| Chain sequence(s) | MKQEGSARRRGADKAKPPPGGGEQEPPPPPAPQDVEMKEEAATGGGSTGEADGKTAAAAAEHSQRELDTVTLEDIKEHVKQLEKAVSGKEPRFVLRALRMLPSTSRRLNHYVLYKAVQGFFTSNNATRDFLLPFLEEPMDTEADLQFRPRTGKAASTPLLPEVEAYLQLLVVIFMMNSKRYKEAQKISDDLMQKISTQNRRALDLVAAKCYYYHARVYEFLDKLDVVRSFLHARLRTATLRHDADGQATLLNLLLRNYLHYSLYDQAEKLVSKSVFPEQANNNEWARYLYYTGRIKAIQLEYSEARRTMTNALRKAPQHTAVGFKQTVHKLLIVVELLLGEIPDRLQFRQPSLKRSLMPYFLLTQAVRTGNLAKFNQVLDQFGEKFQADGTYTLIIRLRHNVIKTGVRMISLSYSRISLADIAQKLQLDSPEDAEFIVAKAIRDGVIEASINHEKGYVQSKEMIDIYSTREPQLAFHQRISFCLDIHNMSVKAMRFPPKSYNKDLESAEERREREQQDLEFAKEMAEDDDDSFP 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] (00:00:05)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:05)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:05)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:05)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:15)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4b9c713c16c62/tmp/folded.pdb (00:22:05)
[INFO] Main: Simulation completed successfully. (00:27:33)
|
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 | -0.0018 | |
| 2 | K | A | -2.1434 | |
| 3 | Q | A | -2.7972 | |
| 4 | E | A | -3.0172 | |
| 5 | G | A | -1.7035 | |
| 6 | S | A | -1.1730 | |
| 7 | A | A | -1.4361 | |
| 8 | R | A | -3.2949 | |
| 9 | R | A | -3.8575 | |
| 10 | R | A | -3.3612 | |
| 11 | G | A | -2.2491 | |
| 12 | A | A | -1.9208 | |
| 13 | D | A | -2.6417 | |
| 14 | K | A | -2.8559 | |
| 15 | A | A | -1.9547 | |
| 16 | K | A | -2.2571 | |
| 17 | P | A | -1.3838 | |
| 18 | P | A | -1.0038 | |
| 19 | P | A | -0.9489 | |
| 20 | G | A | -1.0112 | |
| 21 | G | A | -1.5054 | |
| 22 | G | A | -1.9370 | |
| 23 | E | A | -3.1886 | |
| 24 | Q | A | -3.2106 | |
| 25 | E | A | -3.0478 | |
| 26 | P | A | -1.9489 | |
| 27 | P | A | -1.2169 | |
| 28 | P | A | -0.8458 | |
| 29 | P | A | -0.6392 | |
| 30 | P | A | -0.9781 | |
| 31 | A | A | -0.8381 | |
| 32 | P | A | -1.2693 | |
| 33 | Q | A | -2.1612 | |
| 34 | D | A | -2.4575 | |
| 35 | V | A | -1.2725 | |
| 36 | E | A | -3.0345 | |
| 37 | M | A | -2.1864 | |
| 38 | K | A | -3.2754 | |
| 39 | E | A | -3.6950 | |
| 40 | E | A | -3.3776 | |
| 41 | A | A | -2.2765 | |
| 42 | A | A | -1.7798 | |
| 43 | T | A | -1.8879 | |
| 44 | G | A | -1.7475 | |
| 45 | G | A | -1.2420 | |
| 46 | G | A | -1.0377 | |
| 47 | S | A | -1.1201 | |
| 48 | T | A | -1.0277 | |
| 49 | G | A | -1.7018 | |
| 50 | E | A | -2.5243 | |
| 51 | A | A | -2.3179 | |
| 52 | D | A | -2.8998 | |
| 53 | G | A | -2.3337 | |
| 54 | K | A | -2.3677 | |
| 55 | T | A | -1.5513 | |
| 56 | A | A | -0.9538 | |
| 57 | A | A | -0.8682 | |
| 58 | A | A | -1.2169 | |
| 59 | A | A | -1.1471 | |
| 60 | A | A | -1.3805 | |
| 61 | E | A | -2.5255 | |
