| Chain sequence(s) | MASNDYTQQATQSYGAYPTQPGQGYSQQSSQPYGQQSYSGYGQSADTSGYGQSSYGSSYGQTQNTGYGTQSAPQGYGSTGGYGSSQSSQSSYGQQSSYPGYGQQPAPSSTSGSYGGSSQSSSYGQPQSGGYGQQSGYGGQQQSYGQQQSSYNPPQGYGQQNQYNSSSGGGGGGGGGNYGQDQSSMSGGGGGGGYGNQDQSGGGGGGYGGGQQDRGGRGRGGGGGYNRSSGGYEPRGRGGGRGGRGGMGGSDRGGFNKFGGPRDQGSRHDSEQDNSDNNTIFVQGLGENVTIESVADYFKQIGIIKTNKKTGQPMINLYTDRETGKLKGEATVSFDDPPSAKAAIDWFDGKEFSGNPIKVSFATRRADFNRGGGNGRGGRGRGGPMGRGGYGGGGSGGGGRGGFPSGGGGGGGQQRAGDWKCPNPTCENMNFSWRNECNQCKAPKPDGPGGGPGGSHMGGNYGDDRRGRGGYDRGGYRGRGGDRGGFRGGRGGGDRGGFGPGKMDSRGEHRQDRRERPY 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/205385464189d5/tmp/folded.pdb (00:03:54)
[INFO] Main: Simulation completed successfully. (00:08:12)
|
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 | 0.9034 | |
| 2 | A | A | 0.0231 | |
| 3 | S | A | -0.9768 | |
| 4 | N | A | -1.8293 | |
| 5 | D | A | -1.9427 | |
| 6 | Y | A | -0.1630 | |
| 7 | T | A | -0.9044 | |
| 8 | Q | A | -1.7059 | |
| 9 | Q | A | -1.9083 | |
| 10 | A | A | -1.0779 | |
| 11 | T | A | -1.1193 | |
| 12 | Q | A | -1.2183 | |
| 13 | S | A | -0.2843 | |
| 14 | Y | A | 0.8392 | |
| 15 | G | A | 0.4372 | |
| 16 | A | A | 0.6731 | |
| 17 | Y | A | 1.0952 | |
| 18 | P | A | 0.0515 | |
| 19 | T | A | -0.5813 | |
| 20 | Q | A | -1.4982 | |
| 21 | P | A | -1.3533 | |
| 22 | G | A | -1.5682 | |
| 23 | Q | A | -1.5457 | |
| 24 | G | A | -0.5641 | |
| 25 | Y | A | 0.4886 | |
| 26 | S | A | -0.5207 | |
| 27 | Q | A | -1.7789 | |
| 28 | Q | A | -2.0799 | |
| 29 | S | A | -1.4596 | |
| 30 | S | A | -1.2323 | |
| 31 | Q | A | -1.2416 | |
| 32 | P | A | -0.3174 | |
| 33 | Y | A | 0.5459 | |
| 34 | G | A | -0.4473 | |
| 35 | Q | A | -1.5654 | |
| 36 | Q | A | -1.6540 | |
| 37 | S | A | -0.6231 | |
| 38 | Y | A | 0.6129 | |
| 39 | S | A | 0.3053 | |
| 40 | G | A | 0.3513 | |
| 41 | Y | A | 0.5335 | |
| 42 | G | A | -0.5617 | |
| 43 | Q | A | -1.2576 | |
| 44 | S | A | -1.2588 | |
| 45 | A | A | -1.1601 | |
| 46 | D | A | -1.8882 | |
| 47 | T | A | -1.2593 | |
| 48 | S | A | -0.5947 | |
| 49 | G | A | -0.0907 | |
| 50 | Y | A | 0.5305 | |
| 51 | G | A | -0.6961 | |
| 52 | Q | A | -1.3756 | |
| 53 | S | A | -0.6900 | |
| 54 | S | A | 0.0740 | |
| 55 | Y | A | 0.8814 | |
| 56 | G | A | -0.0142 | |
| 57 | S | A | 0.0025 | |
| 58 | S | A | 0.2059 | |
| 59 | Y | A | 0.7066 | |
| 60 | G | A | -0.4671 | |
| 61 | Q | A | -1.4817 | |
| 62 | T | A | -1.6943 | |
| 63 | Q | A | -2.1349 | |
| 64 | N | A | -1.9976 | |
| 65 | T | A | -0.8649 | |
| 66 | G | A | -0.2318 | |
| 67 | Y | A | 0.8428 | |
| 68 | G | A | -0.1981 | |
| 69 | T | A | -0.6638 | |
| 70 | Q | A | -1.4223 | |
