| Chain sequence(s) | MPGKPKHLGVPNGRMVLAVSDGELTSTAGSQAQGEGRGSSLSIHSLPSGPSSPFSTEEQPVASWAQSFERLLQDPRGLAYFTEFLKKEFSAENVTFWKACERFQQIPASDTKQLAQEAHNIYHEFLSSQALSPVNIDRQAWLSEEVLAQPRPDMFRAQQLQIFNLMKFDSYARFVKSPLYQECLLAEAEGRPLREPGSSHLGSPDTARKKPKLKPGKSLPLGVEELGQLPLAEGPCGRPLRKSFRREMTGGAMNSALRRESQGSLNSSASLDLGFLAFVSSKSESHRKSLGSGESESESRPGKYCCVYLPDGTASLALARPGLTIRDMLAGICEKRGLSLPDIKVYLVGNEQKALVLDQDCTVLADQEVRLENRITFQLELVGLERVVRISAKPTKRLQEALQPILAKHGLSLDQVVLHRPGEKQPMDLENPVSSVASQTLVLDTPPDAKMSEARSISPCRSQGCLPRTQTKDSHLPPSSSSLLVEDASSSTGNRQTCDIEGLVELLNRVQSSGAHDQRGLLRKEDLVLPEFLQLPSQRPGSREAPP 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:21)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/be27c7ecba7397/tmp/folded.pdb (00:17:21)
[INFO] Main: Simulation completed successfully. (00:24:00)
|
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 | 0.8371 | |
| 2 | P | A | -0.4025 | |
| 3 | G | A | -1.4221 | |
| 4 | K | A | -2.6651 | |
| 5 | P | A | -2.0949 | |
| 6 | K | A | -2.4592 | |
| 7 | H | A | -1.2701 | |
| 8 | L | A | 0.7730 | |
| 9 | G | A | 0.5171 | |
| 10 | V | A | 1.3001 | |
| 11 | P | A | -0.2855 | |
| 12 | N | A | -1.5692 | |
| 13 | G | A | -1.3606 | |
| 14 | R | A | -1.4965 | |
| 15 | M | A | 1.1127 | |
| 16 | V | A | 2.5754 | |
| 17 | L | A | 3.0691 | |
| 18 | A | A | 1.9736 | |
| 19 | V | A | 1.5804 | |
| 20 | S | A | -0.5222 | |
| 21 | D | A | -2.1190 | |
| 22 | G | A | -1.7226 | |
| 23 | E | A | -1.7863 | |
| 24 | L | A | 0.4794 | |
| 25 | T | A | 0.1433 | |
| 26 | S | A | -0.1844 | |
| 27 | T | A | -0.2646 | |
| 28 | A | A | -0.2981 | |
| 29 | G | A | -0.8181 | |
| 30 | S | A | -0.9953 | |
| 31 | Q | A | -1.6238 | |
| 32 | A | A | -1.2791 | |
| 33 | Q | A | -2.0691 | |
| 34 | G | A | -2.0299 | |
| 35 | E | A | -3.0005 | |
| 36 | G | A | -2.4563 | |
| 37 | R | A | -2.7931 | |
| 38 | G | A | -1.9412 | |
| 39 | S | A | -0.6034 | |
| 40 | S | A | 0.3054 | |
| 41 | L | A | 1.6389 | |
| 42 | S | A | 1.1432 | |
| 43 | I | A | 1.8141 | |
| 44 | H | A | 0.4606 | |
| 45 | S | A | 0.4361 | |
| 46 | L | A | 1.1811 | |
| 47 | P | A | 0.0683 | |
| 48 | S | A | -0.3248 | |
| 49 | G | A | -0.6396 | |
| 50 | P | A | -0.7553 | |
| 51 | S | A | -0.4034 | |
| 52 | S | A | -0.0536 | |
| 53 | P | A | 0.3671 | |
| 54 | F | A | 0.6918 | |
| 55 | S | A | -0.5447 | |
| 56 | T | A | -1.2297 | |
| 57 | E | A | -2.6685 | |
| 58 | E | A | -2.7065 | |
| 59 | Q | A | -1.8531 | |
| 60 | P | A | -1.5766 | |
| 61 | V | A | 0.0000 | |
| 62 | A | A | -0.7058 | |
| 63 | S | A | -1.4819 | |
| 64 | W | A | 0.0000 | |
| 65 | A | A | -0.9562 | |
| 66 | Q | A | -1.5367 | |
| 67 | S | A | -1.5590 | |
| 68 | F | A | 0.0000 | |
| 69 | E | A | -2.2943 | |
| 70 | R | A | -2.3118 | |
| 71 | L | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | Q | A | -2.1358 | |
