| Chain sequence(s) | DGVGNASGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISSASTGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTTNDGVTTIANNLTSTVQVFSDSEYQLPYVLGSAHQGCLPPFPADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEEVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQNQSGSAQNKDLLFSRGSPAGMSVQPKNWLPGPCYRQQRVSKTKTDNNNSNFTWTGASKYNLNGRESIINPGTAMASHKDDEDKFFPMSGVMIFGKESAGASNTALDNVMITDEEEIKATNPVATERFGTVAVNFQSSSTDPATGDVHAMGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKNPPPQILIKNTPVPANPPAEFSATKFASFITQYSTGQVSVEIEWELQKENSKRWNPEVQYTSNYAKSANVDFTVDNNGLYTEPRPIGTRYLTRPL 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 (00:02:26)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/842176626edeaa/tmp/folded.pdb (00:02:26)
[INFO] Main: Simulation completed successfully. (00:05:20)
|
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 | |
| 17 | D | A | -2.5030 | |
| 18 | G | A | -1.3222 | |
| 19 | V | A | 0.3210 | |
| 20 | G | A | -0.6709 | |
| 21 | N | A | -1.7373 | |
| 22 | A | A | -1.3104 | |
| 23 | S | A | -1.4129 | |
| 24 | G | A | -1.1736 | |
| 25 | N | A | -1.1254 | |
| 26 | W | A | -0.2998 | |
| 27 | H | A | -1.2377 | |
| 28 | C | A | -1.0266 | |
| 29 | D | A | -1.8125 | |
| 30 | S | A | -0.8265 | |
| 31 | T | A | -0.0921 | |
| 32 | W | A | 0.0920 | |
| 33 | L | A | 0.3155 | |
| 34 | G | A | -1.0614 | |
| 35 | D | A | -2.1894 | |
| 36 | R | A | -1.1823 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.2192 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.4224 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6894 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0846 | |
| 49 | T | A | -0.2133 | |
| 50 | Y | A | -0.1958 | |
| 51 | N | A | -0.6527 | |
| 52 | N | A | -1.0166 | |
| 53 | H | A | -0.2537 | |
| 54 | L | A | 0.2775 | |
| 55 | Y | A | -0.1275 | |
| 56 | K | A | -1.1527 | |
| 57 | Q | A | -0.7994 | |
| 58 | I | A | 0.1716 | |
| 59 | S | A | 0.0097 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.2845 | |
| 62 | S | A | -0.2879 | |
| 63 | T | A | -0.5748 | |
| 64 | G | A | -0.9090 | |
| 65 | A | A | -1.1937 | |
| 66 | S | A | -1.6710 | |
| 67 | N | A | -2.6147 | |
| 68 | D | A | -2.5589 | |
| 69 | N | A | -2.3099 | |
| 70 | H | A | -1.7995 | |
| 71 | Y | A | -0.1468 | |
| 72 | F | A | 0.3700 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | 0.3620 | |
| 75 | S | A | -0.2082 | |
| 76 | T | A | 0.0000 | |
| 77 | P | A | 0.0000 | |
| 78 | W | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | N | A | 0.0000 | |
| 85 | R | A | -0.5845 | |
| 86 | F | A | 0.0000 | |
| 87 | H | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | H | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | S | A | -1.1229 | |
| 92 | P | A | -1.4485 | |
| 93 | R | A | -2.5478 | |
| 94 | D | A | -1.8495 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -2.1148 | |
| 97 | R | A | -2.6177 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | -1.0592 | |
| 101 | N | A | -1.9993 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | -0.8867 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -0.8561 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -2.0651 | |
| 109 | R | A | -2.4450 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -1.2973 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -1.0101 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -1.1288 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -1.0903 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.5404 | |
| 121 | E | A | -0.2400 | |
| 122 | V | A | 0.4240 | |
| 123 | T | A | 0.1856 | |
| 124 | T | A | -0.5012 | |
| 125 | N | A | -1.7894 | |
| 126 | D | A | -2.1033 | |
| 127 | G | A | -0.9352 | |
| 128 | V | A | 0.4980 | |
| 129 | T | A | 0.3989 | |
| 130 | T | A | 0.6495 | |
| 131 | I | A | 0.8984 | |
| 132 | A | A | -0.0710 | |
| 133 | N | A | -1.1144 | |