| 71 | S | A | -0.8694 | |
| 72 | A | A | -0.6521 | |
| 73 | P | A | -0.9462 | |
| 74 | Q | A | -1.2911 | |
| 75 | G | A | -0.6966 | |
| 76 | Y | A | 0.5309 | |
| 77 | G | A | 0.0560 | |
| 78 | S | A | -0.3082 | |
| 79 | T | A | -0.6039 | |
| 80 | G | A | -0.5196 | |
| 81 | G | A | -0.1834 | |
| 82 | Y | A | 0.6886 | |
| 83 | G | A | 0.0442 | |
| 84 | S | A | -0.4814 | |
| 85 | S | A | -1.0353 | |
| 86 | Q | A | -1.4881 | |
| 87 | S | A | -1.2010 | |
| 88 | S | A | -1.1672 | |
| 89 | Q | A | -1.4948 | |
| 90 | S | A | -0.6289 | |
| 91 | S | A | 0.0398 | |
| 92 | Y | A | 0.6733 | |
| 93 | G | A | -0.8447 | |
| 94 | Q | A | -1.7973 | |
| 95 | Q | A | -2.0222 | |
| 96 | S | A | -0.8819 | |
| 97 | S | A | 0.0141 | |
| 98 | Y | A | 0.9458 | |
| 99 | P | A | 0.3923 | |
| 100 | G | A | 0.2548 | |
| 101 | Y | A | 0.5518 | |
| 102 | G | A | -0.8935 | |
| 103 | Q | A | -1.8097 | |
| 104 | Q | A | -1.9768 | |
| 105 | P | A | -1.1677 | |
| 106 | A | A | -0.4858 | |
| 107 | P | A | -0.4368 | |
| 108 | S | A | -0.4420 | |
| 109 | S | A | -0.4515 | |
| 110 | T | A | -0.4171 | |
| 111 | S | A | -0.5640 | |
| 112 | G | A | -0.4241 | |
| 113 | S | A | 0.0431 | |
| 114 | Y | A | 0.7535 | |
| 115 | G | A | -0.0359 | |
| 116 | G | A | -0.5547 | |
| 117 | S | A | -0.9258 | |
| 118 | S | A | -1.0394 | |
| 119 | Q | A | -1.5094 | |
| 120 | S | A | -1.1048 | |
| 121 | S | A | -0.4057 | |
| 122 | S | A | 0.1432 | |
| 123 | Y | A | 0.6345 | |
| 124 | G | A | -0.4873 | |
| 125 | Q | A | -1.4897 | |
| 126 | P | A | -1.5265 | |
| 127 | Q | A | -1.7456 | |
| 128 | S | A | -1.1630 | |
| 129 | G | A | -0.7616 | |
| 130 | G | A | -0.1932 | |
| 131 | Y | A | 0.5129 | |
| 132 | G | A | -0.8746 | |
| 133 | Q | A | -1.7957 | |
| 134 | Q | A | -2.0801 | |
| 135 | S | A | -1.0576 | |
| 136 | G | A | -0.3453 | |
| 137 | Y | A | 0.6822 | |
| 138 | G | A | -0.2932 | |
| 139 | G | A | -1.2308 | |
| 140 | Q | A | -2.4411 | |
| 141 | Q | A | -2.6003 | |
| 142 | Q | A | -1.9166 | |
| 143 | S | A | -0.5276 | |
| 144 | Y | A | 0.2889 | |
| 145 | G | A | -0.5566 | |
| 146 | Q | A | -2.0306 | |
| 147 | Q | A | -2.4199 | |
| 148 | Q | A | -2.2022 | |
| 149 | S | A | -0.8502 | |
| 150 | S | A | -0.2461 | |
| 151 | Y | A | 0.4585 | |
| 152 | N | A | -1.0105 | |
| 153 | P | A | -0.9824 | |
| 154 | P | A | -1.1016 | |
| 155 | Q | A | -1.5165 | |
| 156 | G | A | -0.5659 | |
| 157 | Y | A | 0.3021 | |
| 158 | G | A | -0.9213 | |
| 159 | Q | A | -1.9670 | |
| 160 | Q | A | -2.7677 | |
| 161 | N | A | -2.4485 | |
| 162 | Q | A | -1.7898 | |
| 163 | Y | A | -0.2945 | |
| 164 | N | A | -0.9365 | |
| 165 | S | A | -0.6783 | |
