| Chain sequence(s) | MVLPTVLILLLSWAAGLGGQYGNPLNKYIRHYEGLSYNVDSLHQKHQRAKRAVSHEDQFLLLDFHAHGRQFNLRMKRDTSLFSDEFKVETSNKVLDYDTSHIYTGHIYGEEGSFSHGSVVDGRFEGFIQTRGGTFYIEPAERYIKDRILPFHSVIYHEDDINYPHKYGPQGGCADHSVFERMRKYQMTGVEEGTRAHSEEHAASMGPELLRKKRTTLAERNTCQLYIQTDHLFFKYYGTREAVIAQISSHVKAIDTIYQTTDFSGIRNISFMVKRIRINTTSDEKDPTNPFRFPNIGVEKFLELNSEQNHDDYCLAYVFTDRDFDDGVLGLAWVGAPSGSSGGICEKSKLYSDGKKKSLNTGIITVQNYGSHVPPKVSHITFAHEVGHNFGSPHDSGTECTPGESKNLGQKENGNYIMYARATSGDKLNNNKFSLCSIRNISQVLEKKRNNCFVESGQPICGNGMVEQGEECDCGYSDQCKDECCFDANQPEGKKCKLKPGKQCSPSQGPCCTAQCAFKSKSEKCRDDSDCAKEGICNGFTALCPASDPKPNFTDCNRHTQVCINGQCAGSICEKYDLEECTCASSDGKDDKELCHVCCMKKMAPSTCASTGSLQWNKQFNGRTITLQPGSPCNDFRGYCDVFMRCRLVDADGPLARLKKAIFSPQLYENIAEWIVAHWWAVLLMGIALIMLMAGFIKICSVHTPSSNPKLPPPKPLPGTLKRRRPPQPIQQPPRQRPRESYQMGHMRR 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:52)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3f7b6e4539975c/tmp/folded.pdb (00:11:52)
[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 | 2.3062 | |
| 2 | V | A | 3.1328 | |
| 3 | L | A | 3.2751 | |
| 4 | P | A | 2.2945 | |
| 5 | T | A | 2.5735 | |
| 6 | V | A | 3.5368 | |
| 7 | L | A | 3.5909 | |
| 8 | I | A | 4.2319 | |
| 9 | L | A | 3.6903 | |
| 10 | L | A | 3.7048 | |
| 11 | L | A | 3.6025 | |
| 12 | S | A | 2.2706 | |
| 13 | W | A | 2.4583 | |
| 14 | A | A | 1.5205 | |
| 15 | A | A | 0.9155 | |
| 16 | G | A | 0.5604 | |
| 17 | L | A | 1.1560 | |
| 18 | G | A | 0.1276 | |
| 19 | G | A | -0.2841 | |
| 20 | Q | A | 0.1765 | |
| 21 | Y | A | 0.0000 | |
| 22 | G | A | 0.0000 | |
| 23 | N | A | -0.1647 | |
| 24 | P | A | -0.5488 | |
| 25 | L | A | -0.4795 | |
| 26 | N | A | -1.1018 | |
| 27 | K | A | -2.0640 | |
| 28 | Y | A | 0.0000 | |
| 29 | I | A | 0.0000 | |
| 30 | R | A | -1.3698 | |
| 31 | H | A | -1.1120 | |
| 32 | Y | A | 0.0000 | |
| 33 | E | A | -0.5535 | |
| 34 | G | A | -0.4271 | |
| 35 | L | A | 0.0000 | |
| 36 | S | A | -0.3857 | |
| 37 | Y | A | -1.0571 | |
| 38 | N | A | -1.7124 | |
| 39 | V | A | -1.4156 | |
| 40 | D | A | -2.6012 | |
| 41 | S | A | -1.7273 | |
| 42 | L | A | 0.0000 | |
| 43 | H | A | -2.4683 | |
| 44 | Q | A | -2.6224 | |
| 45 | K | A | -2.6451 | |
| 46 | H | A | -2.6404 | |
| 47 | Q | A | -2.7516 | |
| 48 | R | A | -3.6898 | |
| 49 | A | A | 0.0000 | |
| 50 | K | A | -2.6516 | |
| 51 | R | A | -2.8420 | |
| 52 | A | A | -1.9058 | |
| 53 | V | A | 0.1321 | |
| 54 | S | A | -0.8978 | |
| 55 | H | A | -1.6217 | |
| 56 | E | A | -2.7927 | |
| 57 | D | A | -3.2371 | |
| 58 | Q | A | -2.3179 | |
| 59 | F | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | L | A | 0.1842 | |
| 62 | L | A | 0.0000 | |
| 63 | D | A | -2.0307 | |
| 64 | F | A | 0.0000 | |
| 65 | H | A | -1.7382 | |
| 66 | A | A | 0.0000 | |
| 67 | H | A | -0.7543 | |
| 68 | G | A | 0.0000 | |
