| Chain sequence(s) | MADLEAVLADVSYLMAMEKSKATPAARASKKVVLPEPSIRSVMQRYLAERNEITFDKIFNQKIGFLLFKDFCLNEIGEAVPQVKFYEEIKEYEKLDNEEDRLHRSRQMYDAYIMRELLSSTHQFSKQAVEHVQSHLSKKQVTPTLFQPYIEEICESLRGDIFQKFMESEKFTRFCQWKNVELNIHLSMNDFSVHRIIGRGGFGEVYGCRKADTGKMYAMKCLDKKRVKMKQGETLALNERIMLSLVSTGDCPFIVCMTYAFHTPDKLCFILDLMNGGDMHYHLSQHGVFSEKEMRFYASEIILGLEHMHTCFVVYRDLKPANILLDEYGHVRISDLGLACDFSKKKPHASVGTHGYMAPEVLQKGTCYDSSADWFSLGCMLFKLLRGHSPFRQHKTKDKHEIDRMTLTVNVQLPDAFSPELRSLLEGLLQRDVSQRLGCYGGGARELKEHIFFKGIDWQYVYLRKYPPPLIPPRGEVNAADAFDIGSFDEEDTKGIKLLDCDQDLYKNFPLMISERWQQEVVETIYDAVNAETDKIEARKKAKNKQLCQEEDYAMGKDCIMHGYMLKLGNPFLTQWQRRYFYLFPNRLEWRGEGESRQNLLTMEQIMSVEETQIKDRKCILLRVKGGKQFVLQCESDPEFAQWLKELTCTFNEAQRLLRRAPKFLNKPRAAILEFSKPPLCHRNSSGL 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:18:59)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/fb5d7441b6381d/tmp/folded.pdb (00:18:59)
[INFO] Main: Simulation completed successfully. (00:27:14)
|
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 | 0.4303 | |
| 2 | A | A | 0.0778 | |
| 3 | D | A | -0.5354 | |
| 4 | L | A | 0.6507 | |
| 5 | E | A | -0.4908 | |
| 6 | A | A | 0.4396 | |
| 7 | V | A | 1.7094 | |
| 8 | L | A | 1.8282 | |
| 9 | A | A | 0.9639 | |
| 10 | D | A | 0.7952 | |
| 11 | V | A | 1.7586 | |
| 12 | S | A | 1.3701 | |
| 13 | Y | A | 0.0000 | |
| 14 | L | A | -0.2521 | |
| 15 | M | A | 0.2700 | |
| 16 | A | A | 0.0000 | |
| 17 | M | A | -1.1989 | |
| 18 | E | A | -2.6807 | |
| 19 | K | A | -2.7538 | |
| 20 | S | A | -2.2018 | |
| 21 | K | A | -2.7136 | |
| 22 | A | A | -1.4925 | |
| 23 | T | A | -1.2085 | |
| 24 | P | A | -1.3627 | |
| 25 | A | A | -0.8411 | |
| 26 | A | A | -0.5694 | |
| 27 | R | A | -1.3766 | |
| 28 | A | A | -1.3595 | |
| 29 | S | A | -1.4098 | |
| 30 | K | A | -1.9209 | |
| 31 | K | A | -1.7258 | |
| 32 | V | A | -0.0314 | |
| 33 | V | A | 1.0857 | |
| 34 | L | A | 0.0000 | |
| 35 | P | A | 0.0335 | |
| 36 | E | A | -0.2785 | |
| 37 | P | A | -0.7589 | |
| 38 | S | A | -0.3597 | |
| 39 | I | A | 0.0000 | |
| 40 | R | A | -0.8655 | |
| 41 | S | A | -0.4328 | |
| 42 | V | A | 0.0000 | |
| 43 | M | A | 0.0000 | |
| 44 | Q | A | -0.9640 | |
| 45 | R | A | -1.5114 | |
| 46 | Y | A | -1.3452 | |
| 47 | L | A | 0.0000 | |
| 48 | A | A | -1.8210 | |
| 49 | E | A | -2.4899 | |
| 50 | R | A | -2.6867 | |
| 51 | N | A | -2.6936 | |
| 52 | E | A | -2.2866 | |
| 53 | I | A | -1.3014 | |
| 54 | T | A | -1.1601 | |
| 55 | F | A | 0.0000 | |
| 56 | D | A | -2.0033 | |
| 57 | K | A | -2.3348 | |
| 58 | I | A | 0.0000 | |
| 59 | F | A | 0.0000 | |
| 60 | N | A | -2.1081 | |