| 166 | S | A | -0.7701 | |
| 167 | S | A | -0.6929 | |
| 168 | G | A | -0.9844 | |
| 169 | G | A | -1.1089 | |
| 170 | G | A | -1.1591 | |
| 171 | G | A | -1.1598 | |
| 172 | G | A | -1.1675 | |
| 173 | G | A | -1.1913 | |
| 174 | G | A | -1.1667 | |
| 175 | G | A | -1.3650 | |
| 176 | G | A | -1.2732 | |
| 177 | N | A | -1.1246 | |
| 178 | Y | A | 0.1446 | |
| 179 | G | A | -1.1699 | |
| 180 | Q | A | -2.3583 | |
| 181 | D | A | -3.1831 | |
| 182 | Q | A | -2.5296 | |
| 183 | S | A | -1.1052 | |
| 184 | S | A | -0.1009 | |
| 185 | M | A | 0.6891 | |
| 186 | S | A | -0.0063 | |
| 187 | G | A | -0.7769 | |
| 188 | G | A | -1.1183 | |
| 189 | G | A | -1.2153 | |
| 190 | G | A | -1.2261 | |
| 191 | G | A | -1.1675 | |
| 192 | G | A | -0.8338 | |
| 193 | G | A | -0.1313 | |
| 194 | Y | A | 0.4759 | |
| 195 | G | A | -0.8321 | |
| 196 | N | A | -2.4607 | |
| 197 | Q | A | -3.1313 | |
| 198 | D | A | -3.3129 | |
| 199 | Q | A | -2.6771 | |
| 200 | S | A | -1.5231 | |
| 201 | G | A | -1.2375 | |
| 202 | G | A | -1.1612 | |
| 203 | G | A | -1.1814 | |
| 204 | G | A | -1.2518 | |
| 205 | G | A | -0.8677 | |
| 206 | G | A | -0.2397 | |
| 207 | Y | A | 0.6709 | |
| 208 | G | A | -0.4301 | |
| 209 | G | A | -0.9496 | |
| 210 | G | A | -1.9787 | |
| 211 | Q | A | -2.5824 | |
| 212 | Q | A | -3.2670 | |
| 213 | D | A | -3.7515 | |
| 214 | R | A | -3.2826 | |
| 215 | G | A | -2.4619 | |
| 216 | G | A | -2.1617 | |
| 217 | R | A | -2.8979 | |
| 218 | G | A | -2.6226 | |
| 219 | R | A | -2.9022 | |
| 220 | G | A | -2.1840 | |
| 221 | G | A | -1.5860 | |
| 222 | G | A | -1.1730 | |
| 223 | G | A | -0.8182 | |
| 224 | G | A | -0.4962 | |
| 225 | Y | A | -0.0851 | |
| 226 | N | A | -1.5678 | |
| 227 | R | A | -2.3452 | |
| 228 | S | A | -1.7596 | |
| 229 | S | A | -1.0905 | |
| 230 | G | A | -0.6247 | |
| 231 | G | A | -0.5610 | |
| 232 | Y | A | 0.0329 | |
| 233 | E | A | -1.7933 | |
| 234 | P | A | -1.9231 | |
| 235 | R | A | -2.9779 | |
| 236 | G | A | -2.5539 | |
| 237 | R | A | -2.8355 | |
| 238 | G | A | -1.8388 | |
| 239 | G | A | -1.8826 | |
| 240 | G | A | -2.0303 | |
| 241 | R | A | -2.5741 | |
| 242 | G | A | -2.3635 | |
| 243 | G | A | -2.2996 | |
| 244 | R | A | -2.5566 | |
| 245 | G | A | -1.6221 | |
| 246 | G | A | -0.6472 | |
| 247 | M | A | 0.3784 | |
| 248 | G | A | -0.3334 | |
| 249 | G | A | -1.2705 | |
| 250 | S | A | -1.8985 | |
| 251 | D | A | -2.9056 | |
| 252 | R | A | -2.8622 | |
| 253 | G | A | -1.8728 | |
| 254 | G | A | -1.0060 | |
| 255 | F | A | 0.2314 | |
| 256 | N | A | -0.8701 | |
| 257 | K | A | -0.9163 | |
| 258 | F | A | 0.4850 | |