| 134 | N | A | -0.6060 | |
| 135 | L | A | 0.3708 | |
| 136 | T | A | 0.0340 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.4673 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4410 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.3073 | |
| 146 | E | A | -2.2491 | |
| 147 | Y | A | -1.3263 | |
| 148 | Q | A | -1.3318 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | 0.2382 | |
| 151 | Y | A | 0.0948 | |
| 152 | V | A | 0.3288 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.4139 | |
| 155 | S | A | -0.5209 | |
| 156 | A | A | -0.7077 | |
| 157 | H | A | -1.2732 | |
| 158 | Q | A | -1.5601 | |
| 159 | G | A | -0.6222 | |
| 160 | C | A | -0.4333 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | -0.0107 | |
| 163 | P | A | -0.0953 | |
| 164 | F | A | 0.6142 | |
| 165 | P | A | 0.0552 | |
| 166 | A | A | -0.1408 | |
| 167 | D | A | -0.4755 | |
| 168 | V | A | 1.2604 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.3541 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | -0.2660 | |
| 173 | Q | A | -0.3283 | |
| 174 | Y | A | 0.0000 | |
| 175 | G | A | -0.0238 | |
| 176 | Y | A | 0.0000 | |
| 177 | L | A | 1.9557 | |
| 178 | T | A | 1.1584 | |
| 179 | L | A | 0.0215 | |
| 180 | N | A | -0.8093 | |
| 181 | N | A | -1.9027 | |
| 182 | G | A | -1.7513 | |
| 183 | S | A | -1.2869 | |
| 184 | Q | A | -1.5050 | |
| 185 | A | A | -1.0061 | |
| 186 | V | A | -0.9062 | |
| 187 | G | A | -1.1230 | |
| 188 | R | A | -1.6875 | |
| 189 | S | A | -0.4592 | |
| 190 | S | A | 0.6705 | |
| 191 | F | A | 1.8527 | |
| 192 | Y | A | 1.3094 | |
| 193 | C | A | 0.9680 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.2055 | |
| 196 | Y | A | 1.0176 | |
| 197 | F | A | 0.2472 | |
| 198 | P | A | -0.2385 | |
| 199 | S | A | -0.5140 | |
| 200 | Q | A | -1.1191 | |
| 201 | M | A | -0.2247 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.7879 | |
| 204 | T | A | -1.3796 | |
| 205 | G | A | -1.6744 | |
| 206 | N | A | -1.9871 | |
| 207 | N | A | -1.6508 | |
| 208 | F | A | -0.5597 | |
| 209 | T | A | -0.4343 | |
| 210 | F | A | -0.1255 | |
| 211 | S | A | -0.7391 | |
| 212 | Y | A | -0.7482 | |
| 213 | T | A | -1.4859 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.0940 | |
| 216 | E | A | -2.1260 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.4330 | |
| 219 | F | A | 0.1080 | |
| 220 | H | A | 0.0000 | |
| 221 | S | A | 0.0121 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.2915 | |
| 224 | A | A | -0.6595 | |
| 225 | H | A | -0.7686 | |
| 226 | S | A | -0.8826 | |
| 227 | Q | A | -1.1250 | |
| 228 | S | A | -1.1217 | |
| 229 | L | A | 0.0000 | |
| 230 | D | A | -1.6363 | |
| 231 | R | A | -1.6711 | |
| 232 | L | A | -0.5495 | |
| 233 | M | A | -0.2914 | |
| 234 | N | A | -0.0843 | |
| 235 | P | A | 0.3725 | |
| 236 | L | A | 1.7945 | |
| 237 | I | A | 1.7063 | |
| 238 | D | A | -0.7210 | |
| 239 | Q | A | -0.1190 | |
| 240 | Y | A | 1.1474 | |
| 241 | L | A | 0.9868 | |
| 242 | Y | A | 1.7786 | |
| 243 | Y | A | 1.5090 | |
| 244 | L | A | 1.8211 | |
| 245 | N | A | 0.4447 | |
| 246 | R | A | -0.5507 | |
| 247 | T | A | -1.0946 | |
| 248 | Q | A | -2.7040 | |
| 249 | N | A | -2.4910 | |
| 250 | Q | A | -2.3862 | |
| 251 | S | A | -1.5281 | |
| 252 | G | A | -1.3259 | |
| 253 | S | A | -1.0171 | |
| 254 | A | A | -1.6010 | |
| 255 | Q | A | -2.9051 | |
| 256 | N | A | -3.4415 | |
| 257 | K | A | -3.2466 | |
| 258 | D | A | -1.8361 | |
| 259 | L | A | 1.0823 | |
| 260 | L | A | 1.1459 | |
| 261 | F | A | 2.3002 | |
| 262 | S | A | 0.6629 | |
| 263 | R | A | -0.6210 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.2664 | |
| 266 | P | A | 0.0484 | |
| 267 | A | A | 0.0108 | |
| 268 | G | A | 0.0142 | |
| 269 | M | A | -0.1008 | |
| 270 | S | A | -0.0507 | |
| 271 | V | A | 0.9731 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.2177 | |
