| Chain sequence(s) | MSCCDLAAAGQLGKAGIMASDCEPALNQAESRNPTLERYLGALREAKNDSEQFAALLLVTKAVKAGDIDAKTRRRIFDAVGFTFPNRLLTTKEAPDGCPDHVLRALGVALLACFCSDPELASHPQVLNKIPILSTFLTARGDPDDAARRSMIDDTYQCLTAVAGTPRGPRHLIAGGTVSALCQAYLGHGYGFDQALALLVGLLAAAETQCWKEAEPDLLAVLRGLSEDFQRAEDASKFELCQLLPLFLPPTTVPPECHRDLQAGLARILGSKLSSWQRNPALKLAARLAHACGSDWIPVGSSGSKFLALLVNLACVEVRLALEETGTEVKEDVVTACYALMELGIQECTRCEQSLLKEPQKVQLVSIMKEAIGAVIHYLLQVGPEKQKEPFVFASVRILGAWLAEETSSLRKEVCQLLPFLVRYAKTLYEEAEEASDISQQVANLAISPTTPGPSWPGDALRLLLPGWCHLTVEDGPREILIKEGAPSLLCKYFLQQWELTSPGHDTSVLPDSVEIGLQTCCHIFLNLVVTAPGLIKRDACFTSLMNTLMTSLPSLVQQQGRLLLAANVATLGLLMARLLSTSPALQGTPASRGFFAAAILFLSQSHVARATPGSDQAVLALSPDYEGIWADLQELWFLGMQAFTGCVPLLPWLAPAALRSRWPQELLQLLGSVSPNSVKPEMVAAYQGVLVELARANRLCREAMRLQAGEETASHYRMAALEQCLSEP 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 globular. Max score is recommended for pH analysis. (00:00:10)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:37:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3cf410cc304979/tmp/folded.pdb (00:37:28)
[INFO] Main: Simulation completed successfully. (00:50:54)
|
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 | 1.0977 | |
| 2 | S | A | 0.4854 | |
| 3 | C | A | 0.8380 | |
| 4 | C | A | 0.5047 | |
| 5 | D | A | -0.2878 | |
| 6 | L | A | 1.1696 | |
| 7 | A | A | 0.3867 | |
| 8 | A | A | 0.0205 | |
| 9 | A | A | -0.0073 | |
| 10 | G | A | -0.4307 | |
| 11 | Q | A | -0.9865 | |
| 12 | L | A | 0.2479 | |
| 13 | G | A | -0.9960 | |
| 14 | K | A | -1.5519 | |
| 15 | A | A | -0.2156 | |
| 16 | G | A | 0.3150 | |
| 17 | I | A | 2.0934 | |
| 18 | M | A | 1.6879 | |
| 19 | A | A | 0.5598 | |
| 20 | S | A | -0.5249 | |
| 21 | D | A | -1.9172 | |
| 22 | C | A | -1.1316 | |
| 23 | E | A | -1.8870 | |
| 24 | P | A | -0.9000 | |
| 25 | A | A | -0.1180 | |
| 26 | L | A | 0.3524 | |
| 27 | N | A | -1.3903 | |
| 28 | Q | A | -1.9065 | |
| 29 | A | A | -1.9225 | |
| 30 | E | A | -3.0546 | |
| 31 | S | A | -2.3431 | |
| 32 | R | A | -2.9689 | |
| 33 | N | A | -2.2526 | |
| 34 | P | A | -1.7546 | |
| 35 | T | A | -1.2575 | |
| 36 | L | A | 0.0000 | |
| 37 | E | A | -2.1156 | |
| 38 | R | A | -2.1414 | |
| 39 | Y | A | -1.1078 | |
| 40 | L | A | 0.0000 | |
| 41 | G | A | -2.0291 | |
| 42 | A | A | -2.0316 | |
| 43 | L | A | 0.0000 | |
| 44 | R | A | -3.2571 | |
| 45 | E | A | -3.4583 | |
| 46 | A | A | -3.0347 | |
| 47 | K | A | -3.3412 | |
| 48 | N | A | -2.6374 | |
| 49 | D | A | -1.8051 | |
| 50 | S | A | -1.3326 | |
| 51 | E | A | -2.0921 | |
| 52 | Q | A | -1.4095 | |
| 53 | F | A | 0.4188 | |
| 54 | A | A | 0.4652 | |
| 55 | A | A | 0.0000 | |
| 56 | L | A | 0.8740 | |
| 57 | L | A | 1.2838 | |
| 58 | L | A | 0.6543 | |
| 59 | V | A | 0.0000 | |
| 60 | T | A | -0.5471 | |
| 61 | K | A | -1.4443 | |