| 61 | Q | A | -1.4483 | |
| 62 | K | A | -0.7585 | |
| 63 | I | A | 0.0000 | |
| 64 | G | A | 0.0000 | |
| 65 | F | A | -0.4646 | |
| 66 | L | A | 0.1099 | |
| 67 | L | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | K | A | -0.8366 | |
| 70 | D | A | -1.0747 | |
| 71 | F | A | 0.0000 | |
| 72 | C | A | 0.0000 | |
| 73 | L | A | -1.3067 | |
| 74 | N | A | -2.1332 | |
| 75 | E | A | -2.7849 | |
| 76 | I | A | -1.8226 | |
| 77 | G | A | -1.7370 | |
| 78 | E | A | -2.0523 | |
| 79 | A | A | 0.0000 | |
| 80 | V | A | -0.9525 | |
| 81 | P | A | -0.6796 | |
| 82 | Q | A | 0.0000 | |
| 83 | V | A | 0.0000 | |
| 84 | K | A | -1.3801 | |
| 85 | F | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | E | A | -2.0483 | |
| 88 | E | A | -2.0379 | |
| 89 | I | A | 0.0000 | |
| 90 | K | A | -2.8012 | |
| 91 | E | A | -3.3869 | |
| 92 | Y | A | 0.0000 | |
| 93 | E | A | -2.9047 | |
| 94 | K | A | -2.9613 | |
| 95 | L | A | -2.4011 | |
| 96 | D | A | -1.8317 | |
| 97 | N | A | -2.3876 | |
| 98 | E | A | -3.6806 | |
| 99 | E | A | -3.7161 | |
| 100 | D | A | -3.1065 | |
| 101 | R | A | -3.2187 | |
| 102 | L | A | -2.7999 | |
| 103 | H | A | -2.5588 | |
| 104 | R | A | -2.7228 | |
| 105 | S | A | 0.0000 | |
| 106 | R | A | -2.6496 | |
| 107 | Q | A | -2.4906 | |
| 108 | M | A | 0.0000 | |
| 109 | Y | A | 0.0000 | |
| 110 | D | A | -2.7964 | |
| 111 | A | A | -1.7110 | |
| 112 | Y | A | -1.2083 | |
| 113 | I | A | 0.0000 | |
| 114 | M | A | -1.0228 | |
| 115 | R | A | -1.9379 | |
| 116 | E | A | -1.4931 | |
| 117 | L | A | -0.5597 | |
| 118 | L | A | 0.6622 | |
| 119 | S | A | -0.2617 | |
| 120 | S | A | -0.6101 | |
| 121 | T | A | -1.0681 | |
| 122 | H | A | -1.9351 | |
| 123 | Q | A | -1.9363 | |
| 124 | F | A | -1.3853 | |
| 125 | S | A | -1.9573 | |
| 126 | K | A | -3.0316 | |
| 127 | Q | A | -2.8035 | |
| 128 | A | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | E | A | -3.2363 | |
| 131 | H | A | -2.1643 | |
| 132 | V | A | 0.0000 | |
| 133 | Q | A | -2.5077 | |
| 134 | S | A | -2.2292 | |
| 135 | H | A | -2.5008 | |
| 136 | L | A | 0.0000 | |
| 137 | S | A | -2.1592 | |
| 138 | K | A | -3.2576 | |
| 139 | K | A | -3.7982 | |
| 140 | Q | A | -2.9124 | |
| 141 | V | A | -2.2673 | |
| 142 | T | A | -1.0672 | |
| 143 | P | A | -1.4519 | |
| 144 | T | A | -0.6101 | |
| 145 | L | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | Q | A | -1.3224 | |
| 148 | P | A | -1.2422 | |
| 149 | Y | A | 0.0000 | |
| 150 | I | A | -1.4682 | |
| 151 | E | A | -2.5726 | |
| 152 | E | A | -2.1602 | |
