| Chain sequence(s) | MSDNGELEDKPPAPPVRMSSTIFSTGGKDPLSANHSLKPLPSVPEEKKPRNKIISIFSGTEKGSKKKEKERPEISPPSDFEHTIHVGFDAVTGEFTGMPEQWARLLQTSNITKLEQKKNPQAVLDVLKFYDSNTVKQKYLSFTPPEKDGFPSGTPALNTKGSETSAVVTEEDDDDEDAAPPVIAPRPDHTKSIYTRSVIDPIPAPVGDSNVDSGAKSSDKQKKKAKMTDEEIMEKLRTIVSIGDPKKKYTRYEKIGQGASGTVFTATDVALGQEVAIKQINLQKQPKKELIINEILVMKELKNPNIVNFLDSYLVGDELFVVMEYLAGGSLTDVVTETCMDEAQIAAVCRECLQALEFLHANQVIHRDIKSDNVLLGMEGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMVEGEPPYLNENPLRALYLIATNGTPELQNPEKLSPIFRDFLNRCLEMDVEKRGSAKELLQHPFLKLAKPLSSLTPLILAAKEAMKSNR 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/72cc7fa984d884/tmp/folded.pdb (00:16:31)
[INFO] Main: Simulation completed successfully. (00:25:53)
|
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 | 0.5620 | |
| 2 | S | A | -1.0005 | |
| 3 | D | A | -2.3831 | |
| 4 | N | A | -2.6476 | |
| 5 | G | A | -2.3243 | |
| 6 | E | A | -2.2874 | |
| 7 | L | A | -1.1026 | |
| 8 | E | A | -2.8744 | |
| 9 | D | A | -3.3859 | |
| 10 | K | A | -2.9723 | |
| 11 | P | A | -1.8203 | |
| 12 | P | A | -1.0720 | |
| 13 | A | A | -0.2808 | |
| 14 | P | A | -0.2411 | |
| 15 | P | A | 0.1132 | |
| 16 | V | A | 0.9617 | |
| 17 | R | A | -0.6503 | |
| 18 | M | A | 0.4349 | |
| 19 | S | A | 0.1274 | |
| 20 | S | A | 0.1117 | |
| 21 | T | A | 1.2382 | |
| 22 | I | A | 2.7768 | |
| 23 | F | A | 2.7478 | |
| 24 | S | A | 1.1475 | |
| 25 | T | A | -0.1293 | |
| 26 | G | A | -1.1033 | |
| 27 | G | A | -1.9535 | |
| 28 | K | A | -3.0520 | |
| 29 | D | A | -2.6462 | |
| 30 | P | A | -0.7496 | |
| 31 | L | A | 1.0070 | |
| 32 | S | A | 0.2394 | |
| 33 | A | A | -0.6239 | |
| 34 | N | A | -1.6517 | |
| 35 | H | A | -1.5665 | |
| 36 | S | A | -0.7320 | |
| 37 | L | A | 0.3847 | |
| 38 | K | A | -0.9078 | |
| 39 | P | A | -0.0321 | |
| 40 | L | A | 1.2275 | |
| 41 | P | A | 0.4818 | |
| 42 | S | A | 0.5448 | |
| 43 | V | A | 1.0078 | |
| 44 | P | A | -1.0439 | |
| 45 | E | A | -3.0358 | |
| 46 | E | A | -3.8234 | |
| 47 | K | A | -4.1504 | |
| 48 | K | A | -3.6838 | |
| 49 | P | A | -3.0643 | |
| 50 | R | A | -3.5015 | |
| 51 | N | A | -2.5778 | |
| 52 | K | A | -1.3234 | |
| 53 | I | A | 1.8343 | |
| 54 | I | A | 2.9754 | |
| 55 | S | A | 2.6871 | |
| 56 | I | A | 3.2183 | |
| 57 | F | A | 2.6722 | |
| 58 | S | A | 0.9082 | |
| 59 | G | A | -0.5726 | |
| 60 | T | A | -1.6316 | |
| 61 | E | A | -2.8689 | |
| 62 | K | A | -3.0390 | |
| 63 | G | A | -2.3752 | |
| 64 | S | A | -2.2992 | |
| 65 | K | A | -3.6186 | |
| 66 | K | A | -4.1679 | |
| 67 | K | A | -4.6144 | |
| 68 | E | A | -4.8773 | |
| 69 | K | A | -4.6965 | |
| 70 | E | A | -4.5919 | |
