| Chain sequence(s) | MKGELLCVLLLCGVAFTLPDQGIHRRFRRGARSYRATCRDEQTQTTYQQHQSWLRPMLRGNRVEYCRCNSGLAQCHSVPVRSCSEPRCFNGGTCQQALYFSDFVCQCPDGFVGKRCDIDTRATCFEGQGITYRGTWSTAENGAECINWNSSALSQKPYSARRPNAIKLGLGNHNYCRNPDRDVKPWCYVFKAGKYTTEFCSTPACPKGPTEDCYVGKGVTYRGTHSFTTSKASCLPWNSMILIGKTYTAWRANSQALGLGRHNYCRNPDGDAKPWCHVMKDRKLTWEYCDMSPCSTCGLRQYKQPQFRIKGGLFTDITSHPWQAAIFVKNKRSPGERFLCGGVLISSCWVLSAAHCFVERFPPHHLKVVLGRTYRVVPGEEEQTFEIEKYIVHKEFDDDTYDNDIALLQLRSDSSQCAQESSSVGTACLPDPDVQLPDWTECELSGYGKHEASSPFFSDRLKEAHVRLYPSSRCTSQHLFNKTITSNMLCAGDTRTGGNQDVHDACQGDSGGPLVCMIDKRMTLLGIISWGLGCGQKDVPGIYTKVTNYLNWIQDNMKQ 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] (00:00:00)
[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 (00:14:27)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/61d1be34b6fd6e/tmp/folded.pdb (00:14:27)
[INFO] Main: Simulation completed successfully. (00:22:06)
|
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 | 0.1282 | |
| 2 | K | A | -1.6901 | |
| 3 | G | A | -1.6717 | |
| 4 | E | A | -1.1445 | |
| 5 | L | A | 1.4073 | |
| 6 | L | A | 2.6608 | |
| 7 | C | A | 3.2008 | |
| 8 | V | A | 4.0704 | |
| 9 | L | A | 3.7993 | |
| 10 | L | A | 3.7865 | |
| 11 | L | A | 3.3025 | |
| 12 | C | A | 2.3215 | |
| 13 | G | A | 1.5439 | |
| 14 | V | A | 2.3997 | |
| 15 | A | A | 2.0186 | |
| 16 | F | A | 2.6735 | |
| 17 | T | A | 1.5645 | |
| 18 | L | A | 1.3427 | |
| 19 | P | A | -0.5342 | |
| 20 | D | A | -2.0597 | |
| 21 | Q | A | -1.8395 | |
| 22 | G | A | -1.1018 | |
| 23 | I | A | -0.0021 | |
| 24 | H | A | -1.4856 | |
| 25 | R | A | -2.3813 | |
| 26 | R | A | -2.6291 | |
| 27 | F | A | -1.1416 | |
| 28 | R | A | -2.7176 | |
| 29 | R | A | -3.0118 | |
| 30 | G | A | -2.1357 | |
| 31 | A | A | -1.6800 | |
| 32 | R | A | -2.2215 | |
| 33 | S | A | -1.0979 | |
| 34 | Y | A | -0.3128 | |
| 35 | R | A | -1.8813 | |
| 36 | A | A | -0.9736 | |
| 37 | T | A | -1.4241 | |
| 38 | C | A | 0.0000 | |
| 39 | R | A | -2.7197 | |
| 40 | D | A | 0.0000 | |
| 41 | E | A | -3.2422 | |
| 42 | Q | A | -2.3870 | |
| 43 | T | A | -2.0930 | |
| 44 | Q | A | -2.4748 | |
| 45 | T | A | 0.0000 | |
| 46 | T | A | -1.6461 | |
| 47 | Y | A | 0.0000 | |
| 48 | Q | A | -2.6270 | |
| 49 | Q | A | -2.1853 | |
| 50 | H | A | -2.4075 | |
| 51 | Q | A | -2.2677 | |
| 52 | S | A | -1.8212 | |
| 53 | W | A | 0.0000 | |
| 54 | L | A | 0.0000 | |
| 55 | R | A | -1.1650 | |
| 56 | P | A | 0.0000 | |
| 57 | M | A | -0.9025 | |
| 58 | L | A | -0.0268 | |
| 59 | R | A | -1.8470 | |
| 60 | G | A | -2.1575 | |
| 61 | N | A | -2.7165 | |
| 62 | R | A | -2.7395 | |
| 63 | V | A | 0.0000 | |
| 64 | E | A | -1.1156 | |
| 65 | Y | A | -0.7794 | |
| 66 | C | A | 0.0000 | |
| 67 | R | A | -2.4586 | |
| 68 | C | A | 0.0000 | |
| 69 | N | A | -1.4779 | |
| 70 | S | A | -0.8743 | |
| 71 | G | A | -0.8228 | |