| 62 | A | A | -0.7735 | |
| 63 | V | A | -1.4984 | |
| 64 | K | A | -2.6007 | |
| 65 | A | A | -1.7205 | |
| 66 | G | A | -1.8442 | |
| 67 | D | A | -2.5774 | |
| 68 | I | A | -1.9210 | |
| 69 | D | A | -2.0285 | |
| 70 | A | A | -1.8117 | |
| 71 | K | A | -2.4466 | |
| 72 | T | A | -2.1753 | |
| 73 | R | A | -1.8486 | |
| 74 | R | A | -2.2207 | |
| 75 | R | A | -2.1123 | |
| 76 | I | A | -1.3996 | |
| 77 | F | A | 0.0000 | |
| 78 | D | A | -2.4499 | |
| 79 | A | A | 0.0000 | |
| 80 | V | A | 0.0000 | |
| 81 | G | A | -0.9424 | |
| 82 | F | A | -0.5087 | |
| 83 | T | A | -0.5915 | |
| 84 | F | A | 0.0000 | |
| 85 | P | A | 0.0000 | |
| 86 | N | A | -1.2598 | |
| 87 | R | A | -1.8630 | |
| 88 | L | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | T | A | -1.3268 | |
| 91 | T | A | -2.0959 | |
| 92 | K | A | -3.0728 | |
| 93 | E | A | -3.3490 | |
| 94 | A | A | -2.4625 | |
| 95 | P | A | -1.8158 | |
| 96 | D | A | -2.5452 | |
| 97 | G | A | -1.5720 | |
| 98 | C | A | -1.2637 | |
| 99 | P | A | -1.5025 | |
| 100 | D | A | -2.9265 | |
| 101 | H | A | -1.2920 | |
| 102 | V | A | -0.1324 | |
| 103 | L | A | -0.6179 | |
| 104 | R | A | -0.8004 | |
| 105 | A | A | 0.0000 | |
| 106 | L | A | 0.5245 | |
| 107 | G | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | A | A | -0.0338 | |
| 110 | L | A | 0.2833 | |
| 111 | L | A | 0.0000 | |
| 112 | A | A | 0.0000 | |
| 113 | C | A | 0.0319 | |
| 114 | F | A | 0.0000 | |
| 115 | C | A | 0.0000 | |
| 116 | S | A | -0.6905 | |
| 117 | D | A | -1.3185 | |
| 118 | P | A | -1.4254 | |
| 119 | E | A | -2.1366 | |
| 120 | L | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | S | A | 0.0000 | |
| 123 | H | A | -1.2586 | |
| 124 | P | A | -1.0166 | |
| 125 | Q | A | -1.1348 | |
| 126 | V | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | N | A | -1.6694 | |
| 129 | K | A | -0.8870 | |
| 130 | I | A | 0.0000 | |
| 131 | P | A | -0.4359 | |
| 132 | I | A | 0.1117 | |
| 133 | L | A | 0.0000 | |
| 134 | S | A | 0.0000 | |
| 135 | T | A | -0.1760 | |
| 136 | F | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | -0.8069 | |
| 139 | A | A | -1.0044 | |
| 140 | R | A | -2.4170 | |
| 141 | G | A | -2.6195 | |
| 142 | D | A | -3.2925 | |
| 143 | P | A | -2.4794 | |
| 144 | D | A | -2.7643 | |
| 145 | D | A | -2.1854 | |
| 146 | A | A | -1.2137 | |
| 147 | A | A | -0.5257 | |
| 148 | R | A | -1.3970 | |
| 149 | R | A | -1.6142 | |
| 150 | S | A | -0.9088 | |
| 151 | M | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | D | A | -1.4788 | |
| 154 | D | A | -1.0862 | |
| 155 | T | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | Q | A | -1.1827 | |
| 158 | C | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | T | A | -0.6008 | |