| 69 | R | A | -1.5654 | |
| 70 | Q | A | -2.0719 | |
| 71 | F | A | 0.0000 | |
| 72 | N | A | -1.1045 | |
| 73 | L | A | 0.0000 | |
| 74 | R | A | -0.2009 | |
| 75 | M | A | 0.0000 | |
| 76 | K | A | -0.7775 | |
| 77 | R | A | -0.8371 | |
| 78 | D | A | 0.0000 | |
| 79 | T | A | -0.5978 | |
| 80 | S | A | -0.7503 | |
| 81 | L | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | S | A | -1.8326 | |
| 84 | D | A | -2.8679 | |
| 85 | E | A | -3.2109 | |
| 86 | F | A | 0.0000 | |
| 87 | K | A | -2.0457 | |
| 88 | V | A | 0.0000 | |
| 89 | E | A | -0.9551 | |
| 90 | T | A | 0.0000 | |
| 91 | S | A | -1.3284 | |
| 92 | N | A | -1.8620 | |
| 93 | K | A | -1.8048 | |
| 94 | V | A | 0.0254 | |
| 95 | L | A | -0.7387 | |
| 96 | D | A | -2.2639 | |
| 97 | Y | A | -1.8024 | |
| 98 | D | A | -2.1853 | |
| 99 | T | A | -1.2145 | |
| 100 | S | A | -1.1443 | |
| 101 | H | A | 0.0000 | |
| 102 | I | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | T | A | -0.3278 | |
| 105 | G | A | 0.0000 | |
| 106 | H | A | -0.6238 | |
| 107 | I | A | 0.0000 | |
| 108 | Y | A | 0.1702 | |
| 109 | G | A | 0.0000 | |
| 110 | E | A | -1.3570 | |
| 111 | E | A | -2.2630 | |
| 112 | G | A | -1.8630 | |
| 113 | S | A | -1.3158 | |
| 114 | F | A | -0.5443 | |
| 115 | S | A | 0.0000 | |
| 116 | H | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | S | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | V | A | -0.7950 | |
| 121 | D | A | -2.0620 | |
| 122 | G | A | 0.0000 | |
| 123 | R | A | -0.9905 | |
| 124 | F | A | 0.0000 | |
| 125 | E | A | 0.0000 | |
| 126 | G | A | -0.0632 | |
| 127 | F | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | Q | A | -0.8926 | |
| 130 | T | A | -1.5784 | |
| 131 | R | A | -2.4214 | |
| 132 | G | A | -1.5596 | |
| 133 | G | A | -1.5140 | |
| 134 | T | A | 0.0000 | |
| 135 | F | A | 0.0000 | |
| 136 | Y | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | E | A | 0.0000 | |
| 139 | P | A | -0.4921 | |
| 140 | A | A | 0.0000 | |
| 141 | E | A | -1.9045 | |
| 142 | R | A | -0.9660 | |
| 143 | Y | A | -0.5350 | |
| 144 | I | A | -1.3056 | |
| 145 | K | A | -2.9555 | |
| 146 | D | A | -3.0944 | |
| 147 | R | A | -2.2053 | |
| 148 | I | A | 0.5471 | |
| 149 | L | A | 0.3575 | |
| 150 | P | A | 0.2520 | |
| 151 | F | A | 0.0000 | |
| 152 | H | A | -0.0749 | |
| 153 | S | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | I | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | H | A | -1.2650 | |
| 158 | E | A | -1.9429 | |
| 159 | D | A | -2.8412 | |
| 160 | D | A | -1.9130 | |
| 161 | I | A | 0.0000 | |
| 162 | N | A | -2.2983 | |
| 163 | Y | A | 0.0000 | |
| 164 | P | A | -1.5462 | |
| 165 | H | A | -2.2048 | |
| 166 | K | A | -2.3919 | |
| 167 | Y | A | -1.6039 | |
| 168 | G | A | -1.6444 | |
