| Chain sequence(s) | MAGLGPGGGDSEGGPRPLFCRKGALRQKVVHEVKSHKFTARFFKQPTFCSHCTDFIWGIGKQGLQCQVCSFVVHRRCHEFVTFECPGAGKGPQTDDPRNKHKFRLHSYSSPTFCDHCGSLLYGLVHQGMKCSCCEMNVHRRCVRSVPSLCGVDHTERRGRLQLEIRAPTSDEIHITVGEARNLIPMDPNGLSDPYVKLKLIPDPRNLTKQKTKTVKATLNPVWNETFVFNLKPGDVERRLSVEVWDWDRTSRNDFMGAMSFGVSELLKAPVDGWYKLLNQEEGEYYNVPVADADNCSLLQKFEACNYPLELYERVRMGPSSSPIPSPSPSPTDSKRCFFGASPGRLHISDFSFLMVLGKGSFGKVMLAERRGSDELYAIKILKKDVIVQDDDVDCTLVEKRVLALGGRGPGGRPHFLTQLHSTFQTPDRLYFVMEYVTGGDLMYHIQQLGKFKEPHAAFYAAEIAIGLFFLHNQGIIYRDLKLDNVMLDAEGHIKITDFGMCKENVFPGSTTRTFCGTPDYIAPEIIAYQPYGKSVDWWSFGVLLYEMLAGQPPFDGEDEEELFQAIMEQTVTYPKSLSREAVAICKGFLTKHPGKRLGSGPDGEPTIRAHGFFRWIDWERLERLEIAPPFRPRPCGRSGENFDKFFTRAAPALTPPDRLVLASIDQADFQGFTYVNPDFVHPDARSPTSPVPVPVM 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. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:16)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/433ee09302967c/tmp/folded.pdb (00:20:16)
[INFO] Main: Simulation completed successfully. (00:27:25)
|
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 | 1.1600 | |
| 2 | A | A | 0.7681 | |
| 3 | G | A | 0.5170 | |
| 4 | L | A | 1.0979 | |
| 5 | G | A | -0.1315 | |
| 6 | P | A | -0.5278 | |
| 7 | G | A | -0.8940 | |
| 8 | G | A | -1.4065 | |
| 9 | G | A | -1.7315 | |
| 10 | D | A | -2.6814 | |
| 11 | S | A | -2.2864 | |
| 12 | E | A | -2.7033 | |
| 13 | G | A | -2.1326 | |
| 14 | G | A | -1.8307 | |
| 15 | P | A | -1.5339 | |
| 16 | R | A | -1.6155 | |
| 17 | P | A | 0.1150 | |
| 18 | L | A | 1.7534 | |
| 19 | F | A | 1.9083 | |
| 20 | C | A | 0.5403 | |
| 21 | R | A | -1.5900 | |
| 22 | K | A | -2.1049 | |
| 23 | G | A | -1.4979 | |
| 24 | A | A | -0.8405 | |
| 25 | L | A | -0.1499 | |
| 26 | R | A | -1.7688 | |
| 27 | Q | A | -1.6643 | |
| 28 | K | A | -0.9925 | |
| 29 | V | A | 0.5828 | |
| 30 | V | A | -0.0426 | |
| 31 | H | A | -1.2999 | |
| 32 | E | A | -2.3336 | |
| 33 | V | A | -1.9621 | |
| 34 | K | A | -2.2705 | |
| 35 | S | A | -1.8398 | |
| 36 | H | A | 0.0000 | |
| 37 | K | A | -1.4856 | |
| 38 | F | A | 0.0000 | |
| 39 | T | A | 0.0000 | |
| 40 | A | A | -1.0247 | |
| 41 | R | A | -1.4622 | |
| 42 | F | A | 0.2209 | |
| 43 | F | A | 0.0000 | |
| 44 | K | A | -1.8783 | |
| 45 | Q | A | -1.1142 | |
| 46 | P | A | -0.2654 | |
| 47 | T | A | 0.0000 | |
| 48 | F | A | 0.4767 | |
| 49 | C | A | 0.0000 | |
| 50 | S | A | 0.0000 | |
| 51 | H | A | 0.0000 | |
| 52 | C | A | 0.0000 | |
| 53 | T | A | -0.8480 | |
| 54 | D | A | -0.6833 | |
| 55 | F | A | 0.8077 | |
| 56 | I | A | 0.0000 | |
| 57 | W | A | 1.5187 | |
| 58 | G | A | 1.2334 | |
| 59 | I | A | 1.8685 | |