| 71 | R | A | -3.7615 | |
| 72 | P | A | -2.2376 | |
| 73 | E | A | -1.7988 | |
| 74 | I | A | 0.6302 | |
| 75 | S | A | 0.0378 | |
| 76 | P | A | -0.4628 | |
| 77 | P | A | -0.2204 | |
| 78 | S | A | -0.9632 | |
| 79 | D | A | -1.6483 | |
| 80 | F | A | -0.1991 | |
| 81 | E | A | -1.7025 | |
| 82 | H | A | -1.4052 | |
| 83 | T | A | -0.4583 | |
| 84 | I | A | 0.3342 | |
| 85 | H | A | -0.5021 | |
| 86 | V | A | 0.0159 | |
| 87 | G | A | -0.3942 | |
| 88 | F | A | -0.5341 | |
| 89 | D | A | -0.5428 | |
| 90 | A | A | -0.0887 | |
| 91 | V | A | 1.1839 | |
| 92 | T | A | -0.0127 | |
| 93 | G | A | 0.0000 | |
| 94 | E | A | -1.8499 | |
| 95 | F | A | -0.8641 | |
| 96 | T | A | -0.5502 | |
| 97 | G | A | -0.6187 | |
| 98 | M | A | -0.8157 | |
| 99 | P | A | -1.3184 | |
| 100 | E | A | -2.8107 | |
| 101 | Q | A | -2.5396 | |
| 102 | W | A | 0.0000 | |
| 103 | A | A | -2.0820 | |
| 104 | R | A | -3.0070 | |
| 105 | L | A | -1.8204 | |
| 106 | L | A | 0.0000 | |
| 107 | Q | A | -2.3167 | |
| 108 | T | A | -1.5001 | |
| 109 | S | A | 0.0000 | |
| 110 | N | A | -1.9910 | |
| 111 | I | A | 0.0000 | |
| 112 | T | A | -1.3931 | |
| 113 | K | A | -2.2988 | |
| 114 | L | A | -0.5208 | |
| 115 | E | A | -1.5292 | |
| 116 | Q | A | -2.1660 | |
| 117 | K | A | -2.8617 | |
| 118 | K | A | -2.8233 | |
| 119 | N | A | -2.0369 | |
| 120 | P | A | -1.9889 | |
| 121 | Q | A | -1.7152 | |
| 122 | A | A | -1.1267 | |
| 123 | V | A | 0.0000 | |
| 124 | L | A | -0.4909 | |
| 125 | D | A | -0.7740 | |
| 126 | V | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | K | A | -0.8688 | |
| 129 | F | A | 0.0000 | |
| 130 | Y | A | -0.1011 | |
| 131 | D | A | -0.5827 | |
| 132 | S | A | -0.4407 | |
| 133 | N | A | -0.6285 | |
| 134 | T | A | -0.2526 | |
| 135 | V | A | 0.4531 | |
| 136 | K | A | -1.5287 | |
| 137 | Q | A | -1.6095 | |
| 138 | K | A | -1.5767 | |
| 139 | Y | A | -0.1819 | |
| 140 | L | A | 0.7463 | |
| 141 | S | A | 0.6799 | |
| 142 | F | A | 1.7484 | |
| 143 | T | A | 0.6899 | |
| 144 | P | A | -0.3879 | |
| 145 | P | A | -1.8626 | |
| 146 | E | A | -3.3472 | |
| 147 | K | A | -3.4329 | |
| 148 | D | A | -2.9366 | |
| 149 | G | A | -1.1771 | |
| 150 | F | A | 0.9401 | |
| 151 | P | A | 0.3658 | |
| 152 | S | A | -0.2648 | |
| 153 | G | A | -0.7141 | |
| 154 | T | A | -0.4713 | |
| 155 | P | A | -0.0822 | |
| 156 | A | A | 0.4227 | |
| 157 | L | A | 0.8497 | |
| 158 | N | A | -0.8350 | |
| 159 | T | A | -1.3687 | |
| 160 | K | A | -2.2646 | |
| 161 | G | A | -1.8157 | |
| 162 | S | A | -1.7331 | |
| 163 | E | A | -2.1087 | |
| 164 | T | A | -1.1152 | |
