| Chain sequence(s) | MGCIKSKENKSPAIKYTPENPTEPVNTSAGHYGVEHATAATTSSTKGASANFNSLSMTPFGGSSGVTPFGGASSSFSVVPSSYPTSLTGGVTIFVALYDYEARTTEDLSFKKGERFQIINNTEGDWWEARSIATGKNGYIPSNYVAPADSIQAEEWYFGKMGRKDAERLLLNPGNQRGIFLVRESETTKGAYSLSIRDWDEVRGDNVKHYKIRKLDNGGYYITTRAQFDTLQKLVKHYTEHADGLCHKLTTVCPTVKPQTQGLAKDAWEIPRESLRLEVKLGQGCFGEVWMGTWNGTTKVAIKTLKPGTMMPEAFLQEAQIMKKLRHDKLVPLYAVVSEEPIYIVTEFMSKGILLDFLKEGDGKYLKLPQLVDMAAQIADGMAYIERMNYIHRDLRAANILVGENLVCKIADFGLARLIEDNEYTARQGAKFPIKWTAPEAALYGRFTIKSDVWSFGILQTELVTKGRVPYPGMVNREVLEQVERGYRMPCPQGCPESLHELMNLCWKKDPDERPTFEYIQSFLEDYFTATEPQYQPGENL 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 (00:12:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/72205cd063bd0e/tmp/folded.pdb (00:12:00)
[INFO] Main: Simulation completed successfully. (00:20:21)
|
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 | -0.1377 | |
| 2 | G | A | -0.0280 | |
| 3 | C | A | 0.5189 | |
| 4 | I | A | 0.8802 | |
| 5 | K | A | -1.7047 | |
| 6 | S | A | -1.8786 | |
| 7 | K | A | -3.4382 | |
| 8 | E | A | -3.9577 | |
| 9 | N | A | -3.4596 | |
| 10 | K | A | -3.1395 | |
| 11 | S | A | -1.3877 | |
| 12 | P | A | -0.5926 | |
| 13 | A | A | 0.3541 | |
| 14 | I | A | 1.4601 | |
| 15 | K | A | -0.1440 | |
| 16 | Y | A | 0.7142 | |
| 17 | T | A | -0.3131 | |
| 18 | P | A | -1.3178 | |
| 19 | E | A | -2.4897 | |
| 20 | N | A | -2.3496 | |
| 21 | P | A | -1.8441 | |
| 22 | T | A | -1.7310 | |
| 23 | E | A | -1.6749 | |
| 24 | P | A | -0.5893 | |
| 25 | V | A | 0.6431 | |
| 26 | N | A | -0.5426 | |
| 27 | T | A | -0.4571 | |
| 28 | S | A | -0.5715 | |
| 29 | A | A | -0.4996 | |
| 30 | G | A | -0.7669 | |
| 31 | H | A | -0.7182 | |
| 32 | Y | A | 0.9075 | |
| 33 | G | A | 0.4595 | |
| 34 | V | A | 0.7724 | |
| 35 | E | A | -1.6096 | |
| 36 | H | A | -1.6258 | |
| 37 | A | A | -0.8547 | |
| 38 | T | A | -0.2058 | |
| 39 | A | A | 0.0521 | |
| 40 | A | A | 0.0242 | |
| 41 | T | A | -0.1049 | |
| 42 | T | A | -0.2623 | |
| 43 | S | A | -0.3839 | |
| 44 | S | A | -0.7261 | |
| 45 | T | A | -1.1233 | |
| 46 | K | A | -1.9911 | |
| 47 | G | A | -1.3149 | |
| 48 | A | A | -0.6335 | |
| 49 | S | A | -0.3426 | |
| 50 | A | A | -0.2326 | |
| 51 | N | A | -0.6765 | |
| 52 | F | A | 0.6429 | |
| 53 | N | A | -0.4102 | |
| 54 | S | A | 0.2404 | |
| 55 | L | A | 1.2811 | |
| 56 | S | A | 0.8214 | |
| 57 | M | A | 1.2078 | |
| 58 | T | A | 0.6487 | |
| 59 | P | A | 0.7282 | |
| 60 | F | A | 1.4441 | |
| 61 | G | A | 0.3109 | |
| 62 | G | A | -0.5045 | |
| 63 | S | A | -0.6273 | |
| 64 | S | A | -0.3244 | |
| 65 | G | A | 0.1228 | |
| 66 | V | A | 1.3964 | |
| 67 | T | A | 0.9614 | |
| 68 | P | A | 0.9799 | |
| 69 | F | A | 1.4283 | |
| 70 | G | A | 0.2919 | |
| 71 | G | A | -0.3206 | |