| 153 | I | A | 0.0000 | |
| 154 | C | A | -1.8637 | |
| 155 | E | A | -2.7275 | |
| 156 | S | A | -1.9817 | |
| 157 | L | A | 0.0000 | |
| 158 | R | A | -2.1949 | |
| 159 | G | A | -2.3411 | |
| 160 | D | A | -2.7350 | |
| 161 | I | A | 0.0000 | |
| 162 | F | A | 0.0000 | |
| 163 | Q | A | -2.6603 | |
| 164 | K | A | -2.7111 | |
| 165 | F | A | 0.0000 | |
| 166 | M | A | -1.8938 | |
| 167 | E | A | -2.7584 | |
| 168 | S | A | -2.4556 | |
| 169 | E | A | -2.4067 | |
| 170 | K | A | -1.7519 | |
| 171 | F | A | 0.0000 | |
| 172 | T | A | 0.0000 | |
| 173 | R | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | C | A | 0.0000 | |
| 176 | Q | A | 0.0000 | |
| 177 | W | A | 0.0000 | |
| 178 | K | A | 0.0000 | |
| 179 | N | A | 0.0000 | |
| 180 | V | A | 0.5395 | |
| 181 | E | A | 0.0000 | |
| 182 | L | A | 0.1329 | |
| 183 | N | A | -0.7832 | |
| 184 | I | A | -0.0665 | |
| 185 | H | A | -0.8942 | |
| 186 | L | A | -0.4896 | |
| 187 | S | A | -0.5648 | |
| 188 | M | A | -0.3293 | |
| 189 | N | A | -1.1585 | |
| 190 | D | A | -1.0453 | |
| 191 | F | A | 0.0000 | |
| 192 | S | A | -0.0814 | |
| 193 | V | A | 0.6602 | |
| 194 | H | A | 0.4526 | |
| 195 | R | A | 0.0000 | |
| 196 | I | A | 0.5623 | |
| 197 | I | A | 0.1580 | |
| 198 | G | A | -0.3176 | |
| 199 | R | A | -0.5948 | |
| 200 | G | A | -0.8480 | |
| 201 | G | A | -0.8086 | |
| 202 | F | A | -0.5152 | |
| 203 | G | A | 0.0000 | |
| 204 | E | A | -0.2719 | |
| 205 | V | A | 0.1818 | |
| 206 | Y | A | 0.6227 | |
| 207 | G | A | 0.0000 | |
| 208 | C | A | 0.0000 | |
| 209 | R | A | 0.0000 | |
| 210 | K | A | 0.0000 | |
| 211 | A | A | 0.0000 | |
| 212 | D | A | -1.2761 | |
| 213 | T | A | 0.0000 | |
| 214 | G | A | 0.0000 | |
| 215 | K | A | -0.9403 | |
| 216 | M | A | -0.2129 | |
| 217 | Y | A | 0.0000 | |
| 218 | A | A | 0.0000 | |
| 219 | M | A | 0.0000 | |
| 220 | K | A | -0.2868 | |
| 221 | C | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | D | A | -0.9328 | |
| 224 | K | A | 0.0000 | |
| 225 | K | A | -1.9020 | |
| 226 | R | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | K | A | -1.5204 | |
| 229 | M | A | -1.4011 | |
| 230 | K | A | -2.1594 | |
| 231 | Q | A | -2.0183 | |
| 232 | G | A | 0.0000 | |
| 233 | E | A | -0.5863 | |
| 234 | T | A | -0.0124 | |
| 235 | L | A | 0.3336 | |
| 236 | A | A | 0.0000 | |
| 237 | L | A | 0.4104 | |
| 238 | N | A | 0.3803 | |
| 239 | E | A | 0.0000 | |
| 240 | R | A | 0.4169 | |
| 241 | I | A | 1.3311 | |
| 242 | M | A | 0.0000 | |
| 243 | L | A | 0.0000 | |
| 244 | S | A | 0.7159 | |
| 245 | L | A | 1.0686 | |