| 165 | S | A | -0.2174 | |
| 166 | A | A | 1.1676 | |
| 167 | V | A | 2.4150 | |
| 168 | V | A | 2.2270 | |
| 169 | T | A | -0.1614 | |
| 170 | E | A | -2.5853 | |
| 171 | E | A | -3.9762 | |
| 172 | D | A | -4.6114 | |
| 173 | D | A | -4.6067 | |
| 174 | D | A | -4.6702 | |
| 175 | D | A | -4.7222 | |
| 176 | E | A | -4.1849 | |
| 177 | D | A | -3.4173 | |
| 178 | A | A | -1.6561 | |
| 179 | A | A | -0.5655 | |
| 180 | P | A | -0.0835 | |
| 181 | P | A | 0.6362 | |
| 182 | V | A | 1.8128 | |
| 183 | I | A | 1.2582 | |
| 184 | A | A | 0.6368 | |
| 185 | P | A | -0.2102 | |
| 186 | R | A | -1.0456 | |
| 187 | P | A | -1.5811 | |
| 188 | D | A | -2.6685 | |
| 189 | H | A | -2.0415 | |
| 190 | T | A | -1.4131 | |
| 191 | K | A | -1.5671 | |
| 192 | S | A | 0.0000 | |
| 193 | I | A | 0.9067 | |
| 194 | Y | A | 0.8332 | |
| 195 | T | A | -0.2525 | |
| 196 | R | A | -0.7985 | |
| 197 | S | A | 0.4628 | |
| 198 | V | A | 2.0316 | |
| 199 | I | A | 1.8425 | |
| 200 | D | A | -0.0376 | |
| 201 | P | A | 0.5038 | |
| 202 | I | A | 1.5312 | |
| 203 | P | A | 0.6244 | |
| 204 | A | A | 0.6504 | |
| 205 | P | A | 0.4967 | |
| 206 | V | A | 1.0056 | |
| 207 | G | A | -0.5817 | |
| 208 | D | A | -2.0112 | |
| 209 | S | A | -1.4606 | |
| 210 | N | A | -1.2907 | |
| 211 | V | A | 0.1720 | |
| 212 | D | A | -1.4292 | |
| 213 | S | A | -0.9372 | |
| 214 | G | A | -1.2500 | |
| 215 | A | A | -1.1006 | |
| 216 | K | A | -1.9242 | |
| 217 | S | A | -1.5699 | |
| 218 | S | A | -2.1312 | |
| 219 | D | A | -3.2612 | |
| 220 | K | A | -3.9036 | |
| 221 | Q | A | -3.9839 | |
| 222 | K | A | -4.1956 | |
| 223 | K | A | -4.1814 | |
| 224 | K | A | -3.4889 | |
| 225 | A | A | -2.4967 | |
| 226 | K | A | -2.7812 | |
| 227 | M | A | -2.1970 | |
| 228 | T | A | -2.4610 | |
| 229 | D | A | -3.8333 | |
| 230 | E | A | -3.7538 | |
| 231 | E | A | -3.7807 | |
| 232 | I | A | 0.0000 | |
| 233 | M | A | -2.9159 | |
| 234 | E | A | -3.2962 | |
| 235 | K | A | -2.7211 | |
| 236 | L | A | 0.0000 | |
| 237 | R | A | -1.7207 | |
| 238 | T | A | -0.8975 | |
| 239 | I | A | -0.2764 | |
| 240 | V | A | 0.1741 | |
| 241 | S | A | 0.6130 | |
| 242 | I | A | 1.6346 | |
| 243 | G | A | -0.0928 | |
| 244 | D | A | -1.2139 | |
| 245 | P | A | 0.0000 | |
| 246 | K | A | -2.9565 | |
| 247 | K | A | -2.7366 | |
| 248 | K | A | -1.4287 | |
| 249 | Y | A | 0.0000 | |
| 250 | T | A | -1.6019 | |
| 251 | R | A | -2.3523 | |
| 252 | Y | A | -1.5028 | |
| 253 | E | A | -2.3646 | |
| 254 | K | A | -2.0430 | |
| 255 | I | A | -0.0901 | |
| 256 | G | A | -0.7829 | |
| 257 | Q | A | -1.4982 | |
| 258 | G | A | -0.8469 | |