| 72 | A | A | -0.4607 | |
| 73 | S | A | -0.2133 | |
| 74 | S | A | 0.0766 | |
| 75 | S | A | 0.7194 | |
| 76 | F | A | 2.3429 | |
| 77 | S | A | 1.9233 | |
| 78 | V | A | 2.9406 | |
| 79 | V | A | 2.6026 | |
| 80 | P | A | 1.0583 | |
| 81 | S | A | 0.5353 | |
| 82 | S | A | 0.3854 | |
| 83 | Y | A | 0.9659 | |
| 84 | P | A | 0.4187 | |
| 85 | T | A | 0.3278 | |
| 86 | S | A | 0.5048 | |
| 87 | L | A | 1.1821 | |
| 88 | T | A | 0.5253 | |
| 89 | G | A | 0.1078 | |
| 90 | G | A | 0.4346 | |
| 91 | V | A | 1.6824 | |
| 92 | T | A | 0.6305 | |
| 93 | I | A | 0.5336 | |
| 94 | F | A | -0.1287 | |
| 95 | V | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | L | A | -1.6522 | |
| 98 | Y | A | -1.7417 | |
| 99 | D | A | -2.9550 | |
| 100 | Y | A | 0.0000 | |
| 101 | E | A | -2.3876 | |
| 102 | A | A | -1.2982 | |
| 103 | R | A | -1.2388 | |
| 104 | T | A | -1.1790 | |
| 105 | T | A | -0.9464 | |
| 106 | E | A | -2.1410 | |
| 107 | D | A | 0.0000 | |
| 108 | L | A | -1.4353 | |
| 109 | S | A | -1.5590 | |
| 110 | F | A | 0.0000 | |
| 111 | K | A | -3.4748 | |
| 112 | K | A | -3.1125 | |
| 113 | G | A | -1.9660 | |
| 114 | E | A | -1.8016 | |
| 115 | R | A | -1.5133 | |
| 116 | F | A | 0.0000 | |
| 117 | Q | A | -0.0856 | |
| 118 | I | A | 0.0949 | |
| 119 | I | A | 0.7761 | |
| 120 | N | A | -1.0440 | |
| 121 | N | A | -1.9387 | |
| 122 | T | A | -1.7263 | |
| 123 | E | A | -2.5750 | |
| 124 | G | A | -2.0277 | |
| 125 | D | A | -1.5090 | |
| 126 | W | A | 0.0000 | |
| 127 | W | A | -1.0251 | |
| 128 | E | A | -1.1207 | |
| 129 | A | A | 0.0000 | |
| 130 | R | A | -2.0825 | |
| 131 | S | A | 0.0000 | |
| 132 | I | A | 0.0117 | |
| 133 | A | A | -0.1479 | |
| 134 | T | A | -0.8338 | |
| 135 | G | A | -1.2947 | |
| 136 | K | A | -2.6020 | |
| 137 | N | A | -2.6249 | |
| 138 | G | A | -1.6513 | |
| 139 | Y | A | -0.8043 | |
| 140 | I | A | 0.0000 | |
| 141 | P | A | 0.0000 | |
| 142 | S | A | -0.5750 | |
| 143 | N | A | -0.7492 | |
| 144 | Y | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | A | A | 0.0000 | |
| 147 | P | A | -0.6444 | |
| 148 | A | A | -0.9902 | |
| 149 | D | A | -1.7577 | |
| 150 | S | A | -0.9681 | |
| 151 | I | A | -0.6742 | |
| 152 | Q | A | -1.0292 | |
| 153 | A | A | -1.1249 | |
| 154 | E | A | -1.4704 | |
| 155 | E | A | -1.8676 | |
| 156 | W | A | 0.0000 | |
| 157 | Y | A | 0.0000 | |
| 158 | F | A | -0.8341 | |
| 159 | G | A | -1.1761 | |
| 160 | K | A | -2.4217 | |
| 161 | M | A | -1.4624 | |
| 162 | G | A | -1.5801 | |
| 163 | R | A | -1.5827 | |
| 164 | K | A | -1.1162 | |
| 165 | D | A | -0.6524 | |
| 166 | A | A | 0.0000 | |
| 167 | E | A | -0.5625 | |
| 168 | R | A | -0.5393 | |
| 169 | L | A | -0.0994 | |
| 170 | L | A | 0.0000 | |