| 259 | G | A | -0.3503 | |
| 260 | G | A | -1.3256 | |
| 261 | P | A | -1.9461 | |
| 262 | R | A | -3.3919 | |
| 263 | D | A | -3.7804 | |
| 264 | Q | A | -3.5660 | |
| 265 | G | A | -2.6031 | |
| 266 | S | A | -2.6710 | |
| 267 | R | A | -3.4980 | |
| 268 | H | A | -3.3375 | |
| 269 | D | A | -3.8360 | |
| 270 | S | A | -3.3172 | |
| 271 | E | A | -3.7322 | |
| 272 | Q | A | -3.3774 | |
| 273 | D | A | -3.5204 | |
| 274 | N | A | -2.6955 | |
| 275 | S | A | -2.1594 | |
| 276 | D | A | -2.7747 | |
| 277 | N | A | 0.0000 | |
| 278 | N | A | -2.0752 | |
| 279 | T | A | -1.2053 | |
| 280 | I | A | 0.0000 | |
| 281 | F | A | -0.3153 | |
| 282 | V | A | 0.0000 | |
| 283 | Q | A | -1.6660 | |
| 284 | G | A | -2.1566 | |
| 285 | L | A | 0.0000 | |
| 286 | G | A | -2.2925 | |
| 287 | E | A | -3.2428 | |
| 288 | N | A | -2.5373 | |
| 289 | V | A | 0.0000 | |
| 290 | T | A | -1.0716 | |
| 291 | I | A | -0.9807 | |
| 292 | E | A | -2.2729 | |
| 293 | S | A | -1.5495 | |
| 294 | V | A | 0.0000 | |
| 295 | A | A | -1.9194 | |
| 296 | D | A | -2.9059 | |
| 297 | Y | A | -1.6323 | |
| 298 | F | A | 0.0000 | |
| 299 | K | A | -2.1137 | |
| 300 | Q | A | -1.7672 | |
| 301 | I | A | -0.1756 | |
| 302 | G | A | -0.5831 | |
| 303 | I | A | 0.2910 | |
| 304 | I | A | 0.0000 | |
| 305 | K | A | -1.7021 | |
| 306 | T | A | -1.5583 | |
| 307 | N | A | -2.1888 | |
| 308 | K | A | -3.0241 | |
| 309 | K | A | -2.9403 | |
| 310 | T | A | -2.0117 | |
| 311 | G | A | -2.1367 | |
| 312 | Q | A | -2.2486 | |
| 313 | P | A | -1.2830 | |
| 314 | M | A | -0.8334 | |
| 315 | I | A | 0.0000 | |
| 316 | N | A | -0.8160 | |
| 317 | L | A | -0.4446 | |
| 318 | Y | A | -1.1017 | |
| 319 | T | A | -2.3947 | |
| 320 | D | A | -3.0616 | |
| 321 | R | A | -3.5898 | |
| 322 | E | A | -3.2961 | |
| 323 | T | A | -2.5623 | |
| 324 | G | A | -2.7867 | |
| 325 | K | A | -3.6130 | |
| 326 | L | A | -2.7169 | |
| 327 | K | A | -3.1344 | |
| 328 | G | A | 0.0000 | |
| 329 | E | A | -1.3614 | |
| 330 | A | A | 0.0000 | |
| 331 | T | A | -0.3608 | |
| 332 | V | A | 0.0000 | |
| 333 | S | A | -0.7060 | |
| 334 | F | A | 0.0000 | |
| 335 | D | A | -2.4030 | |
| 336 | D | A | -2.8962 | |
| 337 | P | A | -2.4863 | |
| 338 | P | A | -1.7849 | |
| 339 | S | A | -1.4337 | |
| 340 | A | A | 0.0000 | |
| 341 | K | A | -1.8105 | |
| 342 | A | A | -0.6976 | |
| 343 | A | A | 0.0000 | |
| 344 | I | A | -1.3603 | |
| 345 | D | A | -1.9063 | |
| 346 | W | A | -0.3983 | |
| 347 | F | A | 0.0000 | |
| 348 | D | A | -3.4520 | |
| 349 | G | A | -3.0129 | |
| 350 | K | A | -3.1612 | |
| 351 | E | A | -3.5549 | |
| 352 | F | A | 0.0000 | |