| 74 | D | A | -1.6123 | |
| 75 | P | A | -1.1670 | |
| 76 | R | A | -1.5278 | |
| 77 | G | A | 0.0000 | |
| 78 | L | A | -0.6760 | |
| 79 | A | A | -0.7315 | |
| 80 | Y | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | T | A | -1.0019 | |
| 83 | E | A | -1.1882 | |
| 84 | F | A | -1.1452 | |
| 85 | L | A | 0.0000 | |
| 86 | K | A | -2.1851 | |
| 87 | K | A | -2.4344 | |
| 88 | E | A | -1.6184 | |
| 89 | F | A | 0.2059 | |
| 90 | S | A | -0.4499 | |
| 91 | A | A | -0.6961 | |
| 92 | E | A | -0.3546 | |
| 93 | N | A | 0.0000 | |
| 94 | V | A | 0.0000 | |
| 95 | T | A | -0.2795 | |
| 96 | F | A | 0.0000 | |
| 97 | W | A | -0.4743 | |
| 98 | K | A | -1.0198 | |
| 99 | A | A | -1.1750 | |
| 100 | C | A | 0.0000 | |
| 101 | E | A | -2.4437 | |
| 102 | R | A | -2.8472 | |
| 103 | F | A | 0.0000 | |
| 104 | Q | A | -2.7287 | |
| 105 | Q | A | -2.4116 | |
| 106 | I | A | 0.0000 | |
| 107 | P | A | -1.1971 | |
| 108 | A | A | -1.4807 | |
| 109 | S | A | -1.1040 | |
| 110 | D | A | -1.5644 | |
| 111 | T | A | -2.1416 | |
| 112 | K | A | -2.6138 | |
| 113 | Q | A | -2.2319 | |
| 114 | L | A | 0.0000 | |
| 115 | A | A | -2.2748 | |
| 116 | Q | A | -2.4028 | |
| 117 | E | A | -2.2007 | |
| 118 | A | A | 0.0000 | |
| 119 | H | A | -1.8693 | |
| 120 | N | A | -1.8398 | |
| 121 | I | A | 0.0000 | |
| 122 | Y | A | 0.0000 | |
| 123 | H | A | -1.7190 | |
| 124 | E | A | -1.1437 | |
| 125 | F | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | S | A | -1.0060 | |
| 128 | S | A | -0.8352 | |
| 129 | Q | A | -1.2340 | |
| 130 | A | A | -0.4615 | |
| 131 | L | A | 0.7846 | |
| 132 | S | A | -0.0649 | |
| 133 | P | A | -0.5770 | |
| 134 | V | A | -0.7305 | |
| 135 | N | A | -1.7736 | |
| 136 | I | A | -1.6485 | |
| 137 | D | A | -3.1284 | |
| 138 | R | A | -3.1515 | |
| 139 | Q | A | -2.4252 | |
| 140 | A | A | -1.5667 | |
| 141 | W | A | -0.9662 | |
| 142 | L | A | -0.6215 | |
| 143 | S | A | -1.2378 | |
| 144 | E | A | -2.6207 | |
| 145 | E | A | -2.6839 | |
| 146 | V | A | -1.6349 | |
| 147 | L | A | 0.0000 | |
| 148 | A | A | -1.5228 | |
| 149 | Q | A | -1.8262 | |
| 150 | P | A | -2.3128 | |
| 151 | R | A | -2.6818 | |
| 152 | P | A | -2.5871 | |
| 153 | D | A | -2.9186 | |
| 154 | M | A | -1.8099 | |
| 155 | F | A | 0.0000 | |
| 156 | R | A | -1.9076 | |
| 157 | A | A | -0.5957 | |
| 158 | Q | A | 0.0000 | |
| 159 | Q | A | 0.0000 | |
| 160 | L | A | 0.5692 | |
| 161 | Q | A | -0.4011 | |
| 162 | I | A | 0.0000 | |
| 163 | F | A | 0.4463 | |
| 164 | N | A | 0.2103 | |
| 165 | L | A | 0.2920 | |
| 166 | M | A | 0.0000 | |
| 167 | K | A | -0.0574 | |
| 168 | F | A | 1.1798 | |
| 169 | D | A | -0.3019 | |
| 170 | S | A | 0.0000 | |
| 171 | Y | A | -0.2205 | |
| 172 | A | A | -0.2902 | |