| 161 | A | A | -0.5122 | |
| 162 | V | A | 0.0000 | |
| 163 | A | A | -0.9158 | |
| 164 | G | A | -0.7526 | |
| 165 | T | A | 0.0000 | |
| 166 | P | A | -1.0988 | |
| 167 | R | A | -1.8568 | |
| 168 | G | A | 0.0000 | |
| 169 | P | A | -1.5495 | |
| 170 | R | A | -2.4783 | |
| 171 | H | A | -1.8769 | |
| 172 | L | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | A | A | -1.1695 | |
| 175 | G | A | -1.0603 | |
| 176 | G | A | -0.8079 | |
| 177 | T | A | 0.0000 | |
| 178 | V | A | 0.0000 | |
| 179 | S | A | -0.9516 | |
| 180 | A | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | C | A | 0.0000 | |
| 183 | Q | A | -0.8000 | |
| 184 | A | A | 0.0000 | |
| 185 | Y | A | -0.3721 | |
| 186 | L | A | 0.1283 | |
| 187 | G | A | -0.5884 | |
| 188 | H | A | -0.9302 | |
| 189 | G | A | -0.7064 | |
| 190 | Y | A | -0.4620 | |
| 191 | G | A | -0.7009 | |
| 192 | F | A | -0.6911 | |
| 193 | D | A | -1.8604 | |
| 194 | Q | A | -1.4039 | |
| 195 | A | A | 0.0000 | |
| 196 | L | A | -0.3604 | |
| 197 | A | A | -0.1646 | |
| 198 | L | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | V | A | 0.4376 | |
| 201 | G | A | 0.0859 | |
| 202 | L | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | A | A | -0.0947 | |
| 205 | A | A | -0.5060 | |
| 206 | A | A | -0.7559 | |
| 207 | E | A | -0.9351 | |
| 208 | T | A | -1.2518 | |
| 209 | Q | A | -2.1097 | |
| 210 | C | A | 0.0000 | |
| 211 | W | A | 0.0000 | |
| 212 | K | A | -3.2068 | |
| 213 | E | A | -3.2070 | |
| 214 | A | A | 0.0000 | |
| 215 | E | A | -2.3760 | |
| 216 | P | A | -1.3058 | |
| 217 | D | A | -1.0145 | |
| 218 | L | A | 0.0000 | |
| 219 | L | A | -0.2993 | |
| 220 | A | A | -0.3037 | |
| 221 | V | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | R | A | -1.1274 | |
| 224 | G | A | -0.7411 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | 0.0000 | |
| 227 | E | A | -2.5824 | |
| 228 | D | A | -2.8967 | |
| 229 | F | A | 0.0000 | |
| 230 | Q | A | -2.5720 | |
| 231 | R | A | -3.3918 | |
| 232 | A | A | -2.9570 | |
| 233 | E | A | -3.5018 | |
| 234 | D | A | -2.9418 | |
| 235 | A | A | -1.6950 | |
| 236 | S | A | -1.8400 | |
| 237 | K | A | -2.3091 | |
| 238 | F | A | 0.0000 | |
| 239 | E | A | -1.8931 | |
| 240 | L | A | -1.2627 | |
| 241 | C | A | 0.0000 | |
| 242 | Q | A | -1.2686 | |
| 243 | L | A | -0.4177 | |
| 244 | L | A | 0.0000 | |
| 245 | P | A | 0.0000 | |
| 246 | L | A | -0.0397 | |
| 247 | F | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | P | A | 0.0000 | |
| 250 | P | A | -0.6692 | |
| 251 | T | A | -0.2167 | |
| 252 | T | A | -0.4742 | |
| 253 | V | A | 0.0000 | |
| 254 | P | A | -0.7788 | |
| 255 | P | A | -1.8072 | |
| 256 | E | A | -2.5787 | |
| 257 | C | A | 0.0000 | |