| 60 | G | A | 0.1371 | |
| 61 | K | A | -1.0940 | |
| 62 | Q | A | -0.3465 | |
| 63 | G | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | Q | A | -0.8283 | |
| 66 | C | A | 0.0000 | |
| 67 | Q | A | -1.0265 | |
| 68 | V | A | -0.0869 | |
| 69 | C | A | 0.0000 | |
| 70 | S | A | -0.3270 | |
| 71 | F | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | H | A | 0.0000 | |
| 75 | R | A | -2.7399 | |
| 76 | R | A | -1.8182 | |
| 77 | C | A | 0.0000 | |
| 78 | H | A | -1.9903 | |
| 79 | E | A | -2.5426 | |
| 80 | F | A | 0.0000 | |
| 81 | V | A | 0.0000 | |
| 82 | T | A | -1.2871 | |
| 83 | F | A | 0.0000 | |
| 84 | E | A | -1.9635 | |
| 85 | C | A | 0.0000 | |
| 86 | P | A | -1.4359 | |
| 87 | G | A | -1.1676 | |
| 88 | A | A | -1.3044 | |
| 89 | G | A | -1.6730 | |
| 90 | K | A | -2.5435 | |
| 91 | G | A | -2.0368 | |
| 92 | P | A | -1.8393 | |
| 93 | Q | A | -2.6129 | |
| 94 | T | A | -2.2111 | |
| 95 | D | A | -3.0106 | |
| 96 | D | A | -2.4395 | |
| 97 | P | A | -2.3290 | |
| 98 | R | A | -3.0722 | |
| 99 | N | A | -2.3517 | |
| 100 | K | A | -2.9345 | |
| 101 | H | A | 0.0000 | |
| 102 | K | A | -2.4740 | |
| 103 | F | A | -1.8437 | |
| 104 | R | A | -2.1999 | |
| 105 | L | A | -0.6414 | |
| 106 | H | A | -0.4132 | |
| 107 | S | A | 0.2772 | |
| 108 | Y | A | 0.3630 | |
| 109 | S | A | 0.2020 | |
| 110 | S | A | -0.4138 | |
| 111 | P | A | -0.1109 | |
| 112 | T | A | 0.0116 | |
| 113 | F | A | 0.5556 | |
| 114 | C | A | 0.0000 | |
| 115 | D | A | -0.6397 | |
| 116 | H | A | 0.0000 | |
| 117 | C | A | -0.0193 | |
| 118 | G | A | 0.0000 | |
| 119 | S | A | 0.2871 | |
| 120 | L | A | 0.6103 | |
| 121 | L | A | 0.0000 | |
| 122 | Y | A | 1.6366 | |
| 123 | G | A | 1.2651 | |
| 124 | L | A | 2.1918 | |
| 125 | V | A | 2.1887 | |
| 126 | H | A | 0.2247 | |
| 127 | Q | A | 0.5336 | |
| 128 | G | A | 0.0000 | |
| 129 | M | A | -1.6340 | |
| 130 | K | A | -1.6079 | |
| 131 | C | A | 0.0000 | |
| 132 | S | A | -1.1678 | |
| 133 | C | A | -0.4124 | |
| 134 | C | A | -0.7155 | |
| 135 | E | A | -1.8375 | |
| 136 | M | A | 0.0000 | |
| 137 | N | A | -1.1051 | |
| 138 | V | A | 0.0000 | |
| 139 | H | A | 0.0000 | |
| 140 | R | A | -3.1157 | |
| 141 | R | A | -3.0708 | |
| 142 | C | A | 0.0000 | |
| 143 | V | A | -1.9249 | |
| 144 | R | A | -2.5288 | |
| 145 | S | A | -1.1687 | |
| 146 | V | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | S | A | -1.5777 | |
| 149 | L | A | -0.6822 | |
| 150 | C | A | 0.0000 | |
| 151 | G | A | -0.9254 | |
| 152 | V | A | 0.1432 | |
| 153 | D | A | -1.2855 | |
| 154 | H | A | -0.8757 | |
| 155 | T | A | -1.0328 | |