| 72 | L | A | 0.4470 | |
| 73 | A | A | -0.9041 | |
| 74 | Q | A | -1.2926 | |
| 75 | C | A | -0.8848 | |
| 76 | H | A | -1.2705 | |
| 77 | S | A | -0.9058 | |
| 78 | V | A | -0.2137 | |
| 79 | P | A | -0.5007 | |
| 80 | V | A | -0.8622 | |
| 81 | R | A | -1.9315 | |
| 82 | S | A | -1.2682 | |
| 83 | C | A | -1.1460 | |
| 84 | S | A | -1.1565 | |
| 85 | E | A | -1.2957 | |
| 86 | P | A | -0.8393 | |
| 87 | R | A | -1.1686 | |
| 88 | C | A | 0.0000 | |
| 89 | F | A | -0.6240 | |
| 90 | N | A | -0.9164 | |
| 91 | G | A | -0.7636 | |
| 92 | G | A | -0.6438 | |
| 93 | T | A | -0.3840 | |
| 94 | C | A | -0.8217 | |
| 95 | Q | A | -1.3918 | |
| 96 | Q | A | -0.8627 | |
| 97 | A | A | 0.0000 | |
| 98 | L | A | 0.7733 | |
| 99 | Y | A | 1.7179 | |
| 100 | F | A | 0.9950 | |
| 101 | S | A | -0.1222 | |
| 102 | D | A | -0.8300 | |
| 103 | F | A | -0.9886 | |
| 104 | V | A | 0.0000 | |
| 105 | C | A | 0.0000 | |
| 106 | Q | A | -0.7323 | |
| 107 | C | A | -0.7006 | |
| 108 | P | A | -1.1284 | |
| 109 | D | A | -2.0495 | |
| 110 | G | A | -1.4389 | |
| 111 | F | A | 0.0000 | |
| 112 | V | A | -0.7626 | |
| 113 | G | A | 0.0000 | |
| 114 | K | A | -1.9383 | |
| 115 | R | A | -1.2994 | |
| 116 | C | A | 0.0000 | |
| 117 | D | A | -0.8723 | |
| 118 | I | A | 0.0000 | |
| 119 | D | A | -1.0756 | |
| 120 | T | A | -1.2198 | |
| 121 | R | A | -2.1602 | |
| 122 | A | A | -0.9284 | |
| 123 | T | A | -0.4832 | |
| 124 | C | A | -0.3512 | |
| 125 | F | A | 0.0000 | |
| 126 | E | A | -1.7840 | |
| 127 | G | A | -1.3424 | |
| 128 | Q | A | -1.4846 | |
| 129 | G | A | 0.0000 | |
| 130 | I | A | -0.8130 | |
| 131 | T | A | -0.8379 | |
| 132 | Y | A | 0.0000 | |
| 133 | R | A | -0.4720 | |
| 134 | G | A | 0.0000 | |
| 135 | T | A | -0.2224 | |
| 136 | W | A | 0.0418 | |
| 137 | S | A | -0.4946 | |
| 138 | T | A | -1.3169 | |
| 139 | A | A | 0.0000 | |
| 140 | E | A | -2.5931 | |
| 141 | N | A | -2.2598 | |
| 142 | G | A | -1.9509 | |
| 143 | A | A | -1.6200 | |
| 144 | E | A | -1.9414 | |
| 145 | C | A | 0.0000 | |
| 146 | I | A | -0.1438 | |
| 147 | N | A | -1.0605 | |
| 148 | W | A | 0.0000 | |
| 149 | N | A | -1.9114 | |
| 150 | S | A | -1.0598 | |
| 151 | S | A | -1.0207 | |
| 152 | A | A | -0.7043 | |
| 153 | L | A | 0.0000 | |
| 154 | S | A | -1.6898 | |
| 155 | Q | A | -1.8502 | |
| 156 | K | A | -1.5671 | |
| 157 | P | A | -1.1997 | |
| 158 | Y | A | -1.0542 | |
| 159 | S | A | 0.0000 | |
| 160 | A | A | -1.7344 | |
| 161 | R | A | -2.8143 | |
| 162 | R | A | -2.1183 | |
| 163 | P | A | -1.3786 | |
| 164 | N | A | -1.3718 | |
| 165 | A | A | 0.0000 | |
| 166 | I | A | -0.7045 | |
| 167 | K | A | -1.5656 | |
| 168 | L | A | -0.6310 | |
| 169 | G | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | G | A | -1.2609 | |
| 172 | N | A | -1.4994 | |