| 169 | P | A | -1.4680 | |
| 170 | Q | A | -2.0803 | |
| 171 | G | A | -1.8384 | |
| 172 | G | A | 0.0000 | |
| 173 | C | A | -0.8954 | |
| 174 | A | A | 0.0000 | |
| 175 | D | A | -1.8077 | |
| 176 | H | A | -1.8992 | |
| 177 | S | A | -1.6442 | |
| 178 | V | A | 0.0000 | |
| 179 | F | A | -1.8567 | |
| 180 | E | A | -2.9233 | |
| 181 | R | A | -2.7314 | |
| 182 | M | A | 0.0000 | |
| 183 | R | A | -2.0037 | |
| 184 | K | A | -2.3670 | |
| 185 | Y | A | -1.2614 | |
| 186 | Q | A | 0.0000 | |
| 187 | M | A | 0.5034 | |
| 188 | T | A | 0.0689 | |
| 189 | G | A | -0.1274 | |
| 190 | V | A | 0.3548 | |
| 191 | E | A | -1.9731 | |
| 192 | E | A | -2.7193 | |
| 193 | G | A | -2.1676 | |
| 194 | T | A | -2.1707 | |
| 195 | R | A | -2.5687 | |
| 196 | A | A | -1.7978 | |
| 197 | H | A | -2.3762 | |
| 198 | S | A | -2.5276 | |
| 199 | E | A | -3.3010 | |
| 200 | E | A | -3.3771 | |
| 201 | H | A | -2.4042 | |
| 202 | A | A | -1.1895 | |
| 203 | A | A | -0.2106 | |
| 204 | S | A | 0.0361 | |
| 205 | M | A | 0.4524 | |
| 206 | G | A | -0.4617 | |
| 207 | P | A | -0.4879 | |
| 208 | E | A | -1.0471 | |
| 209 | L | A | 0.4857 | |
| 210 | L | A | 0.0714 | |
| 211 | R | A | -2.5130 | |
| 212 | K | A | -3.2860 | |
| 213 | K | A | -3.6167 | |
| 214 | R | A | -3.2372 | |
| 215 | T | A | -1.3623 | |
| 216 | T | A | -0.6869 | |
| 217 | L | A | 0.2684 | |
| 218 | A | A | -0.7663 | |
| 219 | E | A | -2.5415 | |
| 220 | R | A | -2.3715 | |
| 221 | N | A | 0.0000 | |
| 222 | T | A | 0.0000 | |
| 223 | C | A | 0.0000 | |
| 224 | Q | A | -0.4166 | |
| 225 | L | A | 0.0000 | |
| 226 | Y | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | Q | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | D | A | 0.0000 | |
| 231 | H | A | 0.0000 | |
| 232 | L | A | -0.4137 | |
| 233 | F | A | 0.0000 | |
| 234 | F | A | -0.7411 | |
| 235 | K | A | -1.5398 | |
| 236 | Y | A | -0.5425 | |
| 237 | Y | A | 0.0000 | |
| 238 | G | A | -1.1545 | |
| 239 | T | A | -1.0659 | |
| 240 | R | A | -1.2025 | |
| 241 | E | A | -1.3541 | |
| 242 | A | A | -0.6068 | |
| 243 | V | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | A | A | 0.0000 | |
| 246 | Q | A | 0.0000 | |
| 247 | I | A | 0.0000 | |
| 248 | S | A | 0.0000 | |
| 249 | S | A | 0.0000 | |
| 250 | H | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | K | A | -0.1793 | |
| 253 | A | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | D | A | 0.0000 | |
| 256 | T | A | -0.4556 | |
| 257 | I | A | 0.0000 | |
| 258 | Y | A | 0.0000 | |
| 259 | Q | A | -1.7902 | |
| 260 | T | A | -1.2986 | |
| 261 | T | A | 0.0000 | |
| 262 | D | A | -1.8977 | |
| 263 | F | A | 0.0000 | |
| 264 | S | A | -1.5495 | |
| 265 | G | A | -1.6010 | |
| 266 | I | A | 0.0000 | |
| 267 | R | A | -3.2575 | |
| 268 | N | A | -2.9366 | |