| 173 | R | A | -1.3302 | |
| 174 | F | A | 0.0000 | |
| 175 | V | A | -0.9733 | |
| 176 | K | A | -1.9345 | |
| 177 | S | A | 0.0000 | |
| 178 | P | A | -1.3233 | |
| 179 | L | A | -0.8946 | |
| 180 | Y | A | 0.0000 | |
| 181 | Q | A | -1.6918 | |
| 182 | E | A | -2.0325 | |
| 183 | C | A | 0.0000 | |
| 184 | L | A | -0.7424 | |
| 185 | L | A | -0.7631 | |
| 186 | A | A | -1.9267 | |
| 187 | E | A | -1.7978 | |
| 188 | A | A | -1.3100 | |
| 189 | E | A | -2.4495 | |
| 190 | G | A | -2.1675 | |
| 191 | R | A | -2.8310 | |
| 192 | P | A | -2.0680 | |
| 193 | L | A | -1.9490 | |
| 194 | R | A | -3.1780 | |
| 195 | E | A | -2.9933 | |
| 196 | P | A | -1.7730 | |
| 197 | G | A | -1.6965 | |
| 198 | S | A | -1.4919 | |
| 199 | S | A | -0.7572 | |
| 200 | H | A | -0.6182 | |
| 201 | L | A | 0.6860 | |
| 202 | G | A | -0.4944 | |
| 203 | S | A | -0.8824 | |
| 204 | P | A | -1.1931 | |
| 205 | D | A | -2.2756 | |
| 206 | T | A | -1.6356 | |
| 207 | A | A | -1.8946 | |
| 208 | R | A | -3.2132 | |
| 209 | K | A | -3.4580 | |
| 210 | K | A | -3.2786 | |
| 211 | P | A | -2.0800 | |
| 212 | K | A | -1.9168 | |
| 213 | L | A | -0.4960 | |
| 214 | K | A | -1.5256 | |
| 215 | P | A | -1.4549 | |
| 216 | G | A | -1.7928 | |
| 217 | K | A | -1.8211 | |
| 218 | S | A | -0.4784 | |
| 219 | L | A | 1.3063 | |
| 220 | P | A | 0.9596 | |
| 221 | L | A | 1.9275 | |
| 222 | G | A | 0.7766 | |
| 223 | V | A | 0.6035 | |
| 224 | E | A | -1.7574 | |
| 225 | E | A | -1.7927 | |
| 226 | L | A | -0.1777 | |
| 227 | G | A | -0.3223 | |
| 228 | Q | A | -0.4130 | |
| 229 | L | A | 1.0659 | |
| 230 | P | A | 1.1188 | |
| 231 | L | A | 1.4055 | |
| 232 | A | A | -0.2421 | |
| 233 | E | A | -1.7688 | |
| 234 | G | A | -1.3845 | |
| 235 | P | A | -0.5885 | |
| 236 | C | A | -0.0915 | |
| 237 | G | A | -1.0987 | |
| 238 | R | A | -1.7594 | |
| 239 | P | A | -0.8508 | |
| 240 | L | A | -0.1345 | |
| 241 | R | A | -2.0616 | |
| 242 | K | A | -2.0354 | |
| 243 | S | A | -0.9983 | |
| 244 | F | A | 0.0964 | |
| 245 | R | A | -2.1365 | |
| 246 | R | A | -3.1249 | |
| 247 | E | A | -2.7344 | |
| 248 | M | A | -0.3200 | |
| 249 | T | A | -0.2238 | |
| 250 | G | A | -0.4950 | |
| 251 | G | A | -0.4583 | |
| 252 | A | A | -0.0249 | |
| 253 | M | A | 0.3300 | |
| 254 | N | A | -0.8466 | |
| 255 | S | A | -0.2712 | |
| 256 | A | A | 0.0980 | |
| 257 | L | A | 0.2592 | |
| 258 | R | A | -2.4721 | |
| 259 | R | A | -3.4237 | |
| 260 | E | A | -3.5513 | |
| 261 | S | A | -2.2795 | |
| 262 | Q | A | -1.9679 | |
| 263 | G | A | -1.0861 | |
| 264 | S | A | -0.2626 | |
| 265 | L | A | 0.6293 | |
| 266 | N | A | -0.7041 | |
| 267 | S | A | -0.5743 | |
| 268 | S | A | -0.4421 | |
| 269 | A | A | 0.0625 | |
| 270 | S | A | 0.3216 | |
| 271 | L | A | 0.9673 | |