| 246 | V | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | T | A | -0.5716 | |
| 249 | G | A | -1.1124 | |
| 250 | D | A | -1.4604 | |
| 251 | C | A | 0.0000 | |
| 252 | P | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | C | A | 0.0000 | |
| 257 | M | A | 0.0000 | |
| 258 | T | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | A | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | H | A | -1.1458 | |
| 263 | T | A | -0.8151 | |
| 264 | P | A | -1.0893 | |
| 265 | D | A | -1.9214 | |
| 266 | K | A | -1.3195 | |
| 267 | L | A | 0.0000 | |
| 268 | C | A | 0.0000 | |
| 269 | F | A | 0.0000 | |
| 270 | I | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | D | A | -0.2436 | |
| 273 | L | A | 0.0563 | |
| 274 | M | A | 0.0000 | |
| 275 | N | A | -0.5960 | |
| 276 | G | A | 0.0000 | |
| 277 | G | A | -0.2411 | |
| 278 | D | A | -0.4545 | |
| 279 | M | A | 0.0000 | |
| 280 | H | A | -0.7485 | |
| 281 | Y | A | -0.3556 | |
| 282 | H | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | S | A | -0.8648 | |
| 285 | Q | A | -1.5278 | |
| 286 | H | A | -1.1362 | |
| 287 | G | A | -0.5685 | |
| 288 | V | A | 0.3014 | |
| 289 | F | A | 0.0000 | |
| 290 | S | A | -0.9461 | |
| 291 | E | A | -1.4572 | |
| 292 | K | A | -2.2370 | |
| 293 | E | A | -1.2431 | |
| 294 | M | A | 0.0000 | |
| 295 | R | A | -1.1027 | |
| 296 | F | A | -0.5095 | |
| 297 | Y | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | S | A | 0.0000 | |
| 300 | E | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | G | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -0.6627 | |
| 307 | H | A | -0.3213 | |
| 308 | M | A | 0.0000 | |
| 309 | H | A | 0.2125 | |
| 310 | T | A | 0.2725 | |
| 311 | C | A | 0.8557 | |
| 312 | F | A | 1.1319 | |
| 313 | V | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | Y | A | 0.0000 | |
| 316 | R | A | -0.1115 | |
| 317 | D | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | K | A | -0.4254 | |
| 320 | P | A | 0.0000 | |
| 321 | A | A | -0.3920 | |
| 322 | N | A | 0.0000 | |
| 323 | I | A | 0.0000 | |
| 324 | L | A | -0.2184 | |
| 325 | L | A | 0.0000 | |
| 326 | D | A | -0.1677 | |
| 327 | E | A | -0.3481 | |
| 328 | Y | A | 0.5094 | |
| 329 | G | A | 0.0000 | |
| 330 | H | A | -0.1079 | |
| 331 | V | A | 0.0000 | |
| 332 | R | A | -0.3347 | |
| 333 | I | A | 0.0000 | |
| 334 | S | A | -0.6046 | |
| 335 | D | A | -1.0174 | |
| 336 | L | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | L | A | 0.2562 | |
| 339 | A | A | 0.0000 | |
| 340 | C | A | 0.0236 | |
| 341 | D | A | -0.4193 | |