| 269 | I | A | 0.0000 | |
| 270 | S | A | -1.0688 | |
| 271 | F | A | 0.0000 | |
| 272 | M | A | -0.1463 | |
| 273 | V | A | 0.0000 | |
| 274 | K | A | -1.5145 | |
| 275 | R | A | -1.0178 | |
| 276 | I | A | 0.0000 | |
| 277 | R | A | -0.9240 | |
| 278 | I | A | 0.0000 | |
| 279 | N | A | -1.0156 | |
| 280 | T | A | 0.0000 | |
| 281 | T | A | -1.3572 | |
| 282 | S | A | -1.5492 | |
| 283 | D | A | 0.0000 | |
| 284 | E | A | -2.3228 | |
| 285 | K | A | -2.6927 | |
| 286 | D | A | -2.2955 | |
| 287 | P | A | -1.2452 | |
| 288 | T | A | -0.9417 | |
| 289 | N | A | 0.0000 | |
| 290 | P | A | -0.5280 | |
| 291 | F | A | 0.0000 | |
| 292 | R | A | -1.4493 | |
| 293 | F | A | 0.5039 | |
| 294 | P | A | -0.3758 | |
| 295 | N | A | -1.2029 | |
| 296 | I | A | -1.0011 | |
| 297 | G | A | -1.6721 | |
| 298 | V | A | -1.5870 | |
| 299 | E | A | -1.4619 | |
| 300 | K | A | -2.0380 | |
| 301 | F | A | 0.0000 | |
| 302 | L | A | 0.0000 | |
| 303 | E | A | -1.8950 | |
| 304 | L | A | -1.3381 | |
| 305 | N | A | 0.0000 | |
| 306 | S | A | 0.0000 | |
| 307 | E | A | -2.9057 | |
| 308 | Q | A | -2.0504 | |
| 309 | N | A | -2.6482 | |
| 310 | H | A | 0.0000 | |
| 311 | D | A | -2.2747 | |
| 312 | D | A | -2.4788 | |
| 313 | Y | A | 0.0000 | |
| 314 | C | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | Y | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | F | A | 0.0000 | |
| 320 | T | A | 0.0000 | |
| 321 | D | A | -0.6688 | |
| 322 | R | A | 0.0000 | |
| 323 | D | A | -2.1230 | |
| 324 | F | A | 0.0000 | |
| 325 | D | A | -3.0180 | |
| 326 | D | A | -2.9892 | |
| 327 | G | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | A | A | 0.0000 | |
| 333 | W | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | G | A | 0.0000 | |
| 336 | A | A | -0.6626 | |
| 337 | P | A | -1.4103 | |
| 338 | S | A | -0.8985 | |
| 339 | G | A | -0.4168 | |
| 340 | S | A | -0.3056 | |
| 341 | S | A | 0.0000 | |
| 342 | G | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | I | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | E | A | -1.2191 | |
| 347 | K | A | -2.0007 | |
| 348 | S | A | -1.9918 | |
| 349 | K | A | -1.5774 | |
| 350 | L | A | -0.8454 | |
| 351 | Y | A | 0.0000 | |
| 352 | S | A | -0.9211 | |
| 353 | D | A | -2.3525 | |
| 354 | G | A | -1.8154 | |
| 355 | K | A | -2.6948 | |
| 356 | K | A | -2.4526 | |
| 357 | K | A | 0.0000 | |
| 358 | S | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | N | A | 0.0000 | |
| 361 | T | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | I | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | T | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | Q | A | -0.7187 | |
| 368 | N | A | 0.0000 | |
| 369 | Y | A | -0.6402 | |
| 370 | G | A | -0.7669 | |
| 371 | S | A | -0.8237 | |