| 156 | E | A | 0.0000 | |
| 157 | R | A | -2.2672 | |
| 158 | R | A | -1.4734 | |
| 159 | G | A | 0.0000 | |
| 160 | R | A | -0.8782 | |
| 161 | L | A | 0.0000 | |
| 162 | Q | A | -1.3156 | |
| 163 | L | A | 0.0000 | |
| 164 | E | A | -2.6252 | |
| 165 | I | A | 0.0000 | |
| 166 | R | A | -2.1914 | |
| 167 | A | A | -1.5491 | |
| 168 | P | A | -1.0569 | |
| 169 | T | A | -1.2384 | |
| 170 | S | A | -1.4034 | |
| 171 | D | A | -2.7338 | |
| 172 | E | A | -2.0173 | |
| 173 | I | A | 0.0000 | |
| 174 | H | A | -0.6120 | |
| 175 | I | A | 0.0000 | |
| 176 | T | A | -1.2920 | |
| 177 | V | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | E | A | -0.7250 | |
| 180 | A | A | 0.0000 | |
| 181 | R | A | -1.0694 | |
| 182 | N | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | I | A | -0.4639 | |
| 185 | P | A | -0.2781 | |
| 186 | M | A | -0.3576 | |
| 187 | D | A | -1.0944 | |
| 188 | P | A | -1.0886 | |
| 189 | N | A | -1.5229 | |
| 190 | G | A | -0.7180 | |
| 191 | L | A | -0.5249 | |
| 192 | S | A | 0.0000 | |
| 193 | D | A | -1.2459 | |
| 194 | P | A | 0.0000 | |
| 195 | Y | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | K | A | -1.2414 | |
| 198 | L | A | 0.0000 | |
| 199 | K | A | -0.9346 | |
| 200 | L | A | 0.0000 | |
| 201 | I | A | -0.7096 | |
| 202 | P | A | -1.1876 | |
| 203 | D | A | 0.0000 | |
| 204 | P | A | -1.1016 | |
| 205 | R | A | -1.9493 | |
| 206 | N | A | -1.5092 | |
| 207 | L | A | 0.1154 | |
| 208 | T | A | -0.5859 | |
| 209 | K | A | -1.4488 | |
| 210 | Q | A | -1.1379 | |
| 211 | K | A | -2.0600 | |
| 212 | T | A | 0.0000 | |
| 213 | K | A | -1.9903 | |
| 214 | T | A | -1.0484 | |
| 215 | V | A | -0.7078 | |
| 216 | K | A | -1.6514 | |
| 217 | A | A | -1.0532 | |
| 218 | T | A | -0.5356 | |
| 219 | L | A | 0.0000 | |
| 220 | N | A | -1.0577 | |
| 221 | P | A | 0.0000 | |
| 222 | V | A | 0.5936 | |
| 223 | W | A | 0.0000 | |
| 224 | N | A | -1.3654 | |
| 225 | E | A | -1.2853 | |
| 226 | T | A | -0.3987 | |
| 227 | F | A | 0.4233 | |
| 228 | V | A | 0.7238 | |
| 229 | F | A | 0.0000 | |
| 230 | N | A | -2.0799 | |
| 231 | L | A | 0.0000 | |
| 232 | K | A | -2.5284 | |
| 233 | P | A | -1.5789 | |
| 234 | G | A | -1.3033 | |
| 235 | D | A | 0.0000 | |
| 236 | V | A | -1.0188 | |
| 237 | E | A | -1.9465 | |
| 238 | R | A | -1.1392 | |
| 239 | R | A | -0.8439 | |
| 240 | L | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | V | A | 0.0000 | |
| 243 | E | A | 0.0000 | |
| 244 | V | A | 0.0000 | |
| 245 | W | A | -0.1042 | |
| 246 | D | A | 0.0000 | |
| 247 | W | A | -1.5564 | |
| 248 | D | A | -2.3481 | |
