| Chain sequence(s) | MNPSAPSYPMASLYVGDLHPDVTEAMLYEKFSPAGPILSIRVCRDMITRRSLGYAYVNFQQPADAERALDTMNFDVIKGKPVRIMWSQRDPSLRKSGVGNIFIKNLDKSIDNKALYDTFSAFGNILSCKVVCDENGSKGYGFVHFETQEAAERAIEKMNGMLLNDRKVFVGRFKSRKEREAELGARAKEFTNVYIKNFGEDMDDERLKDLFGKFGPALSVKVMTDESGKSKGFGFVSFERHEDAQKAVDEMNGKELNGKQIYVGRAQKKVERQTELKRKFEQMKQDRITRYQGVNLYVKNLDDGIDDERLRKEFSPFGTITSAKVMMEGGRSKGFGFVCFSSPEEATKAVTEMNGRIVATKPLYVALAQRKEERQAHLTNQYMQRMASVRAVPNPVINPYQPAPPSGYFMAAIPQTQNRAAYYPPSQIAQLRPSPRWTAQGARPHPFQNMPGAIRPAAPRPPFSTMRPASSQVPRVMSTQRVANTSTQTMGPRPAAAAAAATPAVRTVPQYKYAAGVRNPQQHLNAQPQVTMQQPAVHVQGQEPLTASMLASAPPQEQKQMLGERLFPLIQAMHPTLAGKITGMLLEIDNSELLHMLESPESLRSKVDEAVAVLQAHQAKEAAQKAVNSATGVPTV 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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:38:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/64f5ffc5dbf5f7/tmp/folded.pdb (00:38:14)
[INFO] Main: Simulation completed successfully. (00:45:28)
|
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 | 0.3570 | |
| 2 | N | A | -0.9381 | |
| 3 | P | A | -0.7023 | |
| 4 | S | A | -0.6174 | |
| 5 | A | A | -0.4707 | |
| 6 | P | A | -0.3082 | |
| 7 | S | A | -0.1511 | |
| 8 | Y | A | 0.1877 | |
| 9 | P | A | 0.0624 | |
| 10 | M | A | 0.0942 | |
| 11 | A | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | Y | A | 0.1433 | |
| 15 | V | A | 0.0000 | |
| 16 | G | A | 0.0000 | |
| 17 | D | A | -0.5580 | |
| 18 | L | A | 0.0000 | |
| 19 | H | A | -1.4789 | |
| 20 | P | A | -1.7994 | |
| 21 | D | A | -2.6508 | |
| 22 | V | A | 0.0000 | |
| 23 | T | A | -0.8529 | |
| 24 | E | A | -1.0638 | |
| 25 | A | A | -0.4978 | |
| 26 | M | A | -0.8008 | |
| 27 | L | A | 0.0000 | |
| 28 | Y | A | -0.2709 | |
| 29 | E | A | -1.6911 | |
| 30 | K | A | -1.2087 | |
| 31 | F | A | 0.0000 | |
| 32 | S | A | -0.6968 | |
| 33 | P | A | -0.7833 | |
| 34 | A | A | 0.0000 | |
| 35 | G | A | -0.6800 | |
| 36 | P | A | -0.4444 | |
| 37 | I | A | 0.0000 | |
| 38 | L | A | 0.8928 | |
| 39 | S | A | 0.2054 | |
| 40 | I | A | -0.2865 | |
| 41 | R | A | -1.7607 | |
| 42 | V | A | 0.0000 | |
| 43 | C | A | -0.7982 | |
| 44 | R | A | -1.5504 | |
| 45 | D | A | -0.7216 | |
| 46 | M | A | 0.8685 | |
| 47 | I | A | 1.4421 | |
| 48 | T | A | -0.5293 | |
| 49 | R | A | -2.1447 | |
| 50 | R | A | -2.7930 | |
| 51 | S | A | -1.6274 | |
| 52 | L | A | 0.1148 | |
| 53 | G | A | -0.3161 | |
| 54 | Y | A | 0.2187 | |
| 55 | A | A | 0.0000 | |
| 56 | Y | A | 0.0667 | |
| 57 | V | A | 0.0000 | |
| 58 | N | A | -0.1787 | |