| 372 | H | A | -0.6924 | |
| 373 | V | A | 0.0000 | |
| 374 | P | A | 0.0000 | |
| 375 | P | A | -0.0786 | |
| 376 | K | A | 0.0000 | |
| 377 | V | A | 0.0000 | |
| 378 | S | A | 0.0000 | |
| 379 | H | A | 0.0000 | |
| 380 | I | A | 0.0000 | |
| 381 | T | A | -0.0003 | |
| 382 | F | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | H | A | 0.0000 | |
| 385 | E | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | G | A | 0.0000 | |
| 388 | H | A | 0.0000 | |
| 389 | N | A | 0.0000 | |
| 390 | F | A | 0.0000 | |
| 391 | G | A | 0.0000 | |
| 392 | S | A | 0.0000 | |
| 393 | P | A | -0.3004 | |
| 394 | H | A | -0.3637 | |
| 395 | D | A | 0.0000 | |
| 396 | S | A | -0.9189 | |
| 397 | G | A | -1.2907 | |
| 398 | T | A | -1.7801 | |
| 399 | E | A | -2.1334 | |
| 400 | C | A | 0.0000 | |
| 401 | T | A | 0.0000 | |
| 402 | P | A | 0.0000 | |
| 403 | G | A | -2.5453 | |
| 404 | E | A | -2.6492 | |
| 405 | S | A | -2.7782 | |
| 406 | K | A | -2.6789 | |
| 407 | N | A | -2.4936 | |
| 408 | L | A | -1.1554 | |
| 409 | G | A | -1.8722 | |
| 410 | Q | A | -3.0371 | |
| 411 | K | A | -3.4157 | |
| 412 | E | A | -2.9246 | |
| 413 | N | A | -1.8932 | |
| 414 | G | A | 0.0000 | |
| 415 | N | A | -1.1609 | |
| 416 | Y | A | -0.1856 | |
| 417 | I | A | 0.0000 | |
| 418 | M | A | 0.0000 | |
| 419 | Y | A | 0.0000 | |
| 420 | A | A | -0.7912 | |
| 421 | R | A | -1.4592 | |
| 422 | A | A | -0.9060 | |
| 423 | T | A | -0.9700 | |
| 424 | S | A | 0.0000 | |
| 425 | G | A | 0.0000 | |
| 426 | D | A | -2.3529 | |
| 427 | K | A | -1.6721 | |
| 428 | L | A | 0.1464 | |
| 429 | N | A | -0.6953 | |
| 430 | N | A | 0.0000 | |
| 431 | N | A | -0.9126 | |
| 432 | K | A | -0.9170 | |
| 433 | F | A | 0.0000 | |
| 434 | S | A | 0.0000 | |
| 435 | L | A | -0.2134 | |
| 436 | C | A | -0.4817 | |
| 437 | S | A | 0.0000 | |
| 438 | I | A | -0.9021 | |
| 439 | R | A | -1.9473 | |
| 440 | N | A | -1.4414 | |
| 441 | I | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | Q | A | -2.6188 | |
| 444 | V | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | E | A | -3.4285 | |
| 447 | K | A | -3.5333 | |
| 448 | K | A | -2.6871 | |
| 449 | R | A | -2.4733 | |
| 450 | N | A | -3.0508 | |
| 451 | N | A | -2.3244 | |
| 452 | C | A | -1.4082 | |
| 453 | F | A | 0.0000 | |
| 454 | V | A | -1.2877 | |
| 455 | E | A | -2.2241 | |
| 456 | S | A | -1.9705 | |
| 457 | G | A | -1.5301 | |
| 458 | Q | A | -1.6819 | |
| 459 | P | A | -1.0456 | |
| 460 | I | A | -0.1315 | |
| 461 | C | A | -0.5687 | |
| 462 | G | A | 0.0000 | |
| 463 | N | A | 0.0995 | |
| 464 | G | A | 0.0000 | |
| 465 | M | A | 0.1947 | |
| 466 | V | A | -0.0561 | |
| 467 | E | A | -1.0557 | |
| 468 | Q | A | -1.6579 | |
| 469 | G | A | -1.4863 | |
| 470 | E | A | -1.4583 | |