| 258 | H | A | -2.0326 | |
| 259 | R | A | -2.5739 | |
| 260 | D | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | Q | A | -0.9619 | |
| 263 | A | A | -1.1607 | |
| 264 | G | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | A | A | -0.7333 | |
| 267 | R | A | -1.2360 | |
| 268 | I | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | G | A | -1.0211 | |
| 271 | S | A | -1.3716 | |
| 272 | K | A | -1.8413 | |
| 273 | L | A | -0.7126 | |
| 274 | S | A | -0.2815 | |
| 275 | S | A | 0.2138 | |
| 276 | W | A | 0.8688 | |
| 277 | Q | A | -0.3405 | |
| 278 | R | A | -0.4318 | |
| 279 | N | A | 0.0000 | |
| 280 | P | A | -0.7759 | |
| 281 | A | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | K | A | -1.6200 | |
| 284 | L | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | A | A | 0.0000 | |
| 287 | R | A | -1.8009 | |
| 288 | L | A | 0.0000 | |
| 289 | A | A | -1.2873 | |
| 290 | H | A | -1.5007 | |
| 291 | A | A | -1.0733 | |
| 292 | C | A | -1.0132 | |
| 293 | G | A | -1.1779 | |
| 294 | S | A | 0.0000 | |
| 295 | D | A | -1.6127 | |
| 296 | W | A | 0.0000 | |
| 297 | I | A | 0.0000 | |
| 298 | P | A | -0.0996 | |
| 299 | V | A | 1.1134 | |
| 300 | G | A | -0.0120 | |
| 301 | S | A | -0.7419 | |
| 302 | S | A | -0.6419 | |
| 303 | G | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | K | A | -1.7636 | |
| 306 | F | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | A | A | -0.6713 | |
| 309 | L | A | -0.1563 | |
| 310 | L | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | N | A | 0.2215 | |
| 313 | L | A | 0.5681 | |
| 314 | A | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | V | A | 0.9977 | |
| 317 | E | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | R | A | -0.7521 | |
| 320 | L | A | 0.0016 | |
| 321 | A | A | -1.2433 | |
| 322 | L | A | -1.6995 | |
| 323 | E | A | -2.5852 | |
| 324 | E | A | -2.7908 | |
| 325 | T | A | -1.7579 | |
| 326 | G | A | -1.5393 | |
| 327 | T | A | -1.9544 | |
| 328 | E | A | -2.6283 | |
| 329 | V | A | -2.4140 | |
| 330 | K | A | -3.1320 | |
| 331 | E | A | -3.0820 | |
| 332 | D | A | -2.9910 | |
| 333 | V | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | T | A | -1.3156 | |
| 336 | A | A | -1.2622 | |
| 337 | C | A | 0.0000 | |
| 338 | Y | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | L | A | 0.0000 | |
| 341 | M | A | 0.0000 | |
| 342 | E | A | -0.7306 | |
| 343 | L | A | 0.0000 | |
| 344 | G | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | Q | A | -1.1574 | |
| 347 | E | A | 0.0000 | |
| 348 | C | A | -0.6847 | |
| 349 | T | A | -0.8736 | |
| 350 | R | A | -0.9983 | |
| 351 | C | A | -0.6870 | |
| 352 | E | A | -2.1574 | |
| 353 | Q | A | -1.7318 | |
| 354 | S | A | -1.4920 | |