| 249 | R | A | -2.6753 | |
| 250 | T | A | -1.9131 | |
| 251 | S | A | -2.3067 | |
| 252 | R | A | -3.2863 | |
| 253 | N | A | -2.1456 | |
| 254 | D | A | -1.5065 | |
| 255 | F | A | -0.5340 | |
| 256 | M | A | 0.0000 | |
| 257 | G | A | 0.0000 | |
| 258 | A | A | 0.0000 | |
| 259 | M | A | 0.0000 | |
| 260 | S | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | -1.4437 | |
| 265 | E | A | -2.4168 | |
| 266 | L | A | 0.0000 | |
| 267 | L | A | -1.5484 | |
| 268 | K | A | -2.3469 | |
| 269 | A | A | -1.6635 | |
| 270 | P | A | -1.9332 | |
| 271 | V | A | -1.9570 | |
| 272 | D | A | -2.6293 | |
| 273 | G | A | -1.6807 | |
| 274 | W | A | -0.9540 | |
| 275 | Y | A | 0.0000 | |
| 276 | K | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | L | A | -1.1373 | |
| 279 | N | A | -1.9821 | |
| 280 | Q | A | -2.4778 | |
| 281 | E | A | -2.5587 | |
| 282 | E | A | -1.7726 | |
| 283 | G | A | 0.0000 | |
| 284 | E | A | -1.2474 | |
| 285 | Y | A | 0.0959 | |
| 286 | Y | A | 0.8422 | |
| 287 | N | A | 0.4420 | |
| 288 | V | A | 0.3974 | |
| 289 | P | A | -0.1638 | |
| 290 | V | A | 0.0000 | |
| 291 | A | A | -0.7993 | |
| 292 | D | A | -2.2257 | |
| 293 | A | A | -1.9123 | |
| 294 | D | A | -2.7049 | |
| 295 | N | A | -1.9070 | |
| 296 | C | A | -0.5886 | |
| 297 | S | A | -0.5621 | |
| 298 | L | A | -0.7553 | |
| 299 | L | A | 0.0585 | |
| 300 | Q | A | -1.4696 | |
| 301 | K | A | -1.8427 | |
| 302 | F | A | -0.7055 | |
| 303 | E | A | -2.0764 | |
| 304 | A | A | -1.1011 | |
| 305 | C | A | -0.2680 | |
| 306 | N | A | -0.8060 | |
| 307 | Y | A | 1.1244 | |
| 308 | P | A | 0.7531 | |
| 309 | L | A | 1.1381 | |
| 310 | E | A | -0.9195 | |
| 311 | L | A | 0.5939 | |
| 312 | Y | A | 0.9498 | |
| 313 | E | A | -1.3859 | |
| 314 | R | A | -1.4990 | |
| 315 | V | A | 0.3287 | |
| 316 | R | A | -1.4490 | |
| 317 | M | A | -0.3773 | |
| 318 | G | A | -0.7906 | |
| 319 | P | A | -0.6309 | |
| 320 | S | A | -0.4380 | |
| 321 | S | A | -0.2449 | |
| 322 | S | A | -0.1021 | |
| 323 | P | A | 0.4455 | |
| 324 | I | A | 1.6156 | |
| 325 | P | A | 0.4428 | |
| 326 | S | A | -0.1370 | |
| 327 | P | A | -0.3881 | |
| 328 | S | A | -0.5917 | |
| 329 | P | A | -0.6191 | |
| 330 | S | A | -0.7720 | |
| 331 | P | A | -0.8710 | |
| 332 | T | A | -1.4174 | |
| 333 | D | A | -2.6908 | |
| 334 | S | A | -2.2568 | |
| 335 | K | A | -2.8004 | |
| 336 | R | A | -1.7439 | |
| 337 | C | A | 0.8845 | |
| 338 | F | A | 2.3645 | |
| 339 | F | A | 2.6281 | |
| 340 | G | A | 1.0868 | |
| 341 | A | A | -0.0411 | |
| 342 | S | A | -0.7735 | |
| 343 | P | A | -1.0768 | |
| 344 | G | A | -1.4073 | |