| 259 | A | A | -0.5536 | |
| 260 | S | A | -0.9658 | |
| 261 | G | A | -0.9563 | |
| 262 | T | A | -0.7528 | |
| 263 | V | A | -0.4006 | |
| 264 | F | A | -0.7408 | |
| 265 | T | A | -1.0467 | |
| 266 | A | A | 0.0000 | |
| 267 | T | A | -0.9343 | |
| 268 | D | A | 0.0000 | |
| 269 | V | A | 1.1375 | |
| 270 | A | A | 1.3233 | |
| 271 | L | A | 1.3591 | |
| 272 | G | A | 0.1427 | |
| 273 | Q | A | -0.7837 | |
| 274 | E | A | -1.9210 | |
| 275 | V | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | K | A | 0.0000 | |
| 279 | Q | A | -0.4229 | |
| 280 | I | A | 0.0000 | |
| 281 | N | A | -1.8009 | |
| 282 | L | A | 0.0000 | |
| 283 | Q | A | -2.8367 | |
| 284 | K | A | -3.0041 | |
| 285 | Q | A | -2.0658 | |
| 286 | P | A | -2.0043 | |
| 287 | K | A | -2.0909 | |
| 288 | K | A | -1.5902 | |
| 289 | E | A | -1.3496 | |
| 290 | L | A | -0.2761 | |
| 291 | I | A | 0.0000 | |
| 292 | I | A | 0.0000 | |
| 293 | N | A | -0.4457 | |
| 294 | E | A | 0.0000 | |
| 295 | I | A | 0.0000 | |
| 296 | L | A | -0.4967 | |
| 297 | V | A | 0.0000 | |
| 298 | M | A | 0.0000 | |
| 299 | K | A | -2.0602 | |
| 300 | E | A | -2.5715 | |
| 301 | L | A | -1.9838 | |
| 302 | K | A | -2.6036 | |
| 303 | N | A | -1.5118 | |
| 304 | P | A | -0.9499 | |
| 305 | N | A | 0.0000 | |
| 306 | I | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | N | A | -1.1847 | |
| 309 | F | A | 0.0000 | |
| 310 | L | A | 0.1280 | |
| 311 | D | A | -0.1961 | |
| 312 | S | A | 0.0000 | |
| 313 | Y | A | 0.0000 | |
| 314 | L | A | -0.0861 | |
| 315 | V | A | -0.3519 | |
| 316 | G | A | -0.8208 | |
| 317 | D | A | -1.7957 | |
| 318 | E | A | -1.4129 | |
| 319 | L | A | 0.0000 | |
| 320 | F | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | M | A | 0.0000 | |
| 324 | E | A | -0.5454 | |
| 325 | Y | A | -0.2579 | |
| 326 | L | A | 0.0000 | |
| 327 | A | A | -0.2952 | |
| 328 | G | A | 0.0000 | |
| 329 | G | A | -0.2670 | |
| 330 | S | A | -0.7295 | |
| 331 | L | A | 0.0000 | |
| 332 | T | A | -0.9476 | |
| 333 | D | A | -0.9318 | |
| 334 | V | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | T | A | 0.0000 | |
| 337 | E | A | -0.7853 | |
| 338 | T | A | 0.0000 | |
| 339 | C | A | 0.0845 | |
| 340 | M | A | -0.2033 | |
| 341 | D | A | -0.9848 | |
| 342 | E | A | -0.5141 | |
| 343 | A | A | -0.6096 | |
| 344 | Q | A | 0.0000 | |
| 345 | I | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | C | A | 0.0000 | |
| 350 | R | A | -0.8039 | |
| 351 | E | A | 0.0000 | |
| 352 | C | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | Q | A | -0.9390 | |