| 355 | L | A | -0.9176 | |
| 356 | L | A | 0.0000 | |
| 357 | K | A | -2.5978 | |
| 358 | E | A | -2.6536 | |
| 359 | P | A | -1.5537 | |
| 360 | Q | A | -1.6629 | |
| 361 | K | A | -0.9495 | |
| 362 | V | A | 0.4007 | |
| 363 | Q | A | -0.6739 | |
| 364 | L | A | 0.0000 | |
| 365 | V | A | 0.1933 | |
| 366 | S | A | -0.3621 | |
| 367 | I | A | -0.2135 | |
| 368 | M | A | 0.0000 | |
| 369 | K | A | -1.2500 | |
| 370 | E | A | -1.8462 | |
| 371 | A | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | G | A | -1.2927 | |
| 374 | A | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | H | A | -1.1736 | |
| 378 | Y | A | -0.6289 | |
| 379 | L | A | 0.0000 | |
| 380 | L | A | -0.2952 | |
| 381 | Q | A | -1.0473 | |
| 382 | V | A | -1.0343 | |
| 383 | G | A | -1.2884 | |
| 384 | P | A | -1.8993 | |
| 385 | E | A | -2.9656 | |
| 386 | K | A | -2.9929 | |
| 387 | Q | A | -2.3597 | |
| 388 | K | A | -3.0313 | |
| 389 | E | A | -2.5183 | |
| 390 | P | A | -1.3553 | |
| 391 | F | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | F | A | -0.5024 | |
| 394 | A | A | -0.4457 | |
| 395 | S | A | 0.0000 | |
| 396 | V | A | 0.0000 | |
| 397 | R | A | -0.7345 | |
| 398 | I | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | A | A | -0.7361 | |
| 402 | W | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | -1.0352 | |
| 405 | E | A | -2.1993 | |
| 406 | E | A | -1.4277 | |
| 407 | T | A | -0.9796 | |
| 408 | S | A | -0.9018 | |
| 409 | S | A | -0.7201 | |
| 410 | L | A | -1.3328 | |
| 411 | R | A | -1.8263 | |
| 412 | K | A | -2.5586 | |
| 413 | E | A | -1.9791 | |
| 414 | V | A | 0.0000 | |
| 415 | C | A | -1.5601 | |
| 416 | Q | A | -1.7560 | |
| 417 | L | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | P | A | -0.7413 | |
| 420 | F | A | -0.5727 | |
| 421 | L | A | 0.0000 | |
| 422 | V | A | 0.0000 | |
| 423 | R | A | -1.9245 | |
| 424 | Y | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | K | A | -1.6314 | |
| 427 | T | A | -1.7963 | |
| 428 | L | A | 0.0000 | |
| 429 | Y | A | -1.9933 | |
| 430 | E | A | -3.0148 | |
| 431 | E | A | -3.2081 | |
| 432 | A | A | -2.0537 | |
| 433 | E | A | -2.9751 | |
| 434 | E | A | -3.3517 | |
| 435 | A | A | -1.8469 | |
| 436 | S | A | -1.8274 | |
| 437 | D | A | -2.3710 | |
| 438 | I | A | 0.0395 | |
| 439 | S | A | -0.4611 | |
| 440 | Q | A | -1.5659 | |
| 441 | Q | A | -0.7582 | |
| 442 | V | A | 1.4626 | |
| 443 | A | A | 0.3264 | |
| 444 | N | A | -0.1528 | |
| 445 | L | A | 1.5801 | |
| 446 | A | A | 1.5154 | |
| 447 | I | A | 2.2371 | |
| 448 | S | A | 0.8066 | |
| 449 | P | A | -0.0153 | |
| 450 | T | A | -0.1752 | |
| 451 | T | A | -0.4756 | |
| 452 | P | A | -0.6906 | |
| 453 | G | A | -0.6637 | |
| 454 | P | A | -0.3570 | |