| 345 | R | A | -2.1531 | |
| 346 | L | A | -1.2578 | |
| 347 | H | A | -1.4113 | |
| 348 | I | A | -0.3260 | |
| 349 | S | A | -0.8796 | |
| 350 | D | A | -1.5818 | |
| 351 | F | A | 0.0000 | |
| 352 | S | A | -0.6543 | |
| 353 | F | A | 0.2204 | |
| 354 | L | A | 0.1890 | |
| 355 | M | A | -0.1659 | |
| 356 | V | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | G | A | -0.7640 | |
| 359 | K | A | -1.6836 | |
| 360 | G | A | -1.3514 | |
| 361 | S | A | -1.1410 | |
| 362 | F | A | -0.5460 | |
| 363 | G | A | -0.5962 | |
| 364 | K | A | -0.8691 | |
| 365 | V | A | -0.3701 | |
| 366 | M | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | E | A | -2.0062 | |
| 370 | R | A | -2.5848 | |
| 371 | R | A | -3.1037 | |
| 372 | G | A | -2.1723 | |
| 373 | S | A | -2.2259 | |
| 374 | D | A | -3.1938 | |
| 375 | E | A | -2.5715 | |
| 376 | L | A | -1.6208 | |
| 377 | Y | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | I | A | 0.0000 | |
| 380 | K | A | -0.4856 | |
| 381 | I | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | K | A | -0.2589 | |
| 384 | K | A | 0.0000 | |
| 385 | D | A | 0.0000 | |
| 386 | V | A | -0.9511 | |
| 387 | I | A | 0.0000 | |
| 388 | V | A | -1.5782 | |
| 389 | Q | A | -2.1366 | |
| 390 | D | A | -2.9909 | |
| 391 | D | A | -3.1058 | |
| 392 | D | A | -2.0711 | |
| 393 | V | A | -1.7513 | |
| 394 | D | A | -2.1704 | |
| 395 | C | A | -1.1375 | |
| 396 | T | A | 0.0000 | |
| 397 | L | A | -1.1085 | |
| 398 | V | A | -0.8791 | |
| 399 | E | A | 0.0000 | |
| 400 | K | A | -0.8353 | |
| 401 | R | A | -1.2341 | |
| 402 | V | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | -0.5717 | |
| 405 | L | A | -0.5869 | |
| 406 | G | A | -1.2459 | |
| 407 | G | A | -1.8254 | |
| 408 | R | A | -2.6933 | |
| 409 | G | A | -1.8933 | |
| 410 | P | A | -1.6740 | |
| 411 | G | A | -1.3134 | |
| 412 | G | A | -1.5520 | |
| 413 | R | A | -1.1440 | |
| 414 | P | A | -1.1660 | |
| 415 | H | A | -0.5853 | |
| 416 | F | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | T | A | 0.0000 | |
| 419 | Q | A | -0.3319 | |
| 420 | L | A | 0.0000 | |
| 421 | H | A | -0.0355 | |
| 422 | S | A | 0.0000 | |
| 423 | T | A | 0.0000 | |
| 424 | F | A | 0.0000 | |
| 425 | Q | A | -0.6417 | |
| 426 | T | A | -0.5646 | |
| 427 | P | A | -0.7841 | |
| 428 | D | A | -0.9605 | |
| 429 | R | A | 0.0000 | |
| 430 | L | A | 0.0000 | |
| 431 | Y | A | 0.0000 | |
| 432 | F | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | M | A | 0.0255 | |
| 435 | E | A | 0.0000 | |
| 436 | Y | A | 0.0000 | |
| 437 | V | A | 0.0000 | |
| 438 | T | A | -0.9877 | |