| 353 | S | A | -1.4007 | |
| 354 | G | A | -1.7663 | |
| 355 | N | A | -2.3861 | |
| 356 | P | A | -2.7933 | |
| 357 | I | A | 0.0000 | |
| 358 | K | A | -3.2966 | |
| 359 | V | A | 0.0000 | |
| 360 | S | A | -1.0605 | |
| 361 | F | A | -0.5678 | |
| 362 | A | A | 0.0000 | |
| 363 | T | A | -1.4896 | |
| 364 | R | A | -2.7065 | |
| 365 | R | A | -2.9855 | |
| 366 | A | A | -2.3001 | |
| 367 | D | A | -2.8354 | |
| 368 | F | A | -1.0015 | |
| 369 | N | A | -2.3875 | |
| 370 | R | A | -2.8871 | |
| 371 | G | A | -2.0603 | |
| 372 | G | A | -1.7891 | |
| 373 | G | A | -2.1462 | |
| 374 | N | A | -2.5194 | |
| 375 | G | A | -2.3257 | |
| 376 | R | A | -3.0879 | |
| 377 | G | A | -2.4391 | |
| 378 | G | A | -2.2397 | |
| 379 | R | A | -2.9853 | |
| 380 | G | A | -2.5302 | |
| 381 | R | A | -2.7651 | |
| 382 | G | A | -1.8131 | |
| 383 | G | A | -1.1093 | |
| 384 | P | A | -0.1916 | |
| 385 | M | A | 0.1079 | |
| 386 | G | A | -0.9717 | |
| 387 | R | A | -2.2078 | |
| 388 | G | A | -1.4710 | |
| 389 | G | A | -0.5626 | |
| 390 | Y | A | 0.6625 | |
| 391 | G | A | -0.2850 | |
| 392 | G | A | -0.7601 | |
| 393 | G | A | -1.0625 | |
| 394 | G | A | -0.9768 | |
| 395 | S | A | -0.8715 | |
| 396 | G | A | -1.0310 | |
| 397 | G | A | -1.0994 | |
| 398 | G | A | -1.4423 | |
| 399 | G | A | -1.9686 | |
| 400 | R | A | -2.3556 | |
| 401 | G | A | -1.2817 | |
| 402 | G | A | -0.4077 | |
| 403 | F | A | 1.1889 | |
| 404 | P | A | 0.2466 | |
| 405 | S | A | -0.2307 | |
| 406 | G | A | -0.7415 | |
| 407 | G | A | -1.1322 | |
| 408 | G | A | -1.1745 | |
| 409 | G | A | -1.2267 | |
| 410 | G | A | -1.3253 | |
| 411 | G | A | -1.6118 | |
| 412 | G | A | -1.8503 | |
| 413 | Q | A | -2.4716 | |
| 414 | Q | A | -2.4738 | |
| 415 | R | A | -1.8675 | |
| 416 | A | A | -1.0270 | |
| 417 | G | A | -0.7057 | |
| 418 | D | A | -0.7159 | |
| 419 | W | A | 0.0000 | |
| 420 | K | A | -2.2454 | |
| 421 | C | A | 0.0000 | |
| 422 | P | A | -1.5174 | |
| 423 | N | A | -1.6944 | |
| 424 | P | A | -1.3407 | |
| 425 | T | A | -0.8082 | |
| 426 | C | A | -1.8254 | |
| 427 | E | A | -2.6308 | |
| 428 | N | A | -1.8023 | |
| 429 | M | A | -1.1345 | |
| 430 | N | A | 0.0000 | |
| 431 | F | A | 0.5867 | |
| 432 | S | A | 0.0241 | |
| 433 | W | A | 0.7546 | |
| 434 | R | A | -0.6605 | |
| 435 | N | A | -2.1985 | |
| 436 | E | A | -2.7383 | |
| 437 | C | A | 0.0000 | |
| 438 | N | A | -2.4909 | |
| 439 | Q | A | -2.5677 | |
| 440 | C | A | -2.1832 | |
| 441 | K | A | -2.9991 | |
| 442 | A | A | -2.0046 | |
| 443 | P | A | -2.0381 | |
| 444 | K | A | -2.3712 | |
| 445 | P | A | -2.0864 | |
| 446 | D | A | -2.4830 | |