| 342 | F | A | -1.1118 | |
| 343 | S | A | -1.1688 | |
| 344 | K | A | -2.6698 | |
| 345 | K | A | -3.2057 | |
| 346 | K | A | -2.3697 | |
| 347 | P | A | -1.5391 | |
| 348 | H | A | -1.8778 | |
| 349 | A | A | -1.0450 | |
| 350 | S | A | -0.7810 | |
| 351 | V | A | 0.2202 | |
| 352 | G | A | 0.0054 | |
| 353 | T | A | -0.3406 | |
| 354 | H | A | -1.4003 | |
| 355 | G | A | 0.0000 | |
| 356 | Y | A | 0.0000 | |
| 357 | M | A | 0.0000 | |
| 358 | A | A | 0.0000 | |
| 359 | P | A | 0.0000 | |
| 360 | E | A | 0.0000 | |
| 361 | V | A | 0.0000 | |
| 362 | L | A | -1.1105 | |
| 363 | Q | A | -1.7673 | |
| 364 | K | A | -2.4584 | |
| 365 | G | A | -1.6639 | |
| 366 | T | A | -1.1603 | |
| 367 | C | A | -0.8839 | |
| 368 | Y | A | 0.0000 | |
| 369 | D | A | -0.6265 | |
| 370 | S | A | -0.1500 | |
| 371 | S | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | D | A | 0.0000 | |
| 374 | W | A | 0.0000 | |
| 375 | F | A | 0.0000 | |
| 376 | S | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | G | A | 0.0000 | |
| 379 | C | A | 0.0000 | |
| 380 | M | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | F | A | 0.0000 | |
| 383 | K | A | -0.6560 | |
| 384 | L | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | R | A | -0.8672 | |
| 387 | G | A | -0.6116 | |
| 388 | H | A | -1.3012 | |
| 389 | S | A | 0.0000 | |
| 390 | P | A | 0.0000 | |
| 391 | F | A | 0.0000 | |
| 392 | R | A | -2.8596 | |
| 393 | Q | A | -2.5624 | |
| 394 | H | A | -2.6039 | |
| 395 | K | A | -3.2193 | |
| 396 | T | A | -3.1730 | |
| 397 | K | A | -3.7061 | |
| 398 | D | A | -3.6433 | |
| 399 | K | A | -3.8135 | |
| 400 | H | A | -3.6402 | |
| 401 | E | A | -4.1456 | |
| 402 | I | A | 0.0000 | |
| 403 | D | A | -2.5157 | |
| 404 | R | A | -2.6840 | |
| 405 | M | A | -1.5306 | |
| 406 | T | A | 0.0000 | |
| 407 | L | A | -0.6759 | |
| 408 | T | A | -0.3139 | |
| 409 | V | A | -0.2080 | |
| 410 | N | A | -1.4522 | |
| 411 | V | A | -1.1192 | |
| 412 | Q | A | -1.7776 | |
| 413 | L | A | 0.0000 | |
| 414 | P | A | -1.3158 | |
| 415 | D | A | -2.0168 | |
| 416 | A | A | -0.9080 | |
| 417 | F | A | 0.0000 | |
| 418 | S | A | -0.9398 | |
| 419 | P | A | -0.8835 | |
| 420 | E | A | -1.0613 | |
| 421 | L | A | 0.0000 | |
| 422 | R | A | -1.6672 | |
| 423 | S | A | -1.0252 | |
| 424 | L | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | E | A | -2.4797 | |
| 427 | G | A | -1.4784 | |
| 428 | L | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | Q | A | -2.4355 | |
| 431 | R | A | -2.5723 | |
| 432 | D | A | -2.6200 | |