| 455 | S | A | 0.0207 | |
| 456 | W | A | 0.6117 | |
| 457 | P | A | -0.3931 | |
| 458 | G | A | -0.0400 | |
| 459 | D | A | -0.4438 | |
| 460 | A | A | 0.0000 | |
| 461 | L | A | 0.0000 | |
| 462 | R | A | -0.3239 | |
| 463 | L | A | -0.1588 | |
| 464 | L | A | 0.0000 | |
| 465 | L | A | 0.0000 | |
| 466 | P | A | -0.3367 | |
| 467 | G | A | 0.0000 | |
| 468 | W | A | 0.0000 | |
| 469 | C | A | -0.0449 | |
| 470 | H | A | -0.5189 | |
| 471 | L | A | 0.0000 | |
| 472 | T | A | 0.0000 | |
| 473 | V | A | 1.0810 | |
| 474 | E | A | -0.9788 | |
| 475 | D | A | -2.2111 | |
| 476 | G | A | -1.8137 | |
| 477 | P | A | 0.0000 | |
| 478 | R | A | -1.5730 | |
| 479 | E | A | -2.6665 | |
| 480 | I | A | -1.5046 | |
| 481 | L | A | 0.0000 | |
| 482 | I | A | -1.0015 | |
| 483 | K | A | -1.9489 | |
| 484 | E | A | 0.0000 | |
| 485 | G | A | -0.7827 | |
| 486 | A | A | 0.0000 | |
| 487 | P | A | 0.0000 | |
| 488 | S | A | -0.4737 | |
| 489 | L | A | 0.0000 | |
| 490 | L | A | 0.0000 | |
| 491 | C | A | 0.0000 | |
| 492 | K | A | -1.7102 | |
| 493 | Y | A | 0.0000 | |
| 494 | F | A | 0.0000 | |
| 495 | L | A | -1.0543 | |
| 496 | Q | A | -1.8470 | |
| 497 | Q | A | -1.1606 | |
| 498 | W | A | -1.0808 | |
| 499 | E | A | -2.0756 | |
| 500 | L | A | -0.9305 | |
| 501 | T | A | -0.8979 | |
| 502 | S | A | -1.3343 | |
| 503 | P | A | -1.3485 | |
| 504 | G | A | -1.5870 | |
| 505 | H | A | -1.8563 | |
| 506 | D | A | -1.8276 | |
| 507 | T | A | -0.7680 | |
| 508 | S | A | -0.0475 | |
| 509 | V | A | 0.8573 | |
| 510 | L | A | 0.0709 | |
| 511 | P | A | -0.2919 | |
| 512 | D | A | -1.3057 | |
| 513 | S | A | -0.5876 | |
| 514 | V | A | -0.1525 | |
| 515 | E | A | -0.1282 | |
| 516 | I | A | 0.7695 | |
| 517 | G | A | 0.0000 | |
| 518 | L | A | 0.0000 | |
| 519 | Q | A | 0.0000 | |
| 520 | T | A | 0.1845 | |
| 521 | C | A | 0.0000 | |
| 522 | C | A | 0.0000 | |
| 523 | H | A | -0.4758 | |
| 524 | I | A | 0.0000 | |
| 525 | F | A | 0.0000 | |
| 526 | L | A | 0.0000 | |
| 527 | N | A | 0.6515 | |
| 528 | L | A | 0.0000 | |
| 529 | V | A | 0.0000 | |
| 530 | V | A | 1.9028 | |
| 531 | T | A | 0.7096 | |
| 532 | A | A | -0.1059 | |
| 533 | P | A | -0.5068 | |
| 534 | G | A | -1.3096 | |
| 535 | L | A | -1.2965 | |
| 536 | I | A | 0.0000 | |
| 537 | K | A | -2.7645 | |
| 538 | R | A | -2.9078 | |
| 539 | D | A | -1.7216 | |
| 540 | A | A | -0.8180 | |
| 541 | C | A | -0.7220 | |
| 542 | F | A | 0.0000 | |
| 543 | T | A | -0.8969 | |
| 544 | S | A | -0.6451 | |
| 545 | L | A | 0.0000 | |
| 546 | M | A | 0.0000 | |
| 547 | N | A | -1.2294 | |
| 548 | T | A | -0.7223 | |
| 549 | L | A | 0.0000 | |
| 550 | M | A | 0.0000 | |
| 551 | T | A | -0.4768 | |
| 552 | S | A | 0.0000 | |
| 553 | L | A | 0.0000 | |