| 62 | H | A | -2.6830 | |
| 63 | S | A | -2.2167 | |
| 64 | Q | A | -2.4471 | |
| 65 | R | A | -2.6993 | |
| 66 | E | A | -2.6134 | |
| 67 | L | A | -1.5171 | |
| 68 | D | A | 0.0000 | |
| 69 | T | A | -0.8776 | |
| 70 | V | A | -0.5632 | |
| 71 | T | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | E | A | -2.3116 | |
| 74 | D | A | -2.0538 | |
| 75 | I | A | 0.0000 | |
| 76 | K | A | -2.5388 | |
| 77 | E | A | -2.9890 | |
| 78 | H | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | K | A | -3.0797 | |
| 81 | Q | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | E | A | -2.5465 | |
| 84 | K | A | -3.0116 | |
| 85 | A | A | 0.0000 | |
| 86 | V | A | -2.0298 | |
| 87 | S | A | -1.7840 | |
| 88 | G | A | -2.3710 | |
| 89 | K | A | -3.2765 | |
| 90 | E | A | -2.9070 | |
| 91 | P | A | -2.3203 | |
| 92 | R | A | -2.7794 | |
| 93 | F | A | -2.3673 | |
| 94 | V | A | 0.0000 | |
| 95 | L | A | -1.5170 | |
| 96 | R | A | -2.3870 | |
| 97 | A | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | R | A | -2.1760 | |
| 100 | M | A | -1.1195 | |
| 101 | L | A | 0.0000 | |
| 102 | P | A | -1.1073 | |
| 103 | S | A | -1.2792 | |
| 104 | T | A | 0.0000 | |
| 105 | S | A | -1.5467 | |
| 106 | R | A | -2.7293 | |
| 107 | R | A | -2.0672 | |
| 108 | L | A | 0.0000 | |
| 109 | N | A | -0.6999 | |
| 110 | H | A | -0.7200 | |
| 111 | Y | A | 0.2398 | |
| 112 | V | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | Y | A | 0.0000 | |
| 115 | K | A | -0.6573 | |
| 116 | A | A | 0.0000 | |
| 117 | V | A | 0.0000 | |
| 118 | Q | A | -1.1581 | |
| 119 | G | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | F | A | 0.0000 | |
| 122 | T | A | -0.9878 | |
| 123 | S | A | -1.1679 | |
| 124 | N | A | -1.9803 | |
| 125 | N | A | -1.3052 | |
| 126 | A | A | -0.6291 | |
| 127 | T | A | -0.3646 | |
| 128 | R | A | -0.9153 | |
| 129 | D | A | -0.7920 | |
| 130 | F | A | 1.0811 | |
| 131 | L | A | 0.0000 | |
| 132 | L | A | -0.3730 | |
| 133 | P | A | -0.3693 | |
| 134 | F | A | -0.3102 | |
| 135 | L | A | 0.0000 | |
| 136 | E | A | -2.3457 | |
| 137 | E | A | -2.5052 | |
| 138 | P | A | -1.2834 | |
| 139 | M | A | -0.8621 | |
| 140 | D | A | -2.0282 | |
| 141 | T | A | -1.7686 | |
| 142 | E | A | -2.4554 | |
| 143 | A | A | -1.8553 | |
| 144 | D | A | -2.1876 | |
| 145 | L | A | -1.2313 | |
| 146 | Q | A | -1.8715 | |
| 147 | F | A | -1.6391 | |
| 148 | R | A | -2.1947 | |
| 149 | P | A | -1.6299 | |
| 150 | R | A | -1.2603 | |
| 151 | T | A | -1.2593 | |
| 152 | G | A | -1.3928 | |
| 153 | K | A | -2.0375 | |
| 154 | A | A | -1.1103 | |
| 155 | A | A | -1.1704 | |
| 156 | S | A | -1.0153 | |
| 157 | T | A | -0.6917 | |
| 158 | P | A | -0.2737 | |
| 159 | L | A | -0.0456 | |