| 439 | G | A | 0.0000 | |
| 440 | G | A | 0.0000 | |
| 441 | D | A | -0.6065 | |
| 442 | L | A | 0.0000 | |
| 443 | M | A | -0.7106 | |
| 444 | Y | A | -0.4769 | |
| 445 | H | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | Q | A | -1.6082 | |
| 448 | Q | A | -1.1887 | |
| 449 | L | A | -0.1617 | |
| 450 | G | A | -1.2219 | |
| 451 | K | A | -2.2672 | |
| 452 | F | A | 0.0000 | |
| 453 | K | A | -2.1850 | |
| 454 | E | A | -1.6463 | |
| 455 | P | A | -0.8466 | |
| 456 | H | A | -1.1118 | |
| 457 | A | A | 0.0000 | |
| 458 | A | A | 0.0000 | |
| 459 | F | A | 0.0000 | |
| 460 | Y | A | 0.0000 | |
| 461 | A | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | E | A | 0.0000 | |
| 464 | I | A | 0.0000 | |
| 465 | A | A | 0.0000 | |
| 466 | I | A | 0.0000 | |
| 467 | G | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | F | A | 0.0000 | |
| 470 | F | A | -0.5744 | |
| 471 | L | A | 0.0000 | |
| 472 | H | A | 0.0000 | |
| 473 | N | A | -1.4227 | |
| 474 | Q | A | -1.2664 | |
| 475 | G | A | 0.0000 | |
| 476 | I | A | 0.0000 | |
| 477 | I | A | 0.0000 | |
| 478 | Y | A | 0.0000 | |
| 479 | R | A | 0.0000 | |
| 480 | D | A | -0.6562 | |
| 481 | L | A | 0.0000 | |
| 482 | K | A | -0.9334 | |
| 483 | L | A | 0.0000 | |
| 484 | D | A | -1.8982 | |
| 485 | N | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | M | A | -0.3048 | |
| 488 | L | A | 0.0000 | |
| 489 | D | A | -1.2741 | |
| 490 | A | A | -1.9882 | |
| 491 | E | A | -2.4996 | |
| 492 | G | A | 0.0000 | |
| 493 | H | A | 0.0000 | |
| 494 | I | A | 0.0000 | |
| 495 | K | A | 0.0000 | |
| 496 | I | A | 0.0000 | |
| 497 | T | A | 0.0000 | |
| 498 | D | A | -1.4420 | |
| 499 | F | A | 0.0000 | |
| 500 | G | A | -0.6218 | |
| 501 | M | A | -0.1379 | |
| 502 | C | A | 0.0000 | |
| 503 | K | A | -1.2138 | |
| 504 | E | A | -1.2402 | |
| 505 | N | A | -1.3327 | |
| 506 | V | A | 0.0000 | |
| 507 | F | A | 0.2488 | |
| 508 | P | A | -0.1664 | |
| 509 | G | A | -0.3105 | |
| 510 | S | A | -0.3232 | |
| 511 | T | A | -0.8851 | |
| 512 | T | A | -1.3203 | |
| 513 | R | A | -1.8691 | |
| 514 | T | A | -0.8067 | |
| 515 | F | A | -0.1678 | |
| 516 | C | A | 0.0711 | |
| 517 | G | A | -0.1087 | |
| 518 | T | A | -0.2639 | |
| 519 | P | A | -0.8014 | |
| 520 | D | A | -0.8162 | |
| 521 | Y | A | 0.0000 | |
| 522 | I | A | 0.0000 | |
| 523 | A | A | 0.0000 | |
| 524 | P | A | 0.0000 | |
| 525 | E | A | 0.0000 | |
| 526 | I | A | 0.0000 | |
| 527 | I | A | -0.0529 | |
| 528 | A | A | -0.0139 | |
| 529 | Y | A | -0.3466 | |
| 530 | Q | A | -1.0106 | |
| 531 | P | A | -1.1430 | |