| 59 | F | A | 0.0000 | |
| 60 | Q | A | -1.2902 | |
| 61 | Q | A | -1.6467 | |
| 62 | P | A | -1.4052 | |
| 63 | A | A | -1.3390 | |
| 64 | D | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | E | A | -2.4548 | |
| 67 | R | A | -2.3490 | |
| 68 | A | A | 0.0000 | |
| 69 | L | A | -1.4280 | |
| 70 | D | A | -2.4142 | |
| 71 | T | A | -1.4277 | |
| 72 | M | A | -0.8212 | |
| 73 | N | A | -0.8940 | |
| 74 | F | A | -0.8492 | |
| 75 | D | A | -0.4625 | |
| 76 | V | A | 0.5290 | |
| 77 | I | A | 0.0000 | |
| 78 | K | A | -2.1848 | |
| 79 | G | A | -1.2896 | |
| 80 | K | A | -1.1635 | |
| 81 | P | A | -0.8091 | |
| 82 | V | A | 0.0000 | |
| 83 | R | A | -0.4059 | |
| 84 | I | A | 0.0000 | |
| 85 | M | A | -0.0108 | |
| 86 | W | A | 0.0474 | |
| 87 | S | A | -0.5777 | |
| 88 | Q | A | -1.6023 | |
| 89 | R | A | -2.8068 | |
| 90 | D | A | -2.8111 | |
| 91 | P | A | -2.2809 | |
| 92 | S | A | -1.7581 | |
| 93 | L | A | -1.2021 | |
| 94 | R | A | -2.8063 | |
| 95 | K | A | -2.5139 | |
| 96 | S | A | -1.0732 | |
| 97 | G | A | -1.0715 | |
| 98 | V | A | -0.4229 | |
| 99 | G | A | 0.0000 | |
| 100 | N | A | -0.8252 | |
| 101 | I | A | 0.0000 | |
| 102 | F | A | -0.2233 | |
| 103 | I | A | 0.0000 | |
| 104 | K | A | -1.5084 | |
| 105 | N | A | -1.7343 | |
| 106 | L | A | 0.0000 | |
| 107 | D | A | -2.8157 | |
| 108 | K | A | -2.7513 | |
| 109 | S | A | -1.6899 | |
| 110 | I | A | 0.0000 | |
| 111 | D | A | -2.0419 | |
| 112 | N | A | -1.7329 | |
| 113 | K | A | -2.5459 | |
| 114 | A | A | -1.6713 | |
| 115 | L | A | 0.0000 | |
| 116 | Y | A | -1.4089 | |
| 117 | D | A | -1.9026 | |
| 118 | T | A | -0.8749 | |
| 119 | F | A | 0.0000 | |
| 120 | S | A | -0.7866 | |
| 121 | A | A | -0.4997 | |
| 122 | F | A | -1.0307 | |
| 123 | G | A | -1.3442 | |
| 124 | N | A | -1.4639 | |
| 125 | I | A | 0.0000 | |
| 126 | L | A | -0.3586 | |
| 127 | S | A | 0.0000 | |
| 128 | C | A | 0.0000 | |
| 129 | K | A | -0.6157 | |
| 130 | V | A | 0.0000 | |
| 131 | V | A | -0.1701 | |
| 132 | C | A | -1.3007 | |
| 133 | D | A | -2.3540 | |
| 134 | E | A | -3.0001 | |
| 135 | N | A | -2.8360 | |
| 136 | G | A | -2.2276 | |
| 137 | S | A | -2.0382 | |
| 138 | K | A | -2.2582 | |
| 139 | G | A | -1.6547 | |
| 140 | Y | A | -0.6538 | |
| 141 | G | A | 0.0000 | |
| 142 | F | A | 0.0741 | |
| 143 | V | A | 0.0000 | |
| 144 | H | A | -0.4255 | |
| 145 | F | A | 0.0000 | |
| 146 | E | A | -1.4877 | |
| 147 | T | A | -1.7928 | |
| 148 | Q | A | -2.7671 | |
| 149 | E | A | -3.2599 | |