| 160 | L | A | 0.1554 | |
| 161 | P | A | -0.2150 | |
| 162 | E | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | E | A | -0.2813 | |
| 165 | A | A | 0.0000 | |
| 166 | Y | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | Q | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | M | A | 0.0000 | |
| 176 | M | A | -1.7214 | |
| 177 | N | A | -2.3162 | |
| 178 | S | A | -1.9244 | |
| 179 | K | A | -3.0197 | |
| 180 | R | A | -3.3867 | |
| 181 | Y | A | -2.4329 | |
| 182 | K | A | -2.9426 | |
| 183 | E | A | -2.6954 | |
| 184 | A | A | 0.0000 | |
| 185 | Q | A | -2.0255 | |
| 186 | K | A | -2.1688 | |
| 187 | I | A | 0.0000 | |
| 188 | S | A | 0.0000 | |
| 189 | D | A | -1.4461 | |
| 190 | D | A | -1.1071 | |
| 191 | L | A | 0.0000 | |
| 192 | M | A | 0.0000 | |
| 193 | Q | A | -1.7739 | |
| 194 | K | A | -1.5819 | |
| 195 | I | A | 0.0000 | |
| 196 | S | A | -1.2564 | |
| 197 | T | A | -1.3132 | |
| 198 | Q | A | -2.0157 | |
| 199 | N | A | -2.4722 | |
| 200 | R | A | -2.2651 | |
| 201 | R | A | -2.6847 | |
| 202 | A | A | -1.5990 | |
| 203 | L | A | 0.0000 | |
| 204 | D | A | 0.0000 | |
| 205 | L | A | -0.2479 | |
| 206 | V | A | 0.0000 | |
| 207 | A | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | K | A | -0.3034 | |
| 210 | C | A | 0.0000 | |
| 211 | Y | A | 0.0000 | |
| 212 | Y | A | -0.0726 | |
| 213 | Y | A | -0.2523 | |
| 214 | H | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | R | A | -0.8830 | |
| 217 | V | A | 0.0000 | |
| 218 | Y | A | 0.0000 | |
| 219 | E | A | -1.7544 | |
| 220 | F | A | -0.4879 | |
| 221 | L | A | -1.3205 | |
| 222 | D | A | -2.6621 | |
| 223 | K | A | -2.6134 | |
| 224 | L | A | 0.0000 | |
| 225 | D | A | -1.6748 | |
| 226 | V | A | 0.2826 | |
| 227 | V | A | 0.0000 | |
| 228 | R | A | -0.4177 | |
| 229 | S | A | 0.0502 | |
| 230 | F | A | 0.5264 | |
| 231 | L | A | 0.0000 | |
| 232 | H | A | -0.5834 | |
| 233 | A | A | -0.5267 | |
| 234 | R | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | R | A | -1.6051 | |
| 237 | T | A | -0.7864 | |
| 238 | A | A | 0.0000 | |
| 239 | T | A | -0.3717 | |
| 240 | L | A | 0.3918 | |
| 241 | R | A | -1.0949 | |
| 242 | H | A | -1.0021 | |
| 243 | D | A | -1.1657 | |
| 244 | A | A | -1.2822 | |
| 245 | D | A | -1.0392 | |
| 246 | G | A | 0.0000 | |
| 247 | Q | A | -0.4176 | |
| 248 | A | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | N | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | L | A | 0.0000 | |
| 255 | L | A | 0.0000 | |
| 256 | R | A | -1.3971 | |
| 257 | N | A | 0.0000 | |
| 258 | Y | A | 0.0000 | |
| 259 | L | A | -0.5160 | |
| 260 | H | A | -1.0812 | |
| 261 | Y | A | -0.2073 | |
| 262 | S | A | -0.2870 | |
| 263 | L | A | -0.1288 | |