| 272 | D | A | 0.4747 | |
| 273 | L | A | 1.4939 | |
| 274 | G | A | 1.5272 | |
| 275 | F | A | 2.9744 | |
| 276 | L | A | 2.5509 | |
| 277 | A | A | 2.1441 | |
| 278 | F | A | 2.8648 | |
| 279 | V | A | 1.9866 | |
| 280 | S | A | 0.4326 | |
| 281 | S | A | -0.5735 | |
| 282 | K | A | -1.8641 | |
| 283 | S | A | -2.0227 | |
| 284 | E | A | -2.9858 | |
| 285 | S | A | -2.4562 | |
| 286 | H | A | -2.9239 | |
| 287 | R | A | -3.3307 | |
| 288 | K | A | -2.6492 | |
| 289 | S | A | -0.8764 | |
| 290 | L | A | 0.5832 | |
| 291 | G | A | -0.3370 | |
| 292 | S | A | -0.7576 | |
| 293 | G | A | -1.8101 | |
| 294 | E | A | -2.6883 | |
| 295 | S | A | -2.3829 | |
| 296 | E | A | -2.9900 | |
| 297 | S | A | -2.5425 | |
| 298 | E | A | -3.0698 | |
| 299 | S | A | -2.3849 | |
| 300 | R | A | -3.1273 | |
| 301 | P | A | -2.0302 | |
| 302 | G | A | -2.0941 | |
| 303 | K | A | -2.4543 | |
| 304 | Y | A | -0.6546 | |
| 305 | C | A | 0.0000 | |
| 306 | C | A | -0.1381 | |
| 307 | V | A | 0.0000 | |
| 308 | Y | A | -0.5283 | |
| 309 | L | A | 0.0000 | |
| 310 | P | A | -1.5256 | |
| 311 | D | A | -2.2575 | |
| 312 | G | A | -1.3825 | |
| 313 | T | A | -0.7357 | |
| 314 | A | A | -0.0727 | |
| 315 | S | A | 0.6089 | |
| 316 | L | A | 0.9876 | |
| 317 | A | A | 0.0000 | |
| 318 | L | A | 0.1860 | |
| 319 | A | A | 0.0000 | |
| 320 | R | A | -2.1904 | |
| 321 | P | A | -1.3906 | |
| 322 | G | A | -1.2033 | |
| 323 | L | A | -1.4850 | |
| 324 | T | A | -1.8147 | |
| 325 | I | A | 0.0000 | |
| 326 | R | A | -1.8605 | |
| 327 | D | A | -2.3224 | |
| 328 | M | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | A | A | -1.6683 | |
| 331 | G | A | -1.7163 | |
| 332 | I | A | -1.4278 | |
| 333 | C | A | 0.0000 | |
| 334 | E | A | -3.1144 | |
| 335 | K | A | -3.2213 | |
| 336 | R | A | -3.0118 | |
| 337 | G | A | -2.0489 | |
| 338 | L | A | -1.5689 | |
| 339 | S | A | -0.9065 | |
| 340 | L | A | -0.8564 | |
| 341 | P | A | -0.6288 | |
| 342 | D | A | -1.0146 | |
| 343 | I | A | 0.0000 | |
| 344 | K | A | -1.1345 | |
| 345 | V | A | 0.0000 | |
| 346 | Y | A | 0.0000 | |
| 347 | L | A | -1.3179 | |
| 348 | V | A | -0.9672 | |
| 349 | G | A | -1.6061 | |
| 350 | N | A | -2.9634 | |
| 351 | E | A | -3.5430 | |
| 352 | Q | A | -3.2955 | |
| 353 | K | A | -2.8879 | |
| 354 | A | A | -1.3907 | |
| 355 | L | A | -0.0133 | |
| 356 | V | A | 0.6904 | |
| 357 | L | A | -0.7323 | |
| 358 | D | A | -2.0441 | |
| 359 | Q | A | -1.1771 | |
| 360 | D | A | -1.6819 | |
| 361 | C | A | 0.0000 | |
| 362 | T | A | -0.5459 | |
| 363 | V | A | 0.8928 | |
| 364 | L | A | 0.0000 | |
| 365 | A | A | -1.1461 | |
| 366 | D | A | -2.1159 | |
| 367 | Q | A | -1.4655 | |
| 368 | E | A | -1.4153 | |
| 369 | V | A | 0.0000 | |
| 370 | R | A | -1.4254 | |