| 171 | L | A | -0.4648 | |
| 172 | N | A | -0.7282 | |
| 173 | P | A | -0.7358 | |
| 174 | G | A | -0.9778 | |
| 175 | N | A | -1.0429 | |
| 176 | Q | A | -1.7807 | |
| 177 | R | A | -1.7513 | |
| 178 | G | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | F | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | R | A | 0.0000 | |
| 184 | E | A | -2.7881 | |
| 185 | S | A | 0.0000 | |
| 186 | E | A | -2.9904 | |
| 187 | T | A | -1.7136 | |
| 188 | T | A | -1.9298 | |
| 189 | K | A | -2.5793 | |
| 190 | G | A | -2.1922 | |
| 191 | A | A | 0.0000 | |
| 192 | Y | A | -1.8332 | |
| 193 | S | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | S | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | R | A | 0.0000 | |
| 198 | D | A | 0.0000 | |
| 199 | W | A | -0.7123 | |
| 200 | D | A | -0.9819 | |
| 201 | E | A | -1.5045 | |
| 202 | V | A | 0.1454 | |
| 203 | R | A | -1.2472 | |
| 204 | G | A | -1.2973 | |
| 205 | D | A | -1.7688 | |
| 206 | N | A | -1.1209 | |
| 207 | V | A | 0.0000 | |
| 208 | K | A | -0.5445 | |
| 209 | H | A | 0.0000 | |
| 210 | Y | A | 0.0000 | |
| 211 | K | A | -1.2161 | |
| 212 | I | A | 0.0000 | |
| 213 | R | A | -2.2547 | |
| 214 | K | A | -2.8345 | |
| 215 | L | A | -2.2925 | |
| 216 | D | A | -2.7609 | |
| 217 | N | A | -2.5250 | |
| 218 | G | A | -2.0073 | |
| 219 | G | A | -2.2844 | |
| 220 | Y | A | -1.9824 | |
| 221 | Y | A | -1.4934 | |
| 222 | I | A | 0.0000 | |
| 223 | T | A | 0.0000 | |
| 224 | T | A | -1.5550 | |
| 225 | R | A | -2.4169 | |
| 226 | A | A | -1.5069 | |
| 227 | Q | A | -2.2550 | |
| 228 | F | A | -1.7276 | |
| 229 | D | A | -2.5234 | |
| 230 | T | A | -1.5474 | |
| 231 | L | A | 0.0000 | |
| 232 | Q | A | -1.5554 | |
| 233 | K | A | -2.4228 | |
| 234 | L | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | K | A | -2.8606 | |
| 237 | H | A | -2.4285 | |
| 238 | Y | A | 0.0000 | |
| 239 | T | A | -2.2709 | |
| 240 | E | A | -2.9551 | |
| 241 | H | A | -2.5228 | |
| 242 | A | A | -1.6958 | |
| 243 | D | A | -2.1055 | |
| 244 | G | A | -1.5659 | |
| 245 | L | A | 0.0000 | |
| 246 | C | A | -0.4452 | |
| 247 | H | A | -0.9280 | |
| 248 | K | A | -1.7877 | |
| 249 | L | A | 0.0000 | |
| 250 | T | A | -0.7815 | |
| 251 | T | A | -0.2647 | |
| 252 | V | A | -0.0327 | |
| 253 | C | A | 0.0000 | |
| 254 | P | A | -0.1198 | |
| 255 | T | A | 0.2263 | |
| 256 | V | A | 0.9985 | |
| 257 | K | A | -0.8000 | |
| 258 | P | A | -0.8527 | |
| 259 | Q | A | -1.2707 | |
| 260 | T | A | 0.0000 | |
| 261 | Q | A | -1.1583 | |
| 262 | G | A | -0.8261 | |
| 263 | L | A | 0.0000 | |
| 264 | A | A | -1.0956 | |
| 265 | K | A | -1.8683 | |
| 266 | D | A | -2.4012 | |
| 267 | A | A | -1.4755 | |
| 268 | W | A | -1.4898 | |
| 269 | E | A | -2.2495 | |