| 532 | Y | A | 0.0000 | |
| 533 | G | A | -0.5720 | |
| 534 | K | A | -0.4571 | |
| 535 | S | A | 0.0000 | |
| 536 | V | A | 0.0000 | |
| 537 | D | A | 0.0000 | |
| 538 | W | A | 0.0000 | |
| 539 | W | A | 0.0000 | |
| 540 | S | A | 0.0000 | |
| 541 | F | A | 0.0000 | |
| 542 | G | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | L | A | 0.0000 | |
| 545 | L | A | 0.0000 | |
| 546 | Y | A | 0.0000 | |
| 547 | E | A | 0.0000 | |
| 548 | M | A | 0.0000 | |
| 549 | L | A | 0.0000 | |
| 550 | A | A | -1.1638 | |
| 551 | G | A | -1.4584 | |
| 552 | Q | A | -1.9579 | |
| 553 | P | A | -1.0819 | |
| 554 | P | A | -0.8255 | |
| 555 | F | A | 0.0000 | |
| 556 | D | A | -3.2525 | |
| 557 | G | A | -3.5455 | |
| 558 | E | A | -3.4860 | |
| 559 | D | A | -3.4379 | |
| 560 | E | A | -3.6420 | |
| 561 | E | A | -3.6947 | |
| 562 | E | A | -3.8836 | |
| 563 | L | A | 0.0000 | |
| 564 | F | A | 0.0000 | |
| 565 | Q | A | -2.8566 | |
| 566 | A | A | 0.0000 | |
| 567 | I | A | 0.0000 | |
| 568 | M | A | -1.3469 | |
| 569 | E | A | -2.5160 | |
| 570 | Q | A | -2.3177 | |
| 571 | T | A | -0.9852 | |
| 572 | V | A | -0.5937 | |
| 573 | T | A | -0.2416 | |
| 574 | Y | A | -0.4073 | |
| 575 | P | A | -0.8185 | |
| 576 | K | A | -1.9414 | |
| 577 | S | A | -1.1432 | |
| 578 | L | A | -1.2889 | |
| 579 | S | A | -1.5946 | |
| 580 | R | A | -2.5855 | |
| 581 | E | A | -2.5411 | |
| 582 | A | A | 0.0000 | |
| 583 | V | A | -1.4065 | |
| 584 | A | A | -1.4785 | |
| 585 | I | A | 0.0000 | |
| 586 | C | A | 0.0000 | |
| 587 | K | A | -1.7816 | |
| 588 | G | A | -1.1752 | |
| 589 | F | A | 0.0000 | |
| 590 | L | A | 0.0000 | |
| 591 | T | A | -1.4644 | |
| 592 | K | A | -1.7123 | |
| 593 | H | A | -1.9232 | |
| 594 | P | A | -1.4929 | |
| 595 | G | A | -1.7430 | |
| 596 | K | A | -2.3878 | |
| 597 | R | A | 0.0000 | |
| 598 | L | A | -0.9974 | |
| 599 | G | A | -1.0717 | |
| 600 | S | A | -1.3183 | |
| 601 | G | A | -1.6515 | |
| 602 | P | A | -1.4720 | |
| 603 | D | A | -2.2539 | |
| 604 | G | A | 0.0000 | |
| 605 | E | A | -1.2981 | |
| 606 | P | A | -1.2518 | |
| 607 | T | A | -1.0442 | |
| 608 | I | A | 0.0000 | |
| 609 | R | A | -1.1132 | |
| 610 | A | A | -0.8445 | |
| 611 | H | A | -1.0620 | |
| 612 | G | A | -1.5329 | |
| 613 | F | A | 0.0000 | |
| 614 | F | A | 0.0000 | |
| 615 | R | A | -1.9460 | |
| 616 | W | A | -0.3714 | |
| 617 | I | A | 0.0000 | |
| 618 | D | A | -2.3622 | |
| 619 | W | A | -2.3412 | |
| 620 | E | A | -3.4515 | |
| 621 | R | A | -3.3742 | |
| 622 | L | A | 0.0000 | |
| 623 | E | A | -2.9001 | |
| 624 | R | A | -2.9374 | |
| 625 | L | A | -1.8293 | |