| 554 | P | A | -0.5134 | |
| 555 | S | A | -0.7136 | |
| 556 | L | A | 0.0000 | |
| 557 | V | A | -0.5693 | |
| 558 | Q | A | -1.5937 | |
| 559 | Q | A | -1.6692 | |
| 560 | Q | A | -2.1562 | |
| 561 | G | A | -1.3825 | |
| 562 | R | A | 0.0000 | |
| 563 | L | A | -0.4906 | |
| 564 | L | A | 0.1562 | |
| 565 | L | A | 0.0000 | |
| 566 | A | A | 0.0000 | |
| 567 | A | A | 0.0000 | |
| 568 | N | A | 0.0000 | |
| 569 | V | A | 0.0000 | |
| 570 | A | A | 0.0000 | |
| 571 | T | A | 0.0000 | |
| 572 | L | A | 0.0000 | |
| 573 | G | A | 0.0000 | |
| 574 | L | A | 0.0000 | |
| 575 | L | A | 0.0405 | |
| 576 | M | A | 0.0000 | |
| 577 | A | A | 0.0000 | |
| 578 | R | A | -0.7906 | |
| 579 | L | A | -0.5018 | |
| 580 | L | A | 0.0000 | |
| 581 | S | A | -0.5902 | |
| 582 | T | A | -0.5558 | |
| 583 | S | A | -0.6186 | |
| 584 | P | A | -0.6861 | |
| 585 | A | A | -0.7159 | |
| 586 | L | A | 0.0000 | |
| 587 | Q | A | -1.4575 | |
| 588 | G | A | -1.2337 | |
| 589 | T | A | -1.0312 | |
| 590 | P | A | -1.0635 | |
| 591 | A | A | -1.0737 | |
| 592 | S | A | 0.0000 | |
| 593 | R | A | -2.1235 | |
| 594 | G | A | -1.1350 | |
| 595 | F | A | 0.0000 | |
| 596 | F | A | 0.0000 | |
| 597 | A | A | -0.4834 | |
| 598 | A | A | 0.0000 | |
| 599 | A | A | 0.0000 | |
| 600 | I | A | 0.0000 | |
| 601 | L | A | 0.6282 | |
| 602 | F | A | 0.0000 | |
| 603 | L | A | 0.0000 | |
| 604 | S | A | -0.5051 | |
| 605 | Q | A | -0.6743 | |
| 606 | S | A | 0.0000 | |
| 607 | H | A | -0.3208 | |
| 608 | V | A | 0.3915 | |
| 609 | A | A | -0.2232 | |
| 610 | R | A | -0.7967 | |
| 611 | A | A | -0.9387 | |
| 612 | T | A | -0.9638 | |
| 613 | P | A | -1.0270 | |
| 614 | G | A | -1.2065 | |
| 615 | S | A | -1.6172 | |
| 616 | D | A | -2.5588 | |
| 617 | Q | A | -2.2189 | |
| 618 | A | A | -1.0524 | |
| 619 | V | A | -0.1194 | |
| 620 | L | A | 0.0000 | |
| 621 | A | A | -0.0086 | |
| 622 | L | A | -0.5631 | |
| 623 | S | A | 0.0000 | |
| 624 | P | A | -1.4678 | |
| 625 | D | A | -2.5448 | |
| 626 | Y | A | 0.0000 | |
| 627 | E | A | -1.6850 | |
| 628 | G | A | -1.2971 | |
| 629 | I | A | -0.7945 | |
| 630 | W | A | -1.1808 | |
| 631 | A | A | -1.2758 | |
| 632 | D | A | -2.0806 | |
| 633 | L | A | 0.0000 | |
| 634 | Q | A | -1.6906 | |
| 635 | E | A | -2.2319 | |
| 636 | L | A | 0.0000 | |
| 637 | W | A | 0.0000 | |
| 638 | F | A | -0.7797 | |
| 639 | L | A | -0.4054 | |
| 640 | G | A | 0.0000 | |
| 641 | M | A | 0.0000 | |
| 642 | Q | A | -0.9857 | |
| 643 | A | A | 0.0000 | |
| 644 | F | A | 0.0000 | |
| 645 | T | A | -0.6005 | |
| 646 | G | A | -0.5829 | |
| 647 | C | A | 0.0000 | |
| 648 | V | A | 0.0000 | |
| 649 | P | A | -0.4813 | |
| 650 | L | A | 0.0878 | |
| 651 | L | A | 0.0000 | |
| 652 | P | A | -0.2928 | |