| 270 | I | A | 0.0000 | |
| 271 | P | A | -1.5985 | |
| 272 | R | A | -2.0982 | |
| 273 | E | A | -2.5683 | |
| 274 | S | A | -1.8641 | |
| 275 | L | A | 0.0000 | |
| 276 | R | A | -2.3932 | |
| 277 | L | A | -0.4857 | |
| 278 | E | A | -0.3090 | |
| 279 | V | A | 0.8121 | |
| 280 | K | A | -0.4844 | |
| 281 | L | A | 0.5156 | |
| 282 | G | A | -0.4343 | |
| 283 | Q | A | -1.3122 | |
| 284 | G | A | -0.5347 | |
| 285 | C | A | -0.4548 | |
| 286 | F | A | 0.0000 | |
| 287 | G | A | 0.0000 | |
| 288 | E | A | -1.1313 | |
| 289 | V | A | 0.0084 | |
| 290 | W | A | 0.1263 | |
| 291 | M | A | 0.0944 | |
| 292 | G | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | W | A | 0.0000 | |
| 295 | N | A | -1.8408 | |
| 296 | G | A | -1.5716 | |
| 297 | T | A | -1.2572 | |
| 298 | T | A | -1.3639 | |
| 299 | K | A | -1.9518 | |
| 300 | V | A | 0.0000 | |
| 301 | A | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | K | A | -0.3093 | |
| 304 | T | A | -0.6583 | |
| 305 | L | A | 0.0000 | |
| 306 | K | A | -1.9531 | |
| 307 | P | A | -1.5648 | |
| 308 | G | A | -1.2860 | |
| 309 | T | A | 0.0000 | |
| 310 | M | A | 0.0000 | |
| 311 | M | A | -0.3731 | |
| 312 | P | A | -1.2651 | |
| 313 | E | A | -1.9026 | |
| 314 | A | A | -1.0649 | |
| 315 | F | A | 0.0000 | |
| 316 | L | A | -1.0736 | |
| 317 | Q | A | -1.5013 | |
| 318 | E | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | Q | A | -0.9736 | |
| 321 | I | A | -0.0962 | |
| 322 | M | A | 0.0000 | |
| 323 | K | A | -1.3578 | |
| 324 | K | A | -2.0722 | |
| 325 | L | A | 0.0000 | |
| 326 | R | A | -2.6410 | |
| 327 | H | A | -2.0381 | |
| 328 | D | A | -2.2631 | |
| 329 | K | A | 0.0000 | |
| 330 | L | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | P | A | -1.1083 | |
| 333 | L | A | 0.0000 | |
| 334 | Y | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | V | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | S | A | -1.6868 | |
| 339 | E | A | -2.6123 | |
| 340 | E | A | -1.9413 | |
| 341 | P | A | -1.6286 | |
| 342 | I | A | 0.0000 | |
| 343 | Y | A | -0.8149 | |
| 344 | I | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | T | A | -0.1296 | |
| 347 | E | A | 0.0000 | |
| 348 | F | A | 0.0085 | |
| 349 | M | A | 0.0000 | |
| 350 | S | A | -0.6825 | |
| 351 | K | A | -1.2074 | |
| 352 | G | A | -0.1784 | |
| 353 | I | A | 0.1388 | |
| 354 | L | A | 0.0000 | |
| 355 | L | A | -0.9237 | |
| 356 | D | A | -2.3942 | |
| 357 | F | A | 0.0000 | |
| 358 | L | A | 0.0000 | |
| 359 | K | A | -3.1747 | |
| 360 | E | A | -3.2745 | |
| 361 | G | A | -2.5796 | |
| 362 | D | A | -2.5225 | |
| 363 | G | A | 0.0000 | |
| 364 | K | A | -2.0746 | |
| 365 | Y | A | -0.4107 | |
| 366 | L | A | 0.0000 | |