| 173 | H | A | -0.8837 | |
| 174 | N | A | -0.8717 | |
| 175 | Y | A | -0.2628 | |
| 176 | C | A | 0.0000 | |
| 177 | R | A | 0.0000 | |
| 178 | N | A | 0.0000 | |
| 179 | P | A | 0.0000 | |
| 180 | D | A | -1.9799 | |
| 181 | R | A | -2.5607 | |
| 182 | D | A | -1.4810 | |
| 183 | V | A | 0.3720 | |
| 184 | K | A | -0.5273 | |
| 185 | P | A | 0.0000 | |
| 186 | W | A | 0.0000 | |
| 187 | C | A | 0.0000 | |
| 188 | Y | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | F | A | 0.7047 | |
| 191 | K | A | -0.6788 | |
| 192 | A | A | -0.6886 | |
| 193 | G | A | -1.0246 | |
| 194 | K | A | -1.4596 | |
| 195 | Y | A | -0.1659 | |
| 196 | T | A | -0.3127 | |
| 197 | T | A | -0.1482 | |
| 198 | E | A | -0.7290 | |
| 199 | F | A | -0.2564 | |
| 200 | C | A | 0.0000 | |
| 201 | S | A | -1.0063 | |
| 202 | T | A | 0.0000 | |
| 203 | P | A | -0.2254 | |
| 204 | A | A | -0.7876 | |
| 205 | C | A | -0.8387 | |
| 206 | P | A | -1.3092 | |
| 207 | K | A | -2.2893 | |
| 208 | G | A | -1.9022 | |
| 209 | P | A | -1.6589 | |
| 210 | T | A | -1.8006 | |
| 211 | E | A | -2.4246 | |
| 212 | D | A | -2.0766 | |
| 213 | C | A | -1.0181 | |
| 214 | Y | A | 0.0000 | |
| 215 | V | A | 1.1775 | |
| 216 | G | A | -0.3238 | |
| 217 | K | A | -1.5534 | |
| 218 | G | A | 0.0000 | |
| 219 | V | A | 0.2990 | |
| 220 | T | A | 0.1812 | |
| 221 | Y | A | 0.0000 | |
| 222 | R | A | -1.2710 | |
| 223 | G | A | -1.3717 | |
| 224 | T | A | -0.9878 | |
| 225 | H | A | -0.6370 | |
| 226 | S | A | -0.2251 | |
| 227 | F | A | -0.2343 | |
| 228 | T | A | 0.0000 | |
| 229 | T | A | -1.2257 | |
| 230 | S | A | -1.2662 | |
| 231 | K | A | -1.9330 | |
| 232 | A | A | -0.9521 | |
| 233 | S | A | -0.2730 | |
| 234 | C | A | 0.0000 | |
| 235 | L | A | 0.3253 | |
| 236 | P | A | -0.2535 | |
| 237 | W | A | 0.0000 | |
| 238 | N | A | -0.0577 | |
| 239 | S | A | 0.3775 | |
| 240 | M | A | 1.2384 | |
| 241 | I | A | 1.5800 | |
| 242 | L | A | 0.0000 | |
| 243 | I | A | 0.7331 | |
| 244 | G | A | -0.5108 | |
| 245 | K | A | -1.0555 | |
| 246 | T | A | -0.8110 | |
| 247 | Y | A | -0.5359 | |
| 248 | T | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | W | A | -0.5505 | |
| 251 | R | A | -1.1977 | |
| 252 | A | A | -0.8973 | |
| 253 | N | A | -1.2603 | |
| 254 | S | A | 0.0000 | |
| 255 | Q | A | -1.2787 | |
| 256 | A | A | -0.5643 | |
| 257 | L | A | -0.4721 | |
| 258 | G | A | -0.6284 | |
| 259 | L | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | R | A | -0.8526 | |
| 262 | H | A | -0.6697 | |
| 263 | N | A | -0.3811 | |
| 264 | Y | A | -0.2814 | |
| 265 | C | A | 0.0000 | |
| 266 | R | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | P | A | 0.0000 | |
| 269 | D | A | -1.3183 | |
| 270 | G | A | -1.1454 | |
| 271 | D | A | -1.2199 | |
| 272 | A | A | -0.9697 | |