| 433 | V | A | -0.9753 | |
| 434 | S | A | -1.0228 | |
| 435 | Q | A | -1.7348 | |
| 436 | R | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | C | A | 0.1412 | |
| 440 | Y | A | 0.6710 | |
| 441 | G | A | -0.1655 | |
| 442 | G | A | -0.6704 | |
| 443 | G | A | -0.7940 | |
| 444 | A | A | 0.0000 | |
| 445 | R | A | -2.6164 | |
| 446 | E | A | -1.7017 | |
| 447 | L | A | 0.0000 | |
| 448 | K | A | -2.0126 | |
| 449 | E | A | -2.5373 | |
| 450 | H | A | -1.1379 | |
| 451 | I | A | 0.1484 | |
| 452 | F | A | 0.0000 | |
| 453 | F | A | 0.0000 | |
| 454 | K | A | -1.8969 | |
| 455 | G | A | -1.2955 | |
| 456 | I | A | -0.9889 | |
| 457 | D | A | -1.0787 | |
| 458 | W | A | -0.3948 | |
| 459 | Q | A | -0.6666 | |
| 460 | Y | A | -0.3895 | |
| 461 | V | A | 0.0000 | |
| 462 | Y | A | 0.0337 | |
| 463 | L | A | -0.3588 | |
| 464 | R | A | -1.0097 | |
| 465 | K | A | -1.4730 | |
| 466 | Y | A | -0.5391 | |
| 467 | P | A | -0.2632 | |
| 468 | P | A | 0.1655 | |
| 469 | P | A | 0.0597 | |
| 470 | L | A | 0.7262 | |
| 471 | I | A | 1.3382 | |
| 472 | P | A | 0.0000 | |
| 473 | P | A | -1.3225 | |
| 474 | R | A | -2.5078 | |
| 475 | G | A | -2.2254 | |
| 476 | E | A | -2.5127 | |
| 477 | V | A | -1.3493 | |
| 478 | N | A | 0.0000 | |
| 479 | A | A | -0.7404 | |
| 480 | A | A | -0.9038 | |
| 481 | D | A | -1.4433 | |
| 482 | A | A | -0.5856 | |
| 483 | F | A | 0.2042 | |
| 484 | D | A | -1.4965 | |
| 485 | I | A | -0.6893 | |
| 486 | G | A | -0.6362 | |
| 487 | S | A | -0.7526 | |
| 488 | F | A | -1.6986 | |
| 489 | D | A | -3.8738 | |
| 490 | E | A | -4.5416 | |
| 491 | E | A | -4.7291 | |
| 492 | D | A | -4.2140 | |
| 493 | T | A | -3.4560 | |
| 494 | K | A | -3.9714 | |
| 495 | G | A | -2.3497 | |
| 496 | I | A | -1.6766 | |
| 497 | K | A | -2.1036 | |
| 498 | L | A | 0.0000 | |
| 499 | L | A | -0.5077 | |
| 500 | D | A | -1.7015 | |
| 501 | C | A | -0.4782 | |
| 502 | D | A | -1.1278 | |
| 503 | Q | A | -1.7911 | |
| 504 | D | A | -2.4187 | |
| 505 | L | A | -0.8542 | |
| 506 | Y | A | 0.0000 | |
| 507 | K | A | -2.8105 | |
| 508 | N | A | -2.1629 | |
| 509 | F | A | 0.0000 | |
| 510 | P | A | -0.7573 | |
| 511 | L | A | 0.2937 | |
| 512 | M | A | 0.4324 | |
| 513 | I | A | 0.2538 | |
| 514 | S | A | -0.1620 | |
| 515 | E | A | -1.0161 | |
| 516 | R | A | 0.0000 | |
| 517 | W | A | 0.0000 | |
| 518 | Q | A | 0.0000 | |
| 519 | Q | A | -0.9683 | |
| 520 | E | A | 0.0000 | |
| 521 | V | A | 0.0000 | |
| 522 | V | A | -0.8216 | |
| 523 | E | A | -1.7910 | |
| 524 | T | A | -1.1956 | |
| 525 | I | A | 0.0000 | |