| 371 | L | A | 0.0000 | |
| 372 | E | A | -1.5349 | |
| 373 | N | A | -1.5113 | |
| 374 | R | A | -1.3377 | |
| 375 | I | A | -0.6533 | |
| 376 | T | A | -1.0249 | |
| 377 | F | A | 0.0000 | |
| 378 | Q | A | -1.3726 | |
| 379 | L | A | 0.0000 | |
| 380 | E | A | -1.0806 | |
| 381 | L | A | 0.0000 | |
| 382 | V | A | 0.3018 | |
| 383 | G | A | -0.8835 | |
| 384 | L | A | -1.1504 | |
| 385 | E | A | -1.8973 | |
| 386 | R | A | -1.7819 | |
| 387 | V | A | -0.0068 | |
| 388 | V | A | -0.5812 | |
| 389 | R | A | -1.9501 | |
| 390 | I | A | 0.0000 | |
| 391 | S | A | -1.1028 | |
| 392 | A | A | 0.0000 | |
| 393 | K | A | -1.7734 | |
| 394 | P | A | -1.1301 | |
| 395 | T | A | -1.0904 | |
| 396 | K | A | -2.0608 | |
| 397 | R | A | -2.6496 | |
| 398 | L | A | 0.0000 | |
| 399 | Q | A | -2.2225 | |
| 400 | E | A | -2.2997 | |
| 401 | A | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | Q | A | -1.8747 | |
| 404 | P | A | -1.4302 | |
| 405 | I | A | -1.0359 | |
| 406 | L | A | 0.0000 | |
| 407 | A | A | -1.2716 | |
| 408 | K | A | -2.4470 | |
| 409 | H | A | -1.8043 | |
| 410 | G | A | -1.5263 | |
| 411 | L | A | 0.0000 | |
| 412 | S | A | -1.0459 | |
| 413 | L | A | -1.0305 | |
| 414 | D | A | -1.8954 | |
| 415 | Q | A | -1.7863 | |
| 416 | V | A | 0.0000 | |
| 417 | V | A | -0.5128 | |
| 418 | L | A | 0.0000 | |
| 419 | H | A | -2.2167 | |
| 420 | R | A | -2.6314 | |
| 421 | P | A | -1.9322 | |
| 422 | G | A | -2.2338 | |
| 423 | E | A | -3.5277 | |
| 424 | K | A | -3.3820 | |
| 425 | Q | A | -2.9879 | |
| 426 | P | A | -1.8910 | |
| 427 | M | A | -1.9070 | |
| 428 | D | A | -2.5873 | |
| 429 | L | A | -1.9935 | |
| 430 | E | A | -3.0540 | |
| 431 | N | A | -2.2058 | |
| 432 | P | A | -1.8241 | |
| 433 | V | A | 0.0000 | |
| 434 | S | A | -0.6603 | |
| 435 | S | A | -0.4067 | |
| 436 | V | A | 0.0000 | |
| 437 | A | A | -0.4108 | |
| 438 | S | A | -0.7339 | |
| 439 | Q | A | -0.9469 | |
| 440 | T | A | -1.0409 | |
| 441 | L | A | 0.0000 | |
| 442 | V | A | 0.0000 | |
| 443 | L | A | 0.0000 | |
| 444 | D | A | -0.6195 | |
| 445 | T | A | -0.8887 | |
| 446 | P | A | -1.4084 | |
| 447 | P | A | -1.6648 | |
| 448 | D | A | -2.4700 | |
| 449 | A | A | -2.0347 | |
| 450 | K | A | -2.5418 | |
| 451 | M | A | -1.8378 | |
| 452 | S | A | -2.0197 | |
| 453 | E | A | -2.8261 | |
| 454 | A | A | -1.9722 | |
| 455 | R | A | -2.0516 | |
| 456 | S | A | -0.4530 | |
| 457 | I | A | 1.3524 | |
| 458 | S | A | 0.3525 | |
| 459 | P | A | 0.0171 | |
| 460 | C | A | -0.1385 | |
| 461 | R | A | -1.9469 | |
| 462 | S | A | -1.6244 | |
| 463 | Q | A | -1.8241 | |
| 464 | G | A | -0.4545 | |
| 465 | C | A | 0.9535 | |
| 466 | L | A | 1.2874 | |
| 467 | P | A | -0.1080 | |
| 468 | R | A | -1.9100 | |
| 469 | T | A | -1.6585 | |