| 264 | Y | A | -1.1612 | |
| 265 | D | A | -2.5991 | |
| 266 | Q | A | -1.9741 | |
| 267 | A | A | 0.0000 | |
| 268 | E | A | -2.6303 | |
| 269 | K | A | -2.9589 | |
| 270 | L | A | 0.0000 | |
| 271 | V | A | -1.0834 | |
| 272 | S | A | -1.3148 | |
| 273 | K | A | -1.7879 | |
| 274 | S | A | -0.2267 | |
| 275 | V | A | 1.2114 | |
| 276 | F | A | 0.2693 | |
| 277 | P | A | -0.9549 | |
| 278 | E | A | -2.3016 | |
| 279 | Q | A | -2.3437 | |
| 280 | A | A | 0.0000 | |
| 281 | N | A | -1.7559 | |
| 282 | N | A | -2.1429 | |
| 283 | N | A | -1.6286 | |
| 284 | E | A | -1.2092 | |
| 285 | W | A | -1.3637 | |
| 286 | A | A | 0.0000 | |
| 287 | R | A | -1.0123 | |
| 288 | Y | A | 0.0000 | |
| 289 | L | A | -0.4640 | |
| 290 | Y | A | 0.0000 | |
| 291 | Y | A | 0.0000 | |
| 292 | T | A | 0.0000 | |
| 293 | G | A | 0.0000 | |
| 294 | R | A | -0.6602 | |
| 295 | I | A | 0.0000 | |
| 296 | K | A | -1.3628 | |
| 297 | A | A | 0.0000 | |
| 298 | I | A | -0.1883 | |
| 299 | Q | A | -1.2481 | |
| 300 | L | A | 0.0654 | |
| 301 | E | A | -1.5290 | |
| 302 | Y | A | -1.0359 | |
| 303 | S | A | -1.3689 | |
| 304 | E | A | -2.1652 | |
| 305 | A | A | 0.0000 | |
| 306 | R | A | -1.9942 | |
| 307 | R | A | -2.5361 | |
| 308 | T | A | 0.0000 | |
| 309 | M | A | 0.0000 | |
| 310 | T | A | -1.6433 | |
| 311 | N | A | -1.9581 | |
| 312 | A | A | 0.0000 | |
| 313 | L | A | -1.5319 | |
| 314 | R | A | -2.5516 | |
| 315 | K | A | -2.3431 | |
| 316 | A | A | 0.0000 | |
| 317 | P | A | -1.4677 | |
| 318 | Q | A | -1.8704 | |
| 319 | H | A | -1.3090 | |
| 320 | T | A | -0.4614 | |
| 321 | A | A | 0.2204 | |
| 322 | V | A | 0.9174 | |
| 323 | G | A | 0.3804 | |
| 324 | F | A | 0.2853 | |
| 325 | K | A | -0.1593 | |
| 326 | Q | A | -0.2507 | |
| 327 | T | A | -0.1734 | |
| 328 | V | A | 0.0000 | |
| 329 | H | A | 0.0000 | |
| 330 | K | A | -0.3370 | |
| 331 | L | A | 0.0000 | |
| 332 | L | A | 0.0000 | |
| 333 | I | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | E | A | -0.3147 | |
| 337 | L | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | L | A | -0.1052 | |
| 340 | G | A | -0.5294 | |
| 341 | E | A | -0.9969 | |
| 342 | I | A | -0.7171 | |
| 343 | P | A | 0.0000 | |
| 344 | D | A | -2.5375 | |
| 345 | R | A | -2.5035 | |
| 346 | L | A | -1.2176 | |
| 347 | Q | A | -1.7760 | |
| 348 | F | A | 0.0000 | |
| 349 | R | A | -2.9951 | |
| 350 | Q | A | -2.3126 | |
| 351 | P | A | -2.0602 | |
| 352 | S | A | -1.4428 | |
| 353 | L | A | 0.0000 | |
| 354 | K | A | -3.1951 | |
| 355 | R | A | -2.6742 | |
| 356 | S | A | -1.4732 | |
| 357 | L | A | 0.0000 | |
| 358 | M | A | -0.1606 | |
| 359 | P | A | 0.0000 | |
| 360 | Y | A | 0.0000 | |
| 361 | F | A | 0.2511 | |