| 626 | E | A | -2.2381 | |
| 627 | I | A | -1.2649 | |
| 628 | A | A | -0.6445 | |
| 629 | P | A | -0.6838 | |
| 630 | P | A | -0.5195 | |
| 631 | F | A | -0.6275 | |
| 632 | R | A | -2.5078 | |
| 633 | P | A | 0.0000 | |
| 634 | R | A | -2.7098 | |
| 635 | P | A | -2.0987 | |
| 636 | C | A | 0.0000 | |
| 637 | G | A | -1.6314 | |
| 638 | R | A | -2.3134 | |
| 639 | S | A | -1.3643 | |
| 640 | G | A | 0.0000 | |
| 641 | E | A | -2.0283 | |
| 642 | N | A | -1.3414 | |
| 643 | F | A | -0.9475 | |
| 644 | D | A | -1.8674 | |
| 645 | K | A | -1.6015 | |
| 646 | F | A | 0.4453 | |
| 647 | F | A | -0.4409 | |
| 648 | T | A | -1.0737 | |
| 649 | R | A | -1.7791 | |
| 650 | A | A | -0.4899 | |
| 651 | A | A | -0.2539 | |
| 652 | P | A | 0.0368 | |
| 653 | A | A | 0.2694 | |
| 654 | L | A | 0.2776 | |
| 655 | T | A | -0.1886 | |
| 656 | P | A | -0.7845 | |
| 657 | P | A | -1.0342 | |
| 658 | D | A | -1.6658 | |
| 659 | R | A | -1.6071 | |
| 660 | L | A | 0.5528 | |
| 661 | V | A | 0.3026 | |
| 662 | L | A | -0.4510 | |
| 663 | A | A | -0.3152 | |
| 664 | S | A | -0.2789 | |
| 665 | I | A | 0.0000 | |
| 666 | D | A | -2.6182 | |
| 667 | Q | A | -2.3711 | |
| 668 | A | A | -2.0686 | |
| 669 | D | A | -2.7442 | |
| 670 | F | A | 0.0000 | |
| 671 | Q | A | -2.1519 | |
| 672 | G | A | -1.0621 | |
| 673 | F | A | 0.0000 | |
| 674 | T | A | -0.3977 | |
| 675 | Y | A | -0.0040 | |
| 676 | V | A | 0.1672 | |
| 677 | N | A | -0.1397 | |
| 678 | P | A | -0.5033 | |
| 679 | D | A | -1.2549 | |
| 680 | F | A | -0.1374 | |
| 681 | V | A | -0.2884 | |
| 682 | H | A | -0.9539 | |
| 683 | P | A | -1.4884 | |
| 684 | D | A | -2.6981 | |
| 685 | A | A | -1.7570 | |
| 686 | R | A | -2.4314 | |
| 687 | S | A | -1.5657 | |
| 688 | P | A | -1.1917 | |
| 689 | T | A | -0.5925 | |
| 690 | S | A | -0.0515 | |
| 691 | P | A | 0.5042 | |
| 692 | V | A | 1.7006 | |
| 693 | P | A | 1.5406 | |
| 694 | V | A | 2.5748 | |
| 695 | P | A | 1.9275 | |
| 696 | V | A | 2.6109 | |
| 697 | M | A | 2.0849 |
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 | -0.4656 | 6.2813 | View | CSV | PDB |
| 4.5 | -0.5295 | 6.2813 | View | CSV | PDB |
| 5.0 | -0.6074 | 6.2813 | View | CSV | PDB |
| 5.5 | -0.6865 | 6.2813 | View | CSV | PDB |
| 6.0 | -0.7538 | 6.2813 | View | CSV | PDB |
| 6.5 | -0.8004 | 6.2813 | View | CSV | PDB |
| 7.0 | -0.8256 | 6.2813 | View | CSV | PDB |
| 7.5 | -0.8355 | 6.2813 | View | CSV | PDB |
| 8.0 | -0.8358 | 6.2813 | View | CSV | PDB |
| 8.5 | -0.8278 | 6.2813 | View | CSV | PDB |
| 9.0 | -0.81 | 6.2813 | 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