| 526 | Y | A | 0.0000 | |
| 527 | D | A | -2.1087 | |
| 528 | A | A | -1.1237 | |
| 529 | V | A | 0.0000 | |
| 530 | N | A | -1.3704 | |
| 531 | A | A | -1.7885 | |
| 532 | E | A | -1.9601 | |
| 533 | T | A | 0.0000 | |
| 534 | D | A | -2.5341 | |
| 535 | K | A | -2.8063 | |
| 536 | I | A | -1.4133 | |
| 537 | E | A | -2.3178 | |
| 538 | A | A | -2.6990 | |
| 539 | R | A | -3.4948 | |
| 540 | K | A | -3.6105 | |
| 541 | K | A | -4.0938 | |
| 542 | A | A | -3.3144 | |
| 543 | K | A | -3.7555 | |
| 544 | N | A | -3.5277 | |
| 545 | K | A | -3.5072 | |
| 546 | Q | A | -2.0483 | |
| 547 | L | A | -0.3692 | |
| 548 | C | A | -0.6955 | |
| 549 | Q | A | -2.0886 | |
| 550 | E | A | -3.1530 | |
| 551 | E | A | -3.9163 | |
| 552 | D | A | -2.9724 | |
| 553 | Y | A | -1.5759 | |
| 554 | A | A | -1.2235 | |
| 555 | M | A | -0.8595 | |
| 556 | G | A | -1.1800 | |
| 557 | K | A | -2.1628 | |
| 558 | D | A | -2.3602 | |
| 559 | C | A | -0.9050 | |
| 560 | I | A | -0.3213 | |
| 561 | M | A | 0.0000 | |
| 562 | H | A | -0.0282 | |
| 563 | G | A | 0.0000 | |
| 564 | Y | A | -0.3514 | |
| 565 | M | A | 0.0000 | |
| 566 | L | A | -0.5400 | |
| 567 | K | A | -0.5382 | |
| 568 | L | A | -0.5528 | |
| 569 | G | A | -0.5217 | |
| 570 | N | A | -1.0842 | |
| 571 | P | A | -0.2300 | |
| 572 | F | A | 1.4452 | |
| 573 | L | A | 0.5093 | |
| 574 | T | A | -0.1599 | |
| 575 | Q | A | -1.0229 | |
| 576 | W | A | -0.6713 | |
| 577 | Q | A | -0.9917 | |
| 578 | R | A | -1.3744 | |
| 579 | R | A | -1.2067 | |
| 580 | Y | A | -0.6890 | |
| 581 | F | A | 0.0000 | |
| 582 | Y | A | 0.0000 | |
| 583 | L | A | 0.0000 | |
| 584 | F | A | 0.0000 | |
| 585 | P | A | -1.3049 | |
| 586 | N | A | -1.9677 | |
| 587 | R | A | -1.0749 | |
| 588 | L | A | 0.0000 | |
| 589 | E | A | 0.0000 | |
| 590 | W | A | 0.0000 | |
| 591 | R | A | -1.9544 | |
| 592 | G | A | -2.2728 | |
| 593 | E | A | -2.5237 | |
| 594 | G | A | -1.8698 | |
| 595 | E | A | -2.4201 | |
| 596 | S | A | -2.1249 | |
| 597 | R | A | -2.6909 | |
| 598 | Q | A | -1.9768 | |
| 599 | N | A | -1.6834 | |
| 600 | L | A | -0.2191 | |
| 601 | L | A | 0.0000 | |
| 602 | T | A | -0.8770 | |
| 603 | M | A | 0.0000 | |
| 604 | E | A | -1.6878 | |
| 605 | Q | A | -1.8937 | |
| 606 | I | A | 0.0000 | |
| 607 | M | A | -0.6007 | |
| 608 | S | A | -0.4559 | |
| 609 | V | A | -0.5044 | |
| 610 | E | A | -1.3537 | |
| 611 | E | A | -2.4118 | |
| 612 | T | A | -2.1994 | |
| 613 | Q | A | -3.2396 | |
| 614 | I | A | -2.3542 | |
| 615 | K | A | -3.3569 | |
| 616 | D | A | -3.9315 | |
| 617 | R | A | -3.9647 | |