| 653 | W | A | -0.4257 | |
| 654 | L | A | 0.0000 | |
| 655 | A | A | 0.0000 | |
| 656 | P | A | -0.4773 | |
| 657 | A | A | -1.1703 | |
| 658 | A | A | 0.0000 | |
| 659 | L | A | -1.2204 | |
| 660 | R | A | -2.4208 | |
| 661 | S | A | -1.9012 | |
| 662 | R | A | -3.0142 | |
| 663 | W | A | 0.0000 | |
| 664 | P | A | 0.0000 | |
| 665 | Q | A | -2.1408 | |
| 666 | E | A | -2.9627 | |
| 667 | L | A | 0.0000 | |
| 668 | L | A | 0.0000 | |
| 669 | Q | A | -2.1103 | |
| 670 | L | A | -0.9048 | |
| 671 | L | A | 0.0000 | |
| 672 | G | A | -1.6463 | |
| 673 | S | A | -0.9665 | |
| 674 | V | A | 0.0000 | |
| 675 | S | A | -1.0303 | |
| 676 | P | A | -1.4557 | |
| 677 | N | A | -1.5889 | |
| 678 | S | A | -0.9249 | |
| 679 | V | A | 0.0000 | |
| 680 | K | A | -2.5930 | |
| 681 | P | A | -2.2012 | |
| 682 | E | A | -2.3566 | |
| 683 | M | A | 0.0000 | |
| 684 | V | A | -1.1906 | |
| 685 | A | A | -1.1501 | |
| 686 | A | A | -0.6536 | |
| 687 | Y | A | 0.0000 | |
| 688 | Q | A | -0.6557 | |
| 689 | G | A | -0.4285 | |
| 690 | V | A | 0.0000 | |
| 691 | L | A | 0.0000 | |
| 692 | V | A | -0.8409 | |
| 693 | E | A | -0.9988 | |
| 694 | L | A | 0.0000 | |
| 695 | A | A | 0.0000 | |
| 696 | R | A | -2.4468 | |
| 697 | A | A | -1.2898 | |
| 698 | N | A | -1.4784 | |
| 699 | R | A | -2.1894 | |
| 700 | L | A | -0.4967 | |
| 701 | C | A | 0.0000 | |
| 702 | R | A | -1.7335 | |
| 703 | E | A | -1.4594 | |
| 704 | A | A | 0.0000 | |
| 705 | M | A | 0.0000 | |
| 706 | R | A | -0.8613 | |
| 707 | L | A | 0.6045 | |
| 708 | Q | A | -0.9609 | |
| 709 | A | A | -0.9171 | |
| 710 | G | A | 0.0000 | |
| 711 | E | A | -2.1887 | |
| 712 | E | A | -2.9494 | |
| 713 | T | A | 0.0000 | |
| 714 | A | A | 0.0000 | |
| 715 | S | A | -2.3803 | |
| 716 | H | A | -2.2590 | |
| 717 | Y | A | 0.0000 | |
| 718 | R | A | -2.5220 | |
| 719 | M | A | 0.0000 | |
| 720 | A | A | -1.3665 | |
| 721 | A | A | -0.9502 | |
| 722 | L | A | 0.0000 | |
| 723 | E | A | -2.6673 | |
| 724 | Q | A | -2.2243 | |
| 725 | C | A | 0.0000 | |
| 726 | L | A | 0.0000 | |
| 727 | S | A | -2.0098 | |
| 728 | E | A | -2.6251 | |
| 729 | P | A | -1.5051 |
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 | -0.4231 | 3.7809 | View | CSV | PDB |
| 4.5 | -0.4973 | 3.6635 | View | CSV | PDB |
| 5.0 | -0.5889 | 3.5943 | View | CSV | PDB |
| 5.5 | -0.6832 | 3.5943 | View | CSV | PDB |
| 6.0 | -0.7656 | 3.5943 | View | CSV | PDB |
| 6.5 | -0.8247 | 3.5943 | View | CSV | PDB |
| 7.0 | -0.8578 | 3.5943 | View | CSV | PDB |
| 7.5 | -0.8717 | 3.5943 | View | CSV | PDB |
| 8.0 | -0.874 | 3.5943 | View | CSV | PDB |
| 8.5 | -0.8673 | 3.6462 | View | CSV | PDB |
| 9.0 | -0.8507 | 3.7073 | 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