| 274 | K | A | -1.1657 | |
| 275 | N | A | -1.2439 | |
| 276 | W | A | 0.2308 | |
| 277 | L | A | 0.5354 | |
| 278 | P | A | 0.4341 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.3097 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | -0.0715 | |
| 283 | R | A | -1.3619 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.5191 | |
| 286 | R | A | -1.8553 | |
| 287 | V | A | -1.5851 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.8182 | |
| 290 | T | A | -1.8473 | |
| 291 | K | A | -2.8146 | |
| 292 | T | A | -2.2644 | |
| 293 | D | A | -2.9359 | |
| 294 | N | A | -2.8689 | |
| 295 | N | A | -2.8260 | |
| 296 | N | A | -2.6945 | |
| 297 | S | A | -1.8116 | |
| 298 | N | A | -1.6302 | |
| 299 | F | A | -0.7299 | |
| 300 | T | A | -0.0750 | |
| 301 | W | A | 0.2923 | |
| 302 | T | A | -0.0809 | |
| 303 | G | A | -0.4927 | |
| 304 | A | A | -0.1670 | |
| 305 | S | A | -0.1049 | |
| 306 | K | A | 0.0113 | |
| 307 | Y | A | 0.4751 | |
| 308 | N | A | -0.9894 | |
| 309 | L | A | -0.0379 | |
| 310 | N | A | -1.5098 | |
| 311 | G | A | -1.5083 | |
| 312 | R | A | -2.0355 | |
| 313 | E | A | -1.5783 | |
| 314 | S | A | -0.4082 | |
| 315 | I | A | 0.2513 | |
| 316 | I | A | 0.2119 | |
| 317 | N | A | -0.7580 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.1120 | |
| 320 | T | A | 0.1323 | |
| 321 | A | A | 0.2394 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -3.2293 | |
| 327 | D | A | -3.9322 | |
| 328 | D | A | -3.8171 | |
| 329 | E | A | -3.4010 | |
| 330 | D | A | -3.7900 | |
| 331 | K | A | -2.4911 | |
| 332 | F | A | -1.9225 | |
| 333 | F | A | -1.0911 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | -0.5086 | |
| 336 | S | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 1.3824 | |
| 341 | F | A | 0.2604 | |
| 342 | G | A | -1.1380 | |
| 343 | K | A | -2.2208 | |
| 344 | E | A | -2.3943 | |
| 345 | S | A | -1.7386 | |
| 346 | A | A | -1.6562 | |
| 347 | G | A | -1.2565 | |
| 348 | A | A | -0.6184 | |
| 349 | S | A | -0.9421 | |
| 350 | N | A | -1.3968 | |
| 351 | T | A | -1.0990 | |
| 352 | A | A | -0.7345 | |
| 353 | L | A | -0.8300 | |
| 354 | D | A | -1.7627 | |
| 355 | N | A | -1.6575 | |
| 356 | V | A | -0.6057 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.4502 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.3349 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.5065 | |
| 363 | E | A | -1.8379 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -1.7825 | |
| 366 | A | A | -1.1527 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.5703 | |
| 370 | V | A | -0.8196 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | E | A | -2.2055 | |
| 374 | R | A | -2.3609 | |
| 375 | F | A | -0.9113 | |
| 376 | G | A | -0.8352 | |
| 377 | T | A | -0.2251 | |
| 378 | V | A | 1.0755 | |
| 379 | A | A | 1.1251 | |
| 380 | V | A | 1.7559 | |
| 381 | N | A | 0.6065 | |
| 382 | F | A | 1.0181 | |
| 383 | Q | A | -1.0940 | |
| 384 | S | A | -1.0494 | |
| 385 | S | A | -1.1713 | |
| 386 | S | A | -1.0428 | |
| 387 | T | A | -1.3347 | |
| 388 | D | A | -2.2405 | |
| 389 | P | A | -1.0719 | |
| 390 | A | A | -0.0273 | |
| 391 | T | A | 0.3446 | |
| 392 | G | A | -0.1638 | |
| 393 | D | A | -1.5883 | |
| 394 | V | A | -1.0937 | |
| 395 | H | A | -1.5867 | |
| 396 | A | A | -0.5429 | |
| 397 | M | A | -0.1228 | |
| 398 | G | A | -0.0890 | |
| 399 | A | A | 0.4104 | |
| 400 | L | A | 0.6103 | |
| 401 | P | A | 0.2009 | |
| 402 | G | A | 0.0836 | |
| 403 | M | A | 0.6108 | |
| 404 | V | A | 0.9354 | |
| 405 | W | A | 0.3288 | |
| 406 | Q | A | -0.3959 | |
| 407 | D | A | -0.4031 | |
| 408 | R | A | 0.0000 | |
| 409 | D | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | Y | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | Q | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | P | A | 0.0000 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.4306 | |