| 150 | A | A | 0.0000 | |
| 151 | A | A | 0.0000 | |
| 152 | E | A | -4.2302 | |
| 153 | R | A | -3.7629 | |
| 154 | A | A | 0.0000 | |
| 155 | I | A | -2.6948 | |
| 156 | E | A | -3.5860 | |
| 157 | K | A | -2.9920 | |
| 158 | M | A | 0.0000 | |
| 159 | N | A | -1.7577 | |
| 160 | G | A | -0.9598 | |
| 161 | M | A | -0.3920 | |
| 162 | L | A | -0.6208 | |
| 163 | L | A | -1.2400 | |
| 164 | N | A | -2.6201 | |
| 165 | D | A | -2.8612 | |
| 166 | R | A | -2.8581 | |
| 167 | K | A | -2.4284 | |
| 168 | V | A | 0.0000 | |
| 169 | F | A | -0.1675 | |
| 170 | V | A | 0.0000 | |
| 171 | G | A | -1.4094 | |
| 172 | R | A | -2.0373 | |
| 173 | F | A | -1.0515 | |
| 174 | K | A | -2.5329 | |
| 175 | S | A | -2.7119 | |
| 176 | R | A | -3.7814 | |
| 177 | K | A | -3.9456 | |
| 178 | E | A | -3.3549 | |
| 179 | R | A | -3.3243 | |
| 180 | E | A | -3.6787 | |
| 181 | A | A | -2.5248 | |
| 182 | E | A | -2.6450 | |
| 183 | L | A | -1.3270 | |
| 184 | G | A | -1.7376 | |
| 185 | A | A | -2.2664 | |
| 186 | R | A | -3.0429 | |
| 187 | A | A | -1.9758 | |
| 188 | K | A | -3.1454 | |
| 189 | E | A | -3.7943 | |
| 190 | F | A | -2.7332 | |
| 191 | T | A | -2.0618 | |
| 192 | N | A | -1.5338 | |
| 193 | V | A | 0.0000 | |
| 194 | Y | A | -0.1709 | |
| 195 | I | A | 0.0000 | |
| 196 | K | A | -1.2296 | |
| 197 | N | A | -2.0699 | |
| 198 | F | A | 0.0000 | |
| 199 | G | A | -2.5372 | |
| 200 | E | A | -3.3491 | |
| 201 | D | A | -2.7412 | |
| 202 | M | A | -2.8429 | |
| 203 | D | A | -3.3029 | |
| 204 | D | A | -3.2049 | |
| 205 | E | A | -4.1946 | |
| 206 | R | A | -4.0787 | |
| 207 | L | A | 0.0000 | |
| 208 | K | A | -3.8497 | |
| 209 | D | A | -3.7933 | |
| 210 | L | A | -2.1529 | |
| 211 | F | A | 0.0000 | |
| 212 | G | A | -2.2504 | |
| 213 | K | A | -2.3623 | |
| 214 | F | A | 0.0000 | |
| 215 | G | A | -1.6101 | |
| 216 | P | A | -1.1112 | |
| 217 | A | A | -0.8538 | |
| 218 | L | A | 0.6354 | |
| 219 | S | A | -0.1306 | |
| 220 | V | A | -1.2858 | |
| 221 | K | A | -1.4453 | |
| 222 | V | A | 0.0000 | |
| 223 | M | A | -0.9004 | |
| 224 | T | A | -2.3516 | |
| 225 | D | A | -2.7548 | |
| 226 | E | A | -2.7326 | |
| 227 | S | A | -1.9855 | |
| 228 | G | A | -2.2256 | |
| 229 | K | A | -3.2056 | |
| 230 | S | A | 0.0000 | |
| 231 | K | A | -2.7241 | |
| 232 | G | A | -2.0806 | |
| 233 | F | A | -0.8588 | |
| 234 | G | A | 0.0000 | |
| 235 | F | A | -0.1030 | |
| 236 | V | A | 0.0000 | |
| 237 | S | A | -0.5920 | |
| 238 | F | A | 0.0000 | |