| 471 | E | A | -1.6847 | |
| 472 | C | A | 0.0000 | |
| 473 | D | A | 0.0000 | |
| 474 | C | A | 0.0000 | |
| 475 | G | A | 0.0000 | |
| 476 | Y | A | -0.8498 | |
| 477 | S | A | -1.5179 | |
| 478 | D | A | -2.0517 | |
| 479 | Q | A | -1.4370 | |
| 480 | C | A | -1.8099 | |
| 481 | K | A | -2.7198 | |
| 482 | D | A | -2.1406 | |
| 483 | E | A | -2.6623 | |
| 484 | C | A | 0.0000 | |
| 485 | C | A | 0.0000 | |
| 486 | F | A | -1.2625 | |
| 487 | D | A | -1.4893 | |
| 488 | A | A | 0.0000 | |
| 489 | N | A | -2.0554 | |
| 490 | Q | A | -1.9706 | |
| 491 | P | A | -2.0805 | |
| 492 | E | A | -2.8584 | |
| 493 | G | A | -2.0480 | |
| 494 | K | A | -2.4024 | |
| 495 | K | A | -2.3105 | |
| 496 | C | A | 0.0000 | |
| 497 | K | A | -1.6913 | |
| 498 | L | A | -1.3615 | |
| 499 | K | A | -1.4684 | |
| 500 | P | A | -1.0172 | |
| 501 | G | A | -1.1898 | |
| 502 | K | A | -1.9261 | |
| 503 | Q | A | -1.3837 | |
| 504 | C | A | 0.0000 | |
| 505 | S | A | 0.0000 | |
| 506 | P | A | -0.5355 | |
| 507 | S | A | -0.1447 | |
| 508 | Q | A | -0.1926 | |
| 509 | G | A | -0.0728 | |
| 510 | P | A | -0.2216 | |
| 511 | C | A | 0.0000 | |
| 512 | C | A | 0.0000 | |
| 513 | T | A | -0.5591 | |
| 514 | A | A | -1.1020 | |
| 515 | Q | A | -1.7783 | |
| 516 | C | A | 0.0000 | |
| 517 | A | A | -0.5746 | |
| 518 | F | A | -0.0647 | |
| 519 | K | A | -0.8834 | |
| 520 | S | A | -1.3535 | |
| 521 | K | A | -2.1618 | |
| 522 | S | A | -1.8441 | |
| 523 | E | A | -2.1832 | |
| 524 | K | A | -3.0371 | |
| 525 | C | A | -1.5887 | |
| 526 | R | A | -2.4247 | |
| 527 | D | A | -3.7043 | |
| 528 | D | A | -4.2394 | |
| 529 | S | A | -2.4996 | |
| 530 | D | A | -1.8033 | |
| 531 | C | A | 0.0000 | |
| 532 | A | A | -2.7041 | |
| 533 | K | A | -3.2664 | |
| 534 | E | A | -3.7259 | |
| 535 | G | A | 0.0000 | |
| 536 | I | A | -1.7807 | |
| 537 | C | A | 0.0000 | |
| 538 | N | A | -0.5378 | |
| 539 | G | A | 0.0011 | |
| 540 | F | A | 1.4790 | |
| 541 | T | A | 0.7858 | |
| 542 | A | A | 0.0000 | |
| 543 | L | A | 0.2046 | |
| 544 | C | A | 0.0000 | |
| 545 | P | A | -0.5938 | |
| 546 | A | A | -1.1924 | |
| 547 | S | A | -2.0512 | |
| 548 | D | A | -2.7694 | |
| 549 | P | A | -2.4898 | |
| 550 | K | A | -2.0757 | |
| 551 | P | A | -1.3332 | |
| 552 | N | A | -1.4141 | |
| 553 | F | A | -0.3023 | |
| 554 | T | A | -0.6003 | |
| 555 | D | A | -1.4288 | |
| 556 | C | A | 0.0000 | |
| 557 | N | A | -1.5698 | |
| 558 | R | A | -2.4095 | |
| 559 | H | A | -1.7825 | |
| 560 | T | A | -1.0708 | |
| 561 | Q | A | -0.9584 | |
| 562 | V | A | 0.0000 | |
| 563 | C | A | 0.0000 | |
| 564 | I | A | -0.6327 | |
| 565 | N | A | -1.8310 | |
| 566 | G | A | -1.7459 | |
| 567 | Q | A | -1.2766 | |
| 568 | C | A | -0.6729 | |
| 569 | A | A | -0.3391 | |
| 570 | G | A | 0.0000 | |