| 618 | K | A | -3.4430 | |
| 619 | C | A | 0.0000 | |
| 620 | I | A | 0.0000 | |
| 621 | L | A | -1.1754 | |
| 622 | L | A | 0.0000 | |
| 623 | R | A | -2.3119 | |
| 624 | V | A | 0.0000 | |
| 625 | K | A | -3.0410 | |
| 626 | G | A | -2.3195 | |
| 627 | G | A | -2.4644 | |
| 628 | K | A | -3.5144 | |
| 629 | Q | A | -2.7414 | |
| 630 | F | A | -1.0248 | |
| 631 | V | A | 0.0000 | |
| 632 | L | A | 0.0000 | |
| 633 | Q | A | 0.0000 | |
| 634 | C | A | 0.0000 | |
| 635 | E | A | -1.4853 | |
| 636 | S | A | 0.0000 | |
| 637 | D | A | -1.6290 | |
| 638 | P | A | 0.0000 | |
| 639 | E | A | 0.0000 | |
| 640 | F | A | 0.0000 | |
| 641 | A | A | -0.7996 | |
| 642 | Q | A | 0.0000 | |
| 643 | W | A | 0.0000 | |
| 644 | L | A | -0.6233 | |
| 645 | K | A | -0.8716 | |
| 646 | E | A | -0.5065 | |
| 647 | L | A | 0.0000 | |
| 648 | T | A | -0.4516 | |
| 649 | C | A | -0.3573 | |
| 650 | T | A | 0.0000 | |
| 651 | F | A | -0.9700 | |
| 652 | N | A | -1.1880 | |
| 653 | E | A | -2.2832 | |
| 654 | A | A | 0.0000 | |
| 655 | Q | A | -1.8479 | |
| 656 | R | A | -2.4036 | |
| 657 | L | A | -1.0464 | |
| 658 | L | A | -1.2117 | |
| 659 | R | A | -2.9093 | |
| 660 | R | A | -2.7639 | |
| 661 | A | A | -1.1272 | |
| 662 | P | A | -0.9928 | |
| 663 | K | A | -1.4609 | |
| 664 | F | A | 1.0419 | |
| 665 | L | A | 0.2940 | |
| 666 | N | A | -1.8318 | |
| 667 | K | A | -2.5601 | |
| 668 | P | A | -2.1270 | |
| 669 | R | A | -2.1505 | |
| 670 | A | A | -0.4676 | |
| 671 | A | A | 0.7526 | |
| 672 | I | A | 2.2306 | |
| 673 | L | A | 2.2008 | |
| 674 | E | A | 0.1289 | |
| 675 | F | A | 1.2104 | |
| 676 | S | A | -0.5291 | |
| 677 | K | A | -1.5121 | |
| 678 | P | A | -0.4378 | |
| 679 | P | A | -0.0647 | |
| 680 | L | A | 0.8837 | |
| 681 | C | A | 0.1517 | |
| 682 | H | A | -1.5383 | |
| 683 | R | A | -2.6070 | |
| 684 | N | A | -2.6063 | |
| 685 | S | A | -1.5187 | |
| 686 | S | A | -0.8218 | |
| 687 | G | A | 0.0558 | |
| 688 | L | A | 1.2213 |
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 | -0.8693 | 4.9455 | View | CSV | PDB |
| 4.5 | -0.9445 | 4.9455 | View | CSV | PDB |
| 5.0 | -1.0348 | 4.9455 | View | CSV | PDB |
| 5.5 | -1.1216 | 4.9455 | View | CSV | PDB |
| 6.0 | -1.1854 | 4.9455 | View | CSV | PDB |
| 6.5 | -1.2131 | 4.9455 | View | CSV | PDB |
| 7.0 | -1.2054 | 4.9455 | View | CSV | PDB |
| 7.5 | -1.1743 | 4.9455 | View | CSV | PDB |
| 8.0 | -1.1303 | 4.9455 | View | CSV | PDB |
| 8.5 | -1.0763 | 4.9455 | View | CSV | PDB |
| 9.0 | -1.0118 | 4.9455 | 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