| 239 | E | A | -2.5830 | |
| 240 | R | A | -3.2870 | |
| 241 | H | A | -3.4904 | |
| 242 | E | A | -3.2778 | |
| 243 | D | A | 0.0000 | |
| 244 | A | A | 0.0000 | |
| 245 | Q | A | -2.8942 | |
| 246 | K | A | -2.9192 | |
| 247 | A | A | 0.0000 | |
| 248 | V | A | -2.2878 | |
| 249 | D | A | -3.3740 | |
| 250 | E | A | -3.5131 | |
| 251 | M | A | 0.0000 | |
| 252 | N | A | -3.1295 | |
| 253 | G | A | -2.8561 | |
| 254 | K | A | -3.6160 | |
| 255 | E | A | -3.9682 | |
| 256 | L | A | -2.5427 | |
| 257 | N | A | -2.7670 | |
| 258 | G | A | -2.5591 | |
| 259 | K | A | -3.4236 | |
| 260 | Q | A | -3.6784 | |
| 261 | I | A | 0.0000 | |
| 262 | Y | A | -1.1327 | |
| 263 | V | A | 0.0000 | |
| 264 | G | A | -0.9114 | |
| 265 | R | A | -1.5152 | |
| 266 | A | A | -1.3164 | |
| 267 | Q | A | -2.1035 | |
| 268 | K | A | -2.6850 | |
| 269 | K | A | -2.3576 | |
| 270 | V | A | -0.4195 | |
| 271 | E | A | -1.6714 | |
| 272 | R | A | -2.4708 | |
| 273 | Q | A | -2.3427 | |
| 274 | T | A | -1.9096 | |
| 275 | E | A | -2.3895 | |
| 276 | L | A | -2.1713 | |
| 277 | K | A | -3.4592 | |
| 278 | R | A | -4.1625 | |
| 279 | K | A | -3.5808 | |
| 280 | F | A | -2.1300 | |
| 281 | E | A | -3.6421 | |
| 282 | Q | A | -3.5126 | |
| 283 | M | A | -2.3201 | |
| 284 | K | A | -3.1737 | |
| 285 | Q | A | -3.0323 | |
| 286 | D | A | -2.4907 | |
| 287 | R | A | -2.7740 | |
| 288 | I | A | -1.3974 | |
| 289 | T | A | -1.7578 | |
| 290 | R | A | -2.4476 | |
| 291 | Y | A | -1.1821 | |
| 292 | Q | A | -1.6425 | |
| 293 | G | A | -1.3428 | |
| 294 | V | A | 0.0000 | |
| 295 | N | A | -0.4528 | |
| 296 | L | A | 0.0000 | |
| 297 | Y | A | 0.4739 | |
| 298 | V | A | 0.0000 | |
| 299 | K | A | -0.7833 | |
| 300 | N | A | -0.7393 | |
| 301 | L | A | 0.0000 | |
| 302 | D | A | -1.4856 | |
| 303 | D | A | -2.7672 | |
| 304 | G | A | -1.9824 | |
| 305 | I | A | 0.0000 | |
| 306 | D | A | -2.6991 | |
| 307 | D | A | -3.0834 | |
| 308 | E | A | -4.1940 | |
| 309 | R | A | -4.3071 | |
| 310 | L | A | 0.0000 | |
| 311 | R | A | -3.6769 | |
| 312 | K | A | -3.9623 | |
| 313 | E | A | -2.9072 | |
| 314 | F | A | 0.0000 | |
| 315 | S | A | -1.6126 | |
| 316 | P | A | -1.0787 | |
| 317 | F | A | 0.0000 | |
| 318 | G | A | -0.7658 | |
| 319 | T | A | -0.3532 | |
| 320 | I | A | -0.4903 | |
| 321 | T | A | -0.2412 | |
| 322 | S | A | -0.5729 | |
| 323 | A | A | -1.7447 | |
| 324 | K | A | -1.8232 | |
| 325 | V | A | 0.0000 | |
| 326 | M | A | -0.5246 | |
| 327 | M | A | -1.2048 | |