| 362 | L | A | 0.3632 | |
| 363 | L | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | Q | A | -0.6791 | |
| 366 | A | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | R | A | -1.1401 | |
| 369 | T | A | -0.7951 | |
| 370 | G | A | 0.0000 | |
| 371 | N | A | -1.3951 | |
| 372 | L | A | -1.0700 | |
| 373 | A | A | -0.9735 | |
| 374 | K | A | -1.5548 | |
| 375 | F | A | 0.0000 | |
| 376 | N | A | -1.8324 | |
| 377 | Q | A | -2.5080 | |
| 378 | V | A | 0.0000 | |
| 379 | L | A | -1.6290 | |
| 380 | D | A | -3.1174 | |
| 381 | Q | A | -2.7604 | |
| 382 | F | A | -2.0768 | |
| 383 | G | A | -2.4693 | |
| 384 | E | A | -3.2214 | |
| 385 | K | A | -2.6026 | |
| 386 | F | A | 0.0000 | |
| 387 | Q | A | -2.2931 | |
| 388 | A | A | -1.6936 | |
| 389 | D | A | -1.5022 | |
| 390 | G | A | -1.3283 | |
| 391 | T | A | 0.0000 | |
| 392 | Y | A | -0.0374 | |
| 393 | T | A | 0.4468 | |
| 394 | L | A | 0.0000 | |
| 395 | I | A | 0.0000 | |
| 396 | I | A | 1.1006 | |
| 397 | R | A | -0.5054 | |
| 398 | L | A | 0.0000 | |
| 399 | R | A | -1.6845 | |
| 400 | H | A | -1.6101 | |
| 401 | N | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | I | A | -0.6395 | |
| 404 | K | A | -1.1237 | |
| 405 | T | A | 0.0000 | |
| 406 | G | A | 0.0000 | |
| 407 | V | A | 0.0000 | |
| 408 | R | A | -0.0992 | |
| 409 | M | A | 0.7361 | |
| 410 | I | A | 0.0000 | |
| 411 | S | A | 0.0404 | |
| 412 | L | A | 1.5738 | |
| 413 | S | A | 0.7239 | |
| 414 | Y | A | 0.4270 | |
| 415 | S | A | -1.3338 | |
| 416 | R | A | -2.0973 | |
| 417 | I | A | -1.0275 | |
| 418 | S | A | -1.2524 | |
| 419 | L | A | 0.0000 | |
| 420 | A | A | -1.9004 | |
| 421 | D | A | -2.4994 | |
| 422 | I | A | 0.0000 | |
| 423 | A | A | 0.0000 | |
| 424 | Q | A | -3.2064 | |
| 425 | K | A | -3.0755 | |
| 426 | L | A | 0.0000 | |
| 427 | Q | A | -2.6373 | |
| 428 | L | A | -2.2519 | |
| 429 | D | A | -2.7096 | |
| 430 | S | A | -2.3187 | |
| 431 | P | A | -2.1179 | |
| 432 | E | A | -2.4575 | |
| 433 | D | A | -1.9373 | |
| 434 | A | A | 0.0000 | |
| 435 | E | A | -1.0491 | |
| 436 | F | A | 0.1177 | |
| 437 | I | A | -0.5765 | |
| 438 | V | A | 0.0000 | |
| 439 | A | A | -0.9678 | |
| 440 | K | A | -2.3403 | |
| 441 | A | A | 0.0000 | |
| 442 | I | A | -1.8398 | |
| 443 | R | A | -3.3643 | |
| 444 | D | A | -3.1808 | |
| 445 | G | A | -2.2180 | |
| 446 | V | A | -1.5093 | |
| 447 | I | A | 0.0000 | |
| 448 | E | A | -2.7581 | |
| 449 | A | A | -2.1007 | |
| 450 | S | A | -1.2960 | |
| 451 | I | A | -1.0461 | |
| 452 | N | A | -1.9154 | |
| 453 | H | A | -2.5478 | |
| 454 | E | A | -3.1867 | |
| 455 | K | A | -2.9692 | |
| 456 | G | A | -2.1972 | |
| 457 | Y | A | -1.7605 | |
| 458 | V | A | 0.0000 | |