| 447 | G | A | -1.8125 | |
| 448 | P | A | -1.2882 | |
| 449 | G | A | -1.3289 | |
| 450 | G | A | -1.4783 | |
| 451 | G | A | -1.5788 | |
| 452 | P | A | -0.9855 | |
| 453 | G | A | -1.1244 | |
| 454 | G | A | -1.0683 | |
| 455 | S | A | -0.7994 | |
| 456 | H | A | -0.8696 | |
| 457 | M | A | 0.0932 | |
| 458 | G | A | -0.7926 | |
| 459 | G | A | -1.0626 | |
| 460 | N | A | -1.1387 | |
| 461 | Y | A | -0.0315 | |
| 462 | G | A | -1.4754 | |
| 463 | D | A | -2.9662 | |
| 464 | D | A | -4.1667 | |
| 465 | R | A | -4.1579 | |
| 466 | R | A | -3.8529 | |
| 467 | G | A | -3.2140 | |
| 468 | R | A | -2.8066 | |
| 469 | G | A | -1.8412 | |
| 470 | G | A | -1.0071 | |
| 471 | Y | A | -0.3759 | |
| 472 | D | A | -2.3802 | |
| 473 | R | A | -2.7410 | |
| 474 | G | A | -1.7959 | |
| 475 | G | A | -1.1392 | |
| 476 | Y | A | -0.1013 | |
| 477 | R | A | -1.9038 | |
| 478 | G | A | -2.0905 | |
| 479 | R | A | -2.7874 | |
| 480 | G | A | -2.1671 | |
| 481 | G | A | -2.3786 | |
| 482 | D | A | -3.0983 | |
| 483 | R | A | -2.9139 | |
| 484 | G | A | -1.7832 | |
| 485 | G | A | -0.6698 | |
| 486 | F | A | 0.4196 | |
| 487 | R | A | -1.4529 | |
| 488 | G | A | -1.7085 | |
| 489 | G | A | -2.3095 | |
| 490 | R | A | -2.5416 | |
| 491 | G | A | -1.8323 | |
| 492 | G | A | -1.7908 | |
| 493 | G | A | -2.0884 | |
| 494 | D | A | -3.1097 | |
| 495 | R | A | -3.1441 | |
| 496 | G | A | -1.5354 | |
| 497 | G | A | -0.2840 | |
| 498 | F | A | 1.2696 | |
| 499 | G | A | -0.1579 | |
| 500 | P | A | -0.6331 | |
| 501 | G | A | -1.3059 | |
| 502 | K | A | -2.0560 | |
| 503 | M | A | -1.3293 | |
| 504 | D | A | -2.9070 | |
| 505 | S | A | -2.9212 | |
| 506 | R | A | -3.9106 | |
| 507 | G | A | -3.5539 | |
| 508 | E | A | -4.7823 | |
| 509 | H | A | -5.1482 | |
| 510 | R | A | -5.5911 | |
| 511 | Q | A | -5.7234 | |
| 512 | D | A | -5.6163 | |
| 513 | R | A | -5.7595 | |
| 514 | R | A | -5.5684 | |
| 515 | E | A | -4.4300 | |
| 516 | R | A | -3.5290 | |
| 517 | P | A | -1.1476 | |
| 518 | Y | A | 0.4753 |
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 | -0.8057 | 4.5998 | View | CSV | PDB |
| 4.5 | -0.8664 | 4.5998 | View | CSV | PDB |
| 5.0 | -0.9374 | 4.5998 | View | CSV | PDB |
| 5.5 | -1.0086 | 4.5998 | View | CSV | PDB |
| 6.0 | -1.0707 | 4.5998 | View | CSV | PDB |
| 6.5 | -1.1174 | 4.5998 | View | CSV | PDB |
| 7.0 | -1.1491 | 4.5998 | View | CSV | PDB |
| 7.5 | -1.171 | 4.5998 | View | CSV | PDB |
| 8.0 | -1.1865 | 4.5998 | View | CSV | PDB |
| 8.5 | -1.194 | 4.5998 | View | CSV | PDB |
| 9.0 | -1.1899 | 4.5998 | 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