| 367 | K | A | -1.3721 | |
| 368 | L | A | -0.4032 | |
| 369 | P | A | -0.3970 | |
| 370 | Q | A | -0.7635 | |
| 371 | L | A | 0.0000 | |
| 372 | V | A | 0.0000 | |
| 373 | D | A | -0.7269 | |
| 374 | M | A | 0.0000 | |
| 375 | A | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | Q | A | 0.0000 | |
| 378 | I | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | -0.7851 | |
| 381 | G | A | 0.0000 | |
| 382 | M | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | Y | A | -1.2408 | |
| 385 | I | A | 0.0000 | |
| 386 | E | A | -1.4675 | |
| 387 | R | A | -2.1965 | |
| 388 | M | A | -1.0611 | |
| 389 | N | A | -1.4844 | |
| 390 | Y | A | -0.3602 | |
| 391 | I | A | 0.0562 | |
| 392 | H | A | 0.0000 | |
| 393 | R | A | -0.2893 | |
| 394 | D | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | R | A | 0.0000 | |
| 397 | A | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | N | A | 0.0000 | |
| 400 | I | A | 0.0000 | |
| 401 | L | A | 0.3239 | |
| 402 | V | A | 0.0000 | |
| 403 | G | A | 0.0000 | |
| 404 | E | A | -2.3350 | |
| 405 | N | A | -1.8500 | |
| 406 | L | A | -1.0347 | |
| 407 | V | A | -0.5474 | |
| 408 | C | A | 0.0000 | |
| 409 | K | A | 0.0000 | |
| 410 | I | A | 0.0000 | |
| 411 | A | A | 0.0027 | |
| 412 | D | A | -0.2901 | |
| 413 | F | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | L | A | 0.0000 | |
| 416 | A | A | -0.9258 | |
| 417 | R | A | -1.7377 | |
| 418 | L | A | 0.0000 | |
| 419 | I | A | -1.4648 | |
| 420 | E | A | -2.5805 | |
| 421 | D | A | -2.4446 | |
| 422 | N | A | -3.1227 | |
| 423 | E | A | -3.2293 | |
| 424 | Y | A | -2.2289 | |
| 425 | T | A | -2.1495 | |
| 426 | A | A | -1.7633 | |
| 427 | R | A | -2.8352 | |
| 428 | Q | A | -2.9724 | |
| 429 | G | A | 0.0000 | |
| 430 | A | A | -1.1892 | |
| 431 | K | A | -1.2277 | |
| 432 | F | A | -0.9102 | |
| 433 | P | A | 0.0000 | |
| 434 | I | A | 0.0000 | |
| 435 | K | A | -0.0632 | |
| 436 | W | A | 0.2305 | |
| 437 | T | A | 0.0000 | |
| 438 | A | A | 0.0000 | |
| 439 | P | A | 0.0000 | |
| 440 | E | A | 0.0000 | |
| 441 | A | A | 0.0000 | |
| 442 | A | A | 0.0000 | |
| 443 | L | A | 0.0345 | |
| 444 | Y | A | 0.4490 | |
| 445 | G | A | -0.7296 | |
| 446 | R | A | -1.4212 | |
| 447 | F | A | -0.5305 | |
| 448 | T | A | -0.3707 | |
| 449 | I | A | 0.0725 | |
| 450 | K | A | -1.1574 | |
| 451 | S | A | 0.0000 | |
| 452 | D | A | 0.0000 | |
| 453 | V | A | 0.0000 | |
| 454 | W | A | 0.0000 | |
| 455 | S | A | 0.0000 | |
| 456 | F | A | 0.0000 | |
| 457 | G | A | 0.0000 | |
| 458 | I | A | 0.0000 | |
| 459 | L | A | 0.0000 | |
| 460 | Q | A | 0.0000 | |
| 461 | T | A | 0.0000 | |
| 462 | E | A | 0.0000 | |
| 463 | L | A | 0.0000 | |
| 464 | V | A | -0.4140 | |