| 459 | Q | A | -2.3287 | |
| 460 | S | A | -2.1994 | |
| 461 | K | A | -3.0523 | |
| 462 | E | A | -2.0546 | |
| 463 | M | A | 0.3924 | |
| 464 | I | A | 1.4316 | |
| 465 | D | A | 0.2146 | |
| 466 | I | A | 0.9656 | |
| 467 | Y | A | 0.7071 | |
| 468 | S | A | -0.0655 | |
| 469 | T | A | -0.7640 | |
| 470 | R | A | -2.2478 | |
| 471 | E | A | -1.7795 | |
| 472 | P | A | -0.5977 | |
| 473 | Q | A | -1.1215 | |
| 474 | L | A | -0.3792 | |
| 475 | A | A | -0.4875 | |
| 476 | F | A | 0.6528 | |
| 477 | H | A | -0.6293 | |
| 478 | Q | A | -0.9729 | |
| 479 | R | A | -0.7329 | |
| 480 | I | A | 0.8546 | |
| 481 | S | A | 0.5717 | |
| 482 | F | A | 1.5784 | |
| 483 | C | A | 1.4836 | |
| 484 | L | A | 1.5882 | |
| 485 | D | A | 0.3484 | |
| 486 | I | A | 1.3303 | |
| 487 | H | A | 0.0260 | |
| 488 | N | A | -0.2441 | |
| 489 | M | A | 0.3434 | |
| 490 | S | A | 0.2079 | |
| 491 | V | A | -0.1318 | |
| 492 | K | A | -0.6399 | |
| 493 | A | A | 0.2269 | |
| 494 | M | A | 0.6446 | |
| 495 | R | A | -0.6287 | |
| 496 | F | A | 0.7313 | |
| 497 | P | A | -0.1061 | |
| 498 | P | A | -1.0539 | |
| 499 | K | A | -2.1719 | |
| 500 | S | A | -1.8626 | |
| 501 | Y | A | -0.9344 | |
| 502 | N | A | -2.3594 | |
| 503 | K | A | -2.9789 | |
| 504 | D | A | -2.3759 | |
| 505 | L | A | -1.1023 | |
| 506 | E | A | -2.4577 | |
| 507 | S | A | -2.8381 | |
| 508 | A | A | -2.5849 | |
| 509 | E | A | -4.8878 | |
| 510 | E | A | -5.5173 | |
| 511 | R | A | -5.8556 | |
| 512 | R | A | -6.6496 | |
| 513 | E | A | -6.4401 | |
| 514 | R | A | -6.2538 | |
| 515 | E | A | -5.7498 | |
| 516 | Q | A | -4.8382 | |
| 517 | Q | A | -4.2086 | |
| 518 | D | A | -3.6271 | |
| 519 | L | A | -1.6338 | |
| 520 | E | A | -2.2087 | |
| 521 | F | A | -0.5731 | |
| 522 | A | A | -0.8606 | |
| 523 | K | A | -2.6477 | |
| 524 | E | A | -3.0269 | |
| 525 | M | A | -1.7731 | |
| 526 | A | A | -3.1513 | |
| 527 | E | A | -4.7529 | |
| 528 | D | A | -5.0078 | |
| 529 | D | A | -4.5528 | |
| 530 | D | A | -4.1197 | |
| 531 | D | A | -3.7130 | |
| 532 | S | A | -1.8048 | |
| 533 | F | A | 0.6148 | |
| 534 | P | A | 0.3572 |
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 | -0.9638 | 4.7129 | View | CSV | PDB |
| 4.5 | -1.0629 | 4.7129 | View | CSV | PDB |
| 5.0 | -1.1878 | 4.7129 | View | CSV | PDB |
| 5.5 | -1.3145 | 4.7129 | View | CSV | PDB |
| 6.0 | -1.4196 | 4.7129 | View | CSV | PDB |
| 6.5 | -1.4875 | 4.7129 | View | CSV | PDB |
| 7.0 | -1.5163 | 4.7129 | View | CSV | PDB |
| 7.5 | -1.5168 | 4.7129 | View | CSV | PDB |
| 8.0 | -1.5016 | 4.7129 | View | CSV | PDB |
| 8.5 | -1.4752 | 4.7129 | View | CSV | PDB |
| 9.0 | -1.4365 | 4.7129 | 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