| 571 | S | A | -1.0109 | |
| 572 | I | A | 0.0000 | |
| 573 | C | A | 0.0000 | |
| 574 | E | A | -2.3228 | |
| 575 | K | A | -1.5895 | |
| 576 | Y | A | -1.5550 | |
| 577 | D | A | -2.8295 | |
| 578 | L | A | 0.0000 | |
| 579 | E | A | -3.0479 | |
| 580 | E | A | -2.6818 | |
| 581 | C | A | -1.5452 | |
| 582 | T | A | -0.7635 | |
| 583 | C | A | 0.0000 | |
| 584 | A | A | -0.9611 | |
| 585 | S | A | -1.9408 | |
| 586 | S | A | -1.6059 | |
| 587 | D | A | -3.0053 | |
| 588 | G | A | -2.7858 | |
| 589 | K | A | -3.5671 | |
| 590 | D | A | -3.6977 | |
| 591 | D | A | -3.7781 | |
| 592 | K | A | -2.8280 | |
| 593 | E | A | -2.5136 | |
| 594 | L | A | 0.0000 | |
| 595 | C | A | 0.0000 | |
| 596 | H | A | -0.8377 | |
| 597 | V | A | 0.0000 | |
| 598 | C | A | 0.0000 | |
| 599 | C | A | 0.0000 | |
| 600 | M | A | -1.7037 | |
| 601 | K | A | -2.3480 | |
| 602 | K | A | -2.5130 | |
| 603 | M | A | -0.2031 | |
| 604 | A | A | -0.5571 | |
| 605 | P | A | -0.7410 | |
| 606 | S | A | -0.2775 | |
| 607 | T | A | -0.4895 | |
| 608 | C | A | -0.7283 | |
| 609 | A | A | -0.3224 | |
| 610 | S | A | 0.0000 | |
| 611 | T | A | 0.0000 | |
| 612 | G | A | -1.2480 | |
| 613 | S | A | -0.5323 | |
| 614 | L | A | 0.4109 | |
| 615 | Q | A | -0.5431 | |
| 616 | W | A | 0.0000 | |
| 617 | N | A | -2.3241 | |
| 618 | K | A | -2.5543 | |
| 619 | Q | A | -2.1481 | |
| 620 | F | A | 0.0000 | |
| 621 | N | A | -2.7068 | |
| 622 | G | A | -2.2092 | |
| 623 | R | A | -2.4712 | |
| 624 | T | A | -1.3822 | |
| 625 | I | A | 0.0000 | |
| 626 | T | A | -0.8059 | |
| 627 | L | A | -0.1143 | |
| 628 | Q | A | -0.0650 | |
| 629 | P | A | 0.0000 | |
| 630 | G | A | 0.0000 | |
| 631 | S | A | 0.0000 | |
| 632 | P | A | 0.0000 | |
| 633 | C | A | 0.0000 | |
| 634 | N | A | -1.2449 | |
| 635 | D | A | -1.6228 | |
| 636 | F | A | 0.1436 | |
| 637 | R | A | -1.3497 | |
| 638 | G | A | 0.0000 | |
| 639 | Y | A | -0.2784 | |
| 640 | C | A | 0.0000 | |
| 641 | D | A | 0.0917 | |
| 642 | V | A | 1.6845 | |
| 643 | F | A | 1.9394 | |
| 644 | M | A | -0.0440 | |
| 645 | R | A | -1.8283 | |
| 646 | C | A | 0.0000 | |
| 647 | R | A | -1.8231 | |
| 648 | L | A | 0.3613 | |
| 649 | V | A | 0.2485 | |
| 650 | D | A | -1.6037 | |
| 651 | A | A | -1.2743 | |
| 652 | D | A | -2.2208 | |
| 653 | G | A | -1.0014 | |
| 654 | P | A | -0.5806 | |
| 655 | L | A | 0.3418 | |
| 656 | A | A | -1.1167 | |
| 657 | R | A | -2.0195 | |
| 658 | L | A | 0.0696 | |
| 659 | K | A | -0.7929 | |
| 660 | K | A | -1.4272 | |
| 661 | A | A | 0.0194 | |
| 662 | I | A | 1.5824 | |
| 663 | F | A | 1.5375 | |
| 664 | S | A | 0.1651 | |
| 665 | P | A | -0.3764 | |
| 666 | Q | A | -1.1895 | |
| 667 | L | A | 0.1219 | |
| 668 | Y | A | 0.4374 | |
| 669 | E | A | -2.1519 | |
| 670 | N | A | -1.5912 | |