| 465 | T | A | -0.8644 | |
| 466 | K | A | -1.3423 | |
| 467 | G | A | 0.0000 | |
| 468 | R | A | -1.2362 | |
| 469 | V | A | 0.7325 | |
| 470 | P | A | 0.0000 | |
| 471 | Y | A | 0.0000 | |
| 472 | P | A | -0.0310 | |
| 473 | G | A | -0.0399 | |
| 474 | M | A | 0.0269 | |
| 475 | V | A | 0.3311 | |
| 476 | N | A | -1.1906 | |
| 477 | R | A | -2.8230 | |
| 478 | E | A | -2.2282 | |
| 479 | V | A | 0.0000 | |
| 480 | L | A | -1.7589 | |
| 481 | E | A | -2.7657 | |
| 482 | Q | A | -2.3168 | |
| 483 | V | A | 0.0000 | |
| 484 | E | A | -2.6467 | |
| 485 | R | A | -2.9026 | |
| 486 | G | A | -1.9838 | |
| 487 | Y | A | -0.6657 | |
| 488 | R | A | -0.6585 | |
| 489 | M | A | 0.0000 | |
| 490 | P | A | -0.3399 | |
| 491 | C | A | -0.9646 | |
| 492 | P | A | -0.8206 | |
| 493 | Q | A | -1.3370 | |
| 494 | G | A | -1.0876 | |
| 495 | C | A | -0.8200 | |
| 496 | P | A | -1.3431 | |
| 497 | E | A | -2.4157 | |
| 498 | S | A | -1.7402 | |
| 499 | L | A | 0.0000 | |
| 500 | H | A | -1.7877 | |
| 501 | E | A | -2.5394 | |
| 502 | L | A | 0.0000 | |
| 503 | M | A | 0.0000 | |
| 504 | N | A | -1.6158 | |
| 505 | L | A | -1.2462 | |
| 506 | C | A | 0.0000 | |
| 507 | W | A | 0.0000 | |
| 508 | K | A | -3.0686 | |
| 509 | K | A | -3.9613 | |
| 510 | D | A | -4.0373 | |
| 511 | P | A | -3.0047 | |
| 512 | D | A | -3.6573 | |
| 513 | E | A | -3.7336 | |
| 514 | R | A | 0.0000 | |
| 515 | P | A | -0.8613 | |
| 516 | T | A | -0.7082 | |
| 517 | F | A | 0.0000 | |
| 518 | E | A | -1.2695 | |
| 519 | Y | A | 0.1283 | |
| 520 | I | A | 0.0000 | |
| 521 | Q | A | -0.7805 | |
| 522 | S | A | -0.7357 | |
| 523 | F | A | -0.0838 | |
| 524 | L | A | 0.0000 | |
| 525 | E | A | -1.1293 | |
| 526 | D | A | -1.5355 | |
| 527 | Y | A | -0.0507 | |
| 528 | F | A | 0.7463 | |
| 529 | T | A | -0.5856 | |
| 530 | A | A | -0.5956 | |
| 531 | T | A | -0.7849 | |
| 532 | E | A | -1.7184 | |
| 533 | P | A | -1.5527 | |
| 534 | Q | A | -1.8375 | |
| 535 | Y | A | -1.1408 | |
| 536 | Q | A | -1.5229 | |
| 537 | P | A | -1.4749 | |
| 538 | G | A | -1.7715 | |
| 539 | E | A | -2.7716 | |
| 540 | N | A | -2.3697 | |
| 541 | L | A | -1.7796 |
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 | -0.5029 | 5.2016 | View | CSV | PDB |
| 4.5 | -0.5725 | 5.2016 | View | CSV | PDB |
| 5.0 | -0.6596 | 5.2016 | View | CSV | PDB |
| 5.5 | -0.7481 | 5.2016 | View | CSV | PDB |
| 6.0 | -0.8202 | 5.2016 | View | CSV | PDB |
| 6.5 | -0.8613 | 5.2016 | View | CSV | PDB |
| 7.0 | -0.8685 | 5.2016 | View | CSV | PDB |
| 7.5 | -0.8519 | 5.2016 | View | CSV | PDB |
| 8.0 | -0.8228 | 5.2016 | View | CSV | PDB |
| 8.5 | -0.7855 | 5.2016 | View | CSV | PDB |
| 9.0 | -0.7403 | 5.2016 | 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