A | 0.0000 | |
| 539 | R | A | -3.9903 | |
| 540 | R | A | -3.8959 | |
| 541 | K | A | -3.4518 | |
| 542 | K | A | -3.3977 | |
| 543 | G | A | -2.8099 | |
| 544 | Q | A | -2.8585 | |
| 545 | Q | A | -1.6689 | |
| 546 | Y | A | -1.2542 | |
| 547 | D | A | -2.0764 | |
| 548 | M | A | -0.4916 | |
| 549 | V | A | -0.0447 | |
| 550 | L | A | -0.2747 | |
| 551 | D | A | -0.7905 | |
| 552 | V | A | 0.9723 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | 0.0413 | 5.462 | View | CSV | PDB |
| 4.5 | -0.0019 | 5.462 | View | CSV | PDB |
| 5.0 | -0.0532 | 5.462 | View | CSV | PDB |
| 5.5 | -0.1025 | 5.462 | View | CSV | PDB |
| 6.0 | -0.1394 | 5.462 | View | CSV | PDB |
| 6.5 | -0.1556 | 5.462 | View | CSV | PDB |
| 7.0 | -0.1509 | 5.462 | View | CSV | PDB |
| 7.5 | -0.1322 | 5.4687 | View | CSV | PDB |
| 8.0 | -0.1059 | 5.5074 | View | CSV | PDB |
| 8.5 | -0.0744 | 5.5463 | View | CSV | PDB |
| 9.0 | -0.0366 | 5.5847 | 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