| 355 | A | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | E | A | -1.3886 | |
| 358 | F | A | -0.8034 | |
| 359 | L | A | 0.0000 | |
| 360 | H | A | -1.0033 | |
| 361 | A | A | -0.8635 | |
| 362 | N | A | -1.2243 | |
| 363 | Q | A | -1.2189 | |
| 364 | V | A | 0.0000 | |
| 365 | I | A | 0.0000 | |
| 366 | H | A | 0.0000 | |
| 367 | R | A | -0.3323 | |
| 368 | D | A | -0.6077 | |
| 369 | I | A | 0.0000 | |
| 370 | K | A | -0.8080 | |
| 371 | S | A | 0.0000 | |
| 372 | D | A | -2.0448 | |
| 373 | N | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | L | A | -0.2917 | |
| 376 | L | A | 0.0000 | |
| 377 | G | A | 0.0000 | |
| 378 | M | A | -0.3567 | |
| 379 | E | A | -1.6973 | |
| 380 | G | A | 0.0000 | |
| 381 | S | A | -0.5265 | |
| 382 | V | A | 0.0000 | |
| 383 | K | A | -0.3554 | |
| 384 | L | A | 0.0000 | |
| 385 | T | A | 0.0000 | |
| 386 | D | A | -1.1744 | |
| 387 | F | A | 0.0000 | |
| 388 | G | A | -0.3108 | |
| 389 | F | A | -0.0522 | |
| 390 | C | A | 0.0000 | |
| 391 | A | A | 0.0000 | |
| 392 | Q | A | -1.2006 | |
| 393 | I | A | 0.0000 | |
| 394 | T | A | -1.8015 | |
| 395 | P | A | -1.8367 | |
| 396 | E | A | -2.7689 | |
| 397 | Q | A | -2.8452 | |
| 398 | S | A | -2.2803 | |
| 399 | K | A | -2.7825 | |
| 400 | R | A | -2.0005 | |
| 401 | S | A | -1.4262 | |
| 402 | T | A | -0.7710 | |
| 403 | M | A | 0.0000 | |
| 404 | V | A | 0.1655 | |
| 405 | G | A | 0.1115 | |
| 406 | T | A | 0.1743 | |
| 407 | P | A | 0.0000 | |
| 408 | Y | A | 0.1141 | |
| 409 | W | A | 0.0560 | |
| 410 | M | A | 0.0000 | |
| 411 | A | A | 0.0000 | |
| 412 | P | A | 0.0000 | |
| 413 | E | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | T | A | -1.1733 | |
| 417 | R | A | -1.8276 | |
| 418 | K | A | -2.3741 | |
| 419 | A | A | -1.7116 | |
| 420 | Y | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | P | A | -0.7154 | |
| 423 | K | A | -0.5085 | |
| 424 | V | A | 0.0000 | |
| 425 | D | A | 0.0000 | |
| 426 | I | A | 0.0000 | |
| 427 | W | A | 0.0000 | |
| 428 | S | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | I | A | 0.0000 | |
| 432 | M | A | 0.0000 | |
| 433 | A | A | 0.0000 | |
| 434 | I | A | 0.0000 | |
| 435 | E | A | 0.0000 | |
| 436 | M | A | 0.0000 | |
| 437 | V | A | -0.4630 | |
| 438 | E | A | -0.6909 | |
| 439 | G | A | 0.0000 | |
| 440 | E | A | -0.2728 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | -0.5371 | |
| 443 | Y | A | -0.3604 | |
| 444 | L | A | -0.3769 | |
| 445 | N | A | -1.2405 | |
| 446 | E | A | -1.4831 | |
| 447 | N | A | -1.1605 | |
| 448 | P | A | -0.3421 | |
| 449 | L | A | 0.0000 | |
| 450 | R | A | -0.8479 | |