| 273 | K | A | -1.0860 | |
| 274 | P | A | 0.0000 | |
| 275 | W | A | 0.0000 | |
| 276 | C | A | 0.0000 | |
| 277 | H | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | M | A | -1.2607 | |
| 280 | K | A | -2.5505 | |
| 281 | D | A | -3.4798 | |
| 282 | R | A | -3.6163 | |
| 283 | K | A | -3.1276 | |
| 284 | L | A | -0.9677 | |
| 285 | T | A | -0.5945 | |
| 286 | W | A | 0.3785 | |
| 287 | E | A | -0.2015 | |
| 288 | Y | A | -0.0978 | |
| 289 | C | A | 0.0000 | |
| 290 | D | A | -1.9288 | |
| 291 | M | A | -1.1480 | |
| 292 | S | A | -0.7988 | |
| 293 | P | A | -0.4711 | |
| 294 | C | A | -0.0533 | |
| 295 | S | A | -0.0004 | |
| 296 | T | A | 0.0342 | |
| 297 | C | A | 0.0973 | |
| 298 | G | A | 0.0000 | |
| 299 | L | A | 0.3729 | |
| 300 | R | A | -0.6457 | |
| 301 | Q | A | -0.9913 | |
| 302 | Y | A | -0.0603 | |
| 303 | K | A | -1.5790 | |
| 304 | Q | A | -1.6874 | |
| 305 | P | A | -1.1752 | |
| 306 | Q | A | -0.8812 | |
| 307 | F | A | 0.6861 | |
| 308 | R | A | -1.1972 | |
| 309 | I | A | -0.3062 | |
| 310 | K | A | -2.2752 | |
| 311 | G | A | -1.8072 | |
| 312 | G | A | 0.0000 | |
| 313 | L | A | 0.1075 | |
| 314 | F | A | 0.9555 | |
| 315 | T | A | 0.0000 | |
| 316 | D | A | -0.4237 | |
| 317 | I | A | 0.0000 | |
| 318 | T | A | -0.5436 | |
| 319 | S | A | 0.0000 | |
| 320 | H | A | 0.0000 | |
| 321 | P | A | 0.0000 | |
| 322 | W | A | 0.0000 | |
| 323 | Q | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | F | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | K | A | -3.1451 | |
| 330 | N | A | -3.3490 | |
| 331 | K | A | -3.3960 | |
| 332 | R | A | -3.2607 | |
| 333 | S | A | -2.5000 | |
| 334 | P | A | -1.9809 | |
| 335 | G | A | -2.2431 | |
| 336 | E | A | -2.2649 | |
| 337 | R | A | -2.3993 | |
| 338 | F | A | 0.0000 | |
| 339 | L | A | -0.4931 | |
| 340 | C | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | G | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | S | A | -0.0732 | |
| 347 | S | A | -0.8753 | |
| 348 | C | A | -0.7120 | |
| 349 | W | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | A | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | H | A | -0.2975 | |
| 356 | C | A | 0.0000 | |
| 357 | F | A | 0.0000 | |
| 358 | V | A | -0.3042 | |
| 359 | E | A | -2.0108 | |
| 360 | R | A | -2.1186 | |
| 361 | F | A | -1.4501 | |
| 362 | P | A | -1.3931 | |
| 363 | P | A | -1.9554 | |
| 364 | H | A | -2.2455 | |
| 365 | H | A | -1.8490 | |
| 366 | L | A | 0.0000 | |
| 367 | K | A | -1.7979 | |
| 368 | V | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | G | A | 0.0000 | |
| 372 | R | A | 0.0000 | |
| 373 | T | A | 0.0040 | |
| 374 | Y | A | 0.8724 | |
| 375 | R | A | 0.8999 | |
| 376 | V | A | 2.2381 | |
| 377 | V | A | 2.1746 | |
| 378 | P | A | 0.2519 | |
| 379 | G | A | -1.1885 | |