| 419 | K | A | -1.1509 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -1.5241 | |
| 422 | H | A | -2.0241 | |
| 423 | T | A | -1.8377 | |
| 424 | D | A | -2.4811 | |
| 425 | G | A | -1.6586 | |
| 426 | H | A | -1.0036 | |
| 427 | F | A | 1.0291 | |
| 428 | H | A | -0.1044 | |
| 429 | P | A | -0.2658 | |
| 430 | S | A | 0.0009 | |
| 431 | P | A | 0.3339 | |
| 432 | L | A | 1.0616 | |
| 433 | M | A | 0.4718 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | 0.0291 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.7398 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.4277 | |
| 440 | N | A | -2.1433 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | P | A | 0.0000 | |
| 444 | Q | A | 0.0000 | |
| 445 | I | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | K | A | 0.0000 | |
| 449 | N | A | 0.0000 | |
| 450 | T | A | 0.1697 | |
| 451 | P | A | 0.0171 | |
| 452 | V | A | 0.3943 | |
| 453 | P | A | 0.1024 | |
| 454 | A | A | -0.3018 | |
| 455 | N | A | -1.3291 | |
| 456 | P | A | -0.8672 | |
| 457 | P | A | -0.8232 | |
| 458 | A | A | -0.7370 | |
| 459 | E | A | -1.0065 | |
| 460 | F | A | 0.9071 | |
| 461 | S | A | 0.0974 | |
| 462 | A | A | 0.0713 | |
| 463 | T | A | -0.4587 | |
| 464 | K | A | -1.3633 | |
| 465 | F | A | -0.0886 | |
| 466 | A | A | -0.1216 | |
| 467 | S | A | -0.2684 | |
| 468 | F | A | 0.2636 | |
| 469 | I | A | 0.5809 | |
| 470 | T | A | 0.1292 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3064 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0101 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3684 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.6988 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.3178 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.1679 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.3357 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.8817 | |
| 487 | K | A | -2.4197 | |
| 488 | E | A | -2.3954 | |
| 489 | N | A | -2.5796 | |
| 490 | S | A | -2.0870 | |
| 491 | K | A | -2.3544 | |
| 492 | R | A | -1.6232 | |
| 493 | W | A | -0.0670 | |
| 494 | N | A | -0.5529 | |
| 495 | P | A | -0.2979 | |
| 496 | E | A | 0.1337 | |
| 497 | V | A | 1.2870 | |
| 498 | Q | A | -0.0441 | |
| 499 | Y | A | -0.2605 | |
| 500 | T | A | -0.4295 | |
| 501 | S | A | -0.6747 | |
| 502 | N | A | -0.8842 | |
| 503 | Y | A | 0.2881 | |
| 504 | A | A | -0.4009 | |
| 505 | K | A | -1.6153 | |
| 506 | S | A | -1.0865 | |
| 507 | A | A | -0.7938 | |
| 508 | N | A | -1.0052 | |
| 509 | V | A | 0.4540 | |
| 510 | D | A | -0.4684 | |
| 511 | F | A | -0.1037 | |
| 512 | T | A | 0.5705 | |
| 513 | V | A | 0.3681 | |
| 514 | D | A | -1.1607 | |
| 515 | N | A | -2.1222 | |
| 516 | N | A | -1.8899 | |
| 517 | G | A | -0.9649 | |
| 518 | L | A | -0.2743 | |
| 519 | Y | A | -0.0677 | |
| 520 | T | A | -0.3158 | |
| 521 | E | A | -0.9089 | |
| 522 | P | A | -0.7714 | |
| 523 | R | A | -0.8315 | |
| 524 | P | A | -0.3520 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2425 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.3353 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.4541 | |
| 532 | R | A | -1.3423 | |
| 533 | P | A | -0.6686 | |
| 534 | L | A | 0.1965 |
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 | -0.1242 | 4.3803 | View | CSV | PDB |
| 4.5 | -0.1716 | 4.2628 | View | CSV | PDB |
| 5.0 | -0.227 | 4.2262 | View | CSV | PDB |
| 5.5 | -0.2828 | 4.2015 | View | CSV | PDB |
| 6.0 | -0.3312 | 4.1762 | View | CSV | PDB |
| 6.5 | -0.3664 | 4.1509 | View | CSV | PDB |
| 7.0 | -0.388 | 4.1255 | View | CSV | PDB |
| 7.5 | -0.4004 | 4.1004 | View | CSV | PDB |
| 8.0 | -0.4065 | 4.0761 | View | CSV | PDB |
| 8.5 | -0.4057 | 4.0539 | View | CSV | PDB |
| 9.0 | -0.3954 | 4.0363 | 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