| 451 | A | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | L | A | -0.3229 | |
| 455 | I | A | 0.0000 | |
| 456 | A | A | -0.5201 | |
| 457 | T | A | -0.8886 | |
| 458 | N | A | -1.4199 | |
| 459 | G | A | 0.0000 | |
| 460 | T | A | -0.9290 | |
| 461 | P | A | -1.3741 | |
| 462 | E | A | -2.3817 | |
| 463 | L | A | -2.1718 | |
| 464 | Q | A | -2.6234 | |
| 465 | N | A | -3.1596 | |
| 466 | P | A | -2.7902 | |
| 467 | E | A | -3.3369 | |
| 468 | K | A | -3.1707 | |
| 469 | L | A | 0.0000 | |
| 470 | S | A | -0.9928 | |
| 471 | P | A | -0.8603 | |
| 472 | I | A | 0.0028 | |
| 473 | F | A | 0.0000 | |
| 474 | R | A | -1.8140 | |
| 475 | D | A | -1.8749 | |
| 476 | F | A | 0.0000 | |
| 477 | L | A | 0.0000 | |
| 478 | N | A | -2.2216 | |
| 479 | R | A | -2.6299 | |
| 480 | C | A | 0.0000 | |
| 481 | L | A | 0.0000 | |
| 482 | E | A | -1.8121 | |
| 483 | M | A | -1.3196 | |
| 484 | D | A | -2.6465 | |
| 485 | V | A | -1.8422 | |
| 486 | E | A | -3.0033 | |
| 487 | K | A | -3.1779 | |
| 488 | R | A | 0.0000 | |
| 489 | G | A | 0.0000 | |
| 490 | S | A | -1.8149 | |
| 491 | A | A | 0.0000 | |
| 492 | K | A | -2.8149 | |
| 493 | E | A | -2.8684 | |
| 494 | L | A | 0.0000 | |
| 495 | L | A | -1.7889 | |
| 496 | Q | A | -2.2184 | |
| 497 | H | A | 0.0000 | |
| 498 | P | A | -0.7077 | |
| 499 | F | A | 0.0000 | |
| 500 | L | A | 0.0000 | |
| 501 | K | A | -1.5982 | |
| 502 | L | A | -0.1141 | |
| 503 | A | A | -0.7307 | |
| 504 | K | A | -1.0160 | |
| 505 | P | A | -0.4770 | |
| 506 | L | A | -0.5108 | |
| 507 | S | A | -0.8517 | |
| 508 | S | A | -0.5851 | |
| 509 | L | A | 0.0000 | |
| 510 | T | A | -0.1316 | |
| 511 | P | A | 0.3651 | |
| 512 | L | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | L | A | 0.7933 | |
| 515 | A | A | -0.3465 | |
| 516 | A | A | 0.0000 | |
| 517 | K | A | -1.6255 | |
| 518 | E | A | -2.5334 | |
| 519 | A | A | -2.0683 | |
| 520 | M | A | -2.3876 | |
| 521 | K | A | -3.5303 | |
| 522 | S | A | -2.7062 | |
| 523 | N | A | -3.1827 | |
| 524 | R | A | -3.0290 |
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 | -0.6121 | 5.3477 | View | CSV | PDB |
| 4.5 | -0.6928 | 5.2772 | View | CSV | PDB |
| 5.0 | -0.7917 | 5.1853 | View | CSV | PDB |
| 5.5 | -0.8858 | 5.0835 | View | CSV | PDB |
| 6.0 | -0.951 | 5.0448 | View | CSV | PDB |
| 6.5 | -0.9714 | 5.0448 | View | CSV | PDB |
| 7.0 | -0.9492 | 5.0448 | View | CSV | PDB |
| 7.5 | -0.8995 | 5.0448 | View | CSV | PDB |
| 8.0 | -0.8357 | 5.0448 | View | CSV | PDB |
| 8.5 | -0.7629 | 5.0448 | View | CSV | PDB |
| 9.0 | -0.6812 | 5.0448 | 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