| 380 | E | A | -2.7626 | |
| 381 | E | A | -2.9409 | |
| 382 | E | A | -1.9184 | |
| 383 | Q | A | -1.1960 | |
| 384 | T | A | -0.7120 | |
| 385 | F | A | -1.3992 | |
| 386 | E | A | -3.0325 | |
| 387 | I | A | 0.0000 | |
| 388 | E | A | -2.8133 | |
| 389 | K | A | -2.0984 | |
| 390 | Y | A | -0.6179 | |
| 391 | I | A | 0.0395 | |
| 392 | V | A | -0.1007 | |
| 393 | H | A | -1.2222 | |
| 394 | K | A | -2.5009 | |
| 395 | E | A | -2.9145 | |
| 396 | F | A | -2.0210 | |
| 397 | D | A | -2.8189 | |
| 398 | D | A | -2.9286 | |
| 399 | D | A | -2.9165 | |
| 400 | T | A | -1.6601 | |
| 401 | Y | A | -1.2756 | |
| 402 | D | A | -1.3242 | |
| 403 | N | A | -1.4076 | |
| 404 | D | A | 0.0000 | |
| 405 | I | A | 0.0000 | |
| 406 | A | A | 0.0000 | |
| 407 | L | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | Q | A | -1.3746 | |
| 410 | L | A | 0.0000 | |
| 411 | R | A | -3.2651 | |
| 412 | S | A | -2.3919 | |
| 413 | D | A | -2.4111 | |
| 414 | S | A | -1.6575 | |
| 415 | S | A | -1.2529 | |
| 416 | Q | A | -1.7672 | |
| 417 | C | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | Q | A | -2.3397 | |
| 420 | E | A | -2.6046 | |
| 421 | S | A | -1.7233 | |
| 422 | S | A | -1.0202 | |
| 423 | S | A | 0.0000 | |
| 424 | V | A | 0.0000 | |
| 425 | G | A | -0.7818 | |
| 426 | T | A | -0.1520 | |
| 427 | A | A | 0.0000 | |
| 428 | C | A | 0.0000 | |
| 429 | L | A | 0.1111 | |
| 430 | P | A | 0.0000 | |
| 431 | D | A | -2.3680 | |
| 432 | P | A | -2.1932 | |
| 433 | D | A | -2.5847 | |
| 434 | V | A | -1.6677 | |
| 435 | Q | A | -1.9202 | |
| 436 | L | A | -1.1043 | |
| 437 | P | A | -1.4017 | |
| 438 | D | A | -2.1162 | |
| 439 | W | A | -1.0956 | |
| 440 | T | A | -1.2685 | |
| 441 | E | A | -2.0614 | |
| 442 | C | A | 0.0000 | |
| 443 | E | A | -0.6915 | |
| 444 | L | A | 0.0000 | |
| 445 | S | A | 0.0000 | |
| 446 | G | A | 0.0000 | |
| 447 | Y | A | 0.0000 | |
| 448 | G | A | 0.0000 | |
| 449 | K | A | -1.0837 | |
| 450 | H | A | -1.8948 | |
| 451 | E | A | -2.2658 | |
| 452 | A | A | -1.2923 | |
| 453 | S | A | -0.8877 | |
| 454 | S | A | 0.0000 | |
| 455 | P | A | 0.3819 | |
| 456 | F | A | 1.5089 | |
| 457 | F | A | 0.5482 | |
| 458 | S | A | 0.0000 | |
| 459 | D | A | 0.1807 | |
| 460 | R | A | -0.1688 | |
| 461 | L | A | 0.0000 | |
| 462 | K | A | -0.2154 | |
| 463 | E | A | -0.1891 | |
| 464 | A | A | -0.6638 | |
| 465 | H | A | -1.2952 | |
| 466 | V | A | 0.0000 | |
| 467 | R | A | -1.4064 | |
| 468 | L | A | -0.7709 | |
| 469 | Y | A | -1.0021 | |
| 470 | P | A | -1.2529 | |
| 471 | S | A | -1.0853 | |
| 472 | S | A | -1.1976 | |
| 473 | R | A | -2.1635 | |
| 474 | C | A | -1.0904 | |
| 475 | T | A | -1.2391 | |
| 476 | S | A | -1.3355 | |
| 477 | Q | A | -1.7292 | |
| 478 | H | A | -1.5314 | |
| 479 | L | A | 0.0000 | |