| 671 | I | A | 0.2396 | |
| 672 | A | A | -0.1539 | |
| 673 | E | A | -1.0536 | |
| 674 | W | A | 0.4715 | |
| 675 | I | A | 1.6612 | |
| 676 | V | A | 2.0360 | |
| 677 | A | A | 1.0477 | |
| 678 | H | A | 1.1346 | |
| 679 | W | A | 2.6443 | |
| 680 | W | A | 2.6182 | |
| 681 | A | A | 2.2431 | |
| 682 | V | A | 2.6010 | |
| 683 | L | A | 2.8004 | |
| 684 | L | A | 3.2207 | |
| 685 | M | A | 3.1724 | |
| 686 | G | A | 2.8395 | |
| 687 | I | A | 3.4837 | |
| 688 | A | A | 3.2195 | |
| 689 | L | A | 3.7446 | |
| 690 | I | A | 4.0206 | |
| 691 | M | A | 3.7607 | |
| 692 | L | A | 3.5148 | |
| 693 | M | A | 3.5819 | |
| 694 | A | A | 2.7169 | |
| 695 | G | A | 2.6710 | |
| 696 | F | A | 3.9287 | |
| 697 | I | A | 3.3117 | |
| 698 | K | A | 1.2055 | |
| 699 | I | A | 2.8511 | |
| 700 | C | A | 2.3761 | |
| 701 | S | A | 0.9172 | |
| 702 | V | A | 0.6270 | |
| 703 | H | A | 0.1597 | |
| 704 | T | A | 0.0496 | |
| 705 | P | A | -0.6216 | |
| 706 | S | A | -0.6494 | |
| 707 | S | A | -0.7271 | |
| 708 | N | A | -1.0439 | |
| 709 | P | A | -1.0785 | |
| 710 | K | A | -1.5060 | |
| 711 | L | A | -0.0716 | |
| 712 | P | A | -0.4490 | |
| 713 | P | A | -0.8616 | |
| 714 | P | A | -0.7566 | |
| 715 | K | A | -1.5760 | |
| 716 | P | A | -0.5150 | |
| 717 | L | A | 0.8161 | |
| 718 | P | A | 0.1381 | |
| 719 | G | A | -0.0829 | |
| 720 | T | A | 0.0561 | |
| 721 | L | A | -0.2270 | |
| 722 | K | A | -2.7227 | |
| 723 | R | A | -3.6517 | |
| 724 | R | A | -4.0035 | |
| 725 | R | A | -3.8151 | |
| 726 | P | A | -2.2641 | |
| 727 | P | A | -1.4561 | |
| 728 | Q | A | -1.4356 | |
| 729 | P | A | -0.3846 | |
| 730 | I | A | 0.6756 | |
| 731 | Q | A | -1.1293 | |
| 732 | Q | A | -1.6866 | |
| 733 | P | A | -1.5585 | |
| 734 | P | A | -2.1966 | |
| 735 | R | A | -3.1553 | |
| 736 | Q | A | -3.3347 | |
| 737 | R | A | -3.5638 | |
| 738 | P | A | -2.7996 | |
| 739 | R | A | -3.2461 | |
| 740 | E | A | -2.8661 | |
| 741 | S | A | -1.1533 | |
| 742 | Y | A | 0.1788 | |
| 743 | Q | A | -0.4261 | |
| 744 | M | A | 0.4512 | |
| 745 | G | A | -0.3888 | |
| 746 | H | A | -0.8776 | |
| 747 | M | A | -0.7838 | |
| 748 | R | A | -2.4147 | |
| 749 | R | A | -2.5061 |
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 | -0.5048 | 6.7264 | View | CSV | PDB |
| 4.5 | -0.5763 | 6.7287 | View | CSV | PDB |
| 5.0 | -0.6608 | 6.7356 | View | CSV | PDB |
| 5.5 | -0.7435 | 6.7555 | View | CSV | PDB |
| 6.0 | -0.808 | 6.8046 | View | CSV | PDB |
| 6.5 | -0.8427 | 6.8971 | View | CSV | PDB |
| 7.0 | -0.8479 | 7.0272 | View | CSV | PDB |
| 7.5 | -0.8326 | 7.1771 | View | CSV | PDB |
| 8.0 | -0.8047 | 7.3346 | View | CSV | PDB |
| 8.5 | -0.7663 | 7.4944 | View | CSV | PDB |
| 9.0 | -0.7166 | 7.6539 | 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