| 328 | E | A | -2.5524 | |
| 329 | G | A | -2.0358 | |
| 330 | G | A | -1.9946 | |
| 331 | R | A | -3.1016 | |
| 332 | S | A | 0.0000 | |
| 333 | K | A | -1.8209 | |
| 334 | G | A | -1.4957 | |
| 335 | F | A | -0.4695 | |
| 336 | G | A | 0.0000 | |
| 337 | F | A | -0.0252 | |
| 338 | V | A | 0.0000 | |
| 339 | C | A | 0.0000 | |
| 340 | F | A | 0.0000 | |
| 341 | S | A | -0.7918 | |
| 342 | S | A | -1.2432 | |
| 343 | P | A | -1.5095 | |
| 344 | E | A | -2.3648 | |
| 345 | E | A | -1.6566 | |
| 346 | A | A | 0.0000 | |
| 347 | T | A | -1.3188 | |
| 348 | K | A | -1.8811 | |
| 349 | A | A | 0.0000 | |
| 350 | V | A | -0.7757 | |
| 351 | T | A | -1.4435 | |
| 352 | E | A | -2.2186 | |
| 353 | M | A | 0.0000 | |
| 354 | N | A | -1.5231 | |
| 355 | G | A | -0.9615 | |
| 356 | R | A | -0.8680 | |
| 357 | I | A | 1.1579 | |
| 358 | V | A | 0.4197 | |
| 359 | A | A | 0.0012 | |
| 360 | T | A | -0.0809 | |
| 361 | K | A | -0.3737 | |
| 362 | P | A | -0.0341 | |
| 363 | L | A | 0.0000 | |
| 364 | Y | A | 0.3796 | |
| 365 | V | A | 0.0000 | |
| 366 | A | A | 0.3231 | |
| 367 | L | A | 0.3808 | |
| 368 | A | A | -0.7001 | |
| 369 | Q | A | -2.9769 | |
| 370 | R | A | -3.4124 | |
| 371 | K | A | -4.4362 | |
| 372 | E | A | -4.5728 | |
| 373 | E | A | -4.3599 | |
| 374 | R | A | -4.6002 | |
| 375 | Q | A | -3.9278 | |
| 376 | A | A | -2.9132 | |
| 377 | H | A | -3.0308 | |
| 378 | L | A | -1.3462 | |
| 379 | T | A | -1.7124 | |
| 380 | N | A | -2.5842 | |
| 381 | Q | A | -2.4881 | |
| 382 | Y | A | -1.3222 | |
| 383 | M | A | -1.4391 | |
| 384 | Q | A | -2.2250 | |
| 385 | R | A | -2.4409 | |
| 386 | M | A | -0.9696 | |
| 387 | A | A | -0.7978 | |
| 388 | S | A | -0.2916 | |
| 389 | V | A | 0.7609 | |
| 390 | R | A | -0.7041 | |
| 391 | A | A | 0.3643 | |
| 392 | V | A | 1.2115 | |
| 393 | P | A | 0.0369 | |
| 394 | N | A | -0.3357 | |
| 395 | P | A | 0.5443 | |
| 396 | V | A | 1.8861 | |
| 397 | I | A | 2.1050 | |
| 398 | N | A | 0.2024 | |
| 399 | P | A | 0.2206 | |
| 400 | Y | A | 0.4648 | |
| 401 | Q | A | -0.8952 | |
| 402 | P | A | -0.6289 | |
| 403 | A | A | -0.5477 | |
| 404 | P | A | -0.4433 | |
| 405 | P | A | -0.5945 | |
| 406 | S | A | -0.3603 | |
| 407 | G | A | 0.3905 | |
| 408 | Y | A | 2.2483 | |
| 409 | F | A | 3.0210 | |
| 410 | M | A | 2.2992 | |
| 411 | A | A | 1.4288 | |
| 412 | A | A | 1.1038 | |
| 413 | I | A | 1.5939 | |
| 414 | P | A | -0.0737 | |
| 415 | Q | A | -1.2161 | |
| 416 | T | A | -1.6105 | |