| 480 | F | A | 0.5622 | |
| 481 | N | A | -1.3507 | |
| 482 | K | A | -1.4752 | |
| 483 | T | A | -0.8555 | |
| 484 | I | A | -0.3220 | |
| 485 | T | A | -0.2235 | |
| 486 | S | A | -0.4769 | |
| 487 | N | A | -0.6773 | |
| 488 | M | A | 0.0000 | |
| 489 | L | A | -0.0227 | |
| 490 | C | A | 0.0000 | |
| 491 | A | A | 0.0000 | |
| 492 | G | A | 0.0000 | |
| 493 | D | A | 0.0000 | |
| 494 | T | A | -0.9622 | |
| 495 | R | A | -1.3918 | |
| 496 | T | A | -1.7379 | |
| 497 | G | A | -1.6961 | |
| 498 | G | A | -1.9802 | |
| 499 | N | A | -3.0076 | |
| 500 | Q | A | -3.0648 | |
| 501 | D | A | -3.1267 | |
| 502 | V | A | -2.3422 | |
| 503 | H | A | 0.0000 | |
| 504 | D | A | -1.1321 | |
| 505 | A | A | -0.8889 | |
| 506 | C | A | 0.0000 | |
| 507 | Q | A | -1.7440 | |
| 508 | G | A | -0.5072 | |
| 509 | D | A | -0.5811 | |
| 510 | S | A | -0.3907 | |
| 511 | G | A | 0.0000 | |
| 512 | G | A | 0.0000 | |
| 513 | P | A | 0.0000 | |
| 514 | L | A | 0.0000 | |
| 515 | V | A | 0.0000 | |
| 516 | C | A | 0.0000 | |
| 517 | M | A | -0.1233 | |
| 518 | I | A | -0.5979 | |
| 519 | D | A | -2.3128 | |
| 520 | K | A | -2.2254 | |
| 521 | R | A | -1.0850 | |
| 522 | M | A | 0.0000 | |
| 523 | T | A | 0.0000 | |
| 524 | L | A | 0.0000 | |
| 525 | L | A | 0.0000 | |
| 526 | G | A | 0.0000 | |
| 527 | I | A | 0.0000 | |
| 528 | I | A | 0.0000 | |
| 529 | S | A | 0.0000 | |
| 530 | W | A | -0.1108 | |
| 531 | G | A | -0.4431 | |
| 532 | L | A | 0.0423 | |
| 533 | G | A | -1.0006 | |
| 534 | C | A | -1.3406 | |
| 535 | G | A | -2.0506 | |
| 536 | Q | A | -2.5428 | |
| 537 | K | A | -3.0560 | |
| 538 | D | A | -2.7043 | |
| 539 | V | A | -1.3825 | |
| 540 | P | A | 0.0000 | |
| 541 | G | A | 0.0000 | |
| 542 | I | A | 0.0000 | |
| 543 | Y | A | 0.0000 | |
| 544 | T | A | 0.0000 | |
| 545 | K | A | -0.7899 | |
| 546 | V | A | 0.0000 | |
| 547 | T | A | -1.3330 | |
| 548 | N | A | -1.1067 | |
| 549 | Y | A | 0.0000 | |
| 550 | L | A | -1.3840 | |
| 551 | N | A | -2.1284 | |
| 552 | W | A | -1.4656 | |
| 553 | I | A | 0.0000 | |
| 554 | Q | A | -2.8354 | |
| 555 | D | A | -3.3463 | |
| 556 | N | A | -2.2667 | |
| 557 | M | A | -2.0636 | |
| 558 | K | A | -3.0300 | |
| 559 | Q | A | -2.5025 |
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 | -0.6386 | 5.6061 | View | CSV | PDB |
| 4.5 | -0.696 | 5.6061 | View | CSV | PDB |
| 5.0 | -0.7639 | 5.6061 | View | CSV | PDB |
| 5.5 | -0.8303 | 5.6061 | View | CSV | PDB |
| 6.0 | -0.8836 | 5.6061 | View | CSV | PDB |
| 6.5 | -0.9166 | 5.6061 | View | CSV | PDB |
| 7.0 | -0.9305 | 5.6061 | View | CSV | PDB |
| 7.5 | -0.9317 | 5.6061 | View | CSV | PDB |
| 8.0 | -0.9251 | 5.6061 | View | CSV | PDB |
| 8.5 | -0.9109 | 5.6061 | View | CSV | PDB |
| 9.0 | -0.8874 | 5.6061 | 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