| 470 | Q | A | -2.0003 | |
| 471 | T | A | -1.9161 | |
| 472 | K | A | -2.8852 | |
| 473 | D | A | -2.9516 | |
| 474 | S | A | -1.6334 | |
| 475 | H | A | -0.7733 | |
| 476 | L | A | 0.8069 | |
| 477 | P | A | 0.2388 | |
| 478 | P | A | -0.1738 | |
| 479 | S | A | -0.5267 | |
| 480 | S | A | -0.5199 | |
| 481 | S | A | -0.1441 | |
| 482 | S | A | 0.7768 | |
| 483 | L | A | 2.5758 | |
| 484 | L | A | 2.7917 | |
| 485 | V | A | 1.6078 | |
| 486 | E | A | -1.5377 | |
| 487 | D | A | -2.3679 | |
| 488 | A | A | -1.3586 | |
| 489 | S | A | -0.6841 | |
| 490 | S | A | -0.4289 | |
| 491 | S | A | -0.5064 | |
| 492 | T | A | -0.9600 | |
| 493 | G | A | -1.7791 | |
| 494 | N | A | -2.7722 | |
| 495 | R | A | -3.0893 | |
| 496 | Q | A | -2.6136 | |
| 497 | T | A | -1.1725 | |
| 498 | C | A | -0.4468 | |
| 499 | D | A | -1.0809 | |
| 500 | I | A | 0.6854 | |
| 501 | E | A | -1.1275 | |
| 502 | G | A | -0.6716 | |
| 503 | L | A | 0.6302 | |
| 504 | V | A | 0.3842 | |
| 505 | E | A | -1.2358 | |
| 506 | L | A | 0.4353 | |
| 507 | L | A | 0.6915 | |
| 508 | N | A | -1.3803 | |
| 509 | R | A | -1.5903 | |
| 510 | V | A | 0.2617 | |
| 511 | Q | A | -1.2963 | |
| 512 | S | A | -1.2264 | |
| 513 | S | A | -0.8999 | |
| 514 | G | A | -1.1539 | |
| 515 | A | A | -1.3673 | |
| 516 | H | A | -2.3279 | |
| 517 | D | A | -2.8257 | |
| 518 | Q | A | -2.9281 | |
| 519 | R | A | -2.8760 | |
| 520 | G | A | -1.1355 | |
| 521 | L | A | 0.4636 | |
| 522 | L | A | -0.2537 | |
| 523 | R | A | -2.3981 | |
| 524 | K | A | -2.4233 | |
| 525 | E | A | -2.3497 | |
| 526 | D | A | -0.4901 | |
| 527 | L | A | 1.2357 | |
| 528 | V | A | 1.9396 | |
| 529 | L | A | 2.2675 | |
| 530 | P | A | 1.1782 | |
| 531 | E | A | -0.1262 | |
| 532 | F | A | 1.8027 | |
| 533 | L | A | 1.9198 | |
| 534 | Q | A | 0.6018 | |
| 535 | L | A | 1.0755 | |
| 536 | P | A | -0.2854 | |
| 537 | S | A | -1.2434 | |
| 538 | Q | A | -2.1908 | |
| 539 | R | A | -2.7991 | |
| 540 | P | A | -2.0154 | |
| 541 | G | A | -2.1407 | |
| 542 | S | A | -2.1736 | |
| 543 | R | A | -3.0136 | |
| 544 | E | A | -2.9056 | |
| 545 | A | A | -1.5137 | |
| 546 | P | A | -0.9980 | |
| 547 | P | A | -0.5944 |
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 | -0.725 | 6.627 | View | CSV | PDB |
| 4.5 | -0.8088 | 6.5805 | View | CSV | PDB |
| 5.0 | -0.9124 | 6.5237 | View | CSV | PDB |
| 5.5 | -1.0172 | 6.4626 | View | CSV | PDB |
| 6.0 | -1.1038 | 6.3999 | View | CSV | PDB |
| 6.5 | -1.1576 | 6.3369 | View | CSV | PDB |
| 7.0 | -1.1767 | 6.2738 | View | CSV | PDB |
| 7.5 | -1.1709 | 6.2112 | View | CSV | PDB |
| 8.0 | -1.1507 | 6.1503 | View | CSV | PDB |
| 8.5 | -1.12 | 6.0941 | View | CSV | PDB |
| 9.0 | -1.0792 | 6.0487 | 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