| 417 | Q | A | -2.6170 | |
| 418 | N | A | -2.8601 | |
| 419 | R | A | -2.5622 | |
| 420 | A | A | -0.7809 | |
| 421 | A | A | 0.4081 | |
| 422 | Y | A | 1.6751 | |
| 423 | Y | A | 1.7671 | |
| 424 | P | A | 0.4089 | |
| 425 | P | A | -0.0888 | |
| 426 | S | A | -0.4095 | |
| 427 | Q | A | -0.5167 | |
| 428 | I | A | 1.3082 | |
| 429 | A | A | 0.5288 | |
| 430 | Q | A | -0.5577 | |
| 431 | L | A | 0.2347 | |
| 432 | R | A | -1.5723 | |
| 433 | P | A | -1.1505 | |
| 434 | S | A | -1.1629 | |
| 435 | P | A | -1.2378 | |
| 436 | R | A | -1.4757 | |
| 437 | W | A | 0.0600 | |
| 438 | T | A | -0.2975 | |
| 439 | A | A | -0.5688 | |
| 440 | Q | A | -1.5295 | |
| 441 | G | A | -1.6348 | |
| 442 | A | A | -1.3947 | |
| 443 | R | A | -2.3990 | |
| 444 | P | A | -1.5302 | |
| 445 | H | A | -1.1765 | |
| 446 | P | A | -0.2378 | |
| 447 | F | A | 0.7548 | |
| 448 | Q | A | -0.7422 | |
| 449 | N | A | -1.0310 | |
| 450 | M | A | -0.0571 | |
| 451 | P | A | -0.2519 | |
| 452 | G | A | 0.0958 | |
| 453 | A | A | 0.3105 | |
| 454 | I | A | 0.8797 | |
| 455 | R | A | -0.8430 | |
| 456 | P | A | -0.6585 | |
| 457 | A | A | -0.4333 | |
| 458 | A | A | -0.4166 | |
| 459 | P | A | -1.1292 | |
| 460 | R | A | -2.1356 | |
| 461 | P | A | -1.0012 | |
| 462 | P | A | 0.1517 | |
| 463 | F | A | 1.6515 | |
| 464 | S | A | 0.8502 | |
| 465 | T | A | 0.3065 | |
| 466 | M | A | -0.0242 | |
| 467 | R | A | -1.4270 | |
| 468 | P | A | -0.9229 | |
| 469 | A | A | -0.5514 | |
| 470 | S | A | -0.6013 | |
| 471 | S | A | -0.5712 | |
| 472 | Q | A | -0.5605 | |
| 473 | V | A | 0.7004 | |
| 474 | P | A | -0.1681 | |
| 475 | R | A | -0.5439 | |
| 476 | V | A | 1.2603 | |
| 477 | M | A | 1.3909 | |
| 478 | S | A | 0.4551 | |
| 479 | T | A | -0.9326 | |
| 480 | Q | A | -1.8099 | |
| 481 | R | A | -1.5601 | |
| 482 | V | A | 0.4258 | |
| 483 | A | A | -0.0530 | |
| 484 | N | A | -0.9551 | |
| 485 | T | A | -0.8775 | |
| 486 | S | A | -0.8144 | |
| 487 | T | A | -0.7932 | |
| 488 | Q | A | -1.0792 | |
| 489 | T | A | -0.3254 | |
| 490 | M | A | 0.4711 | |
| 491 | G | A | -0.4527 | |
| 492 | P | A | -1.1933 | |
| 493 | R | A | -2.1709 | |
| 494 | P | A | -1.2003 | |
| 495 | A | A | -0.4479 | |
| 496 | A | A | 0.0799 | |
| 497 | A | A | 0.1436 | |
| 498 | A | A | 0.1430 | |
| 499 | A | A | 0.1439 | |
| 500 | A | A | 0.1162 | |
| 501 | A | A | 0.0188 | |
| 502 | T | A | -0.1592 | |
| 503 | P | A | 0.1337 | |
| 504 | A | A | 0.4506 | |
| 505 | V | A | 0.8055 | |
| 506 | R | A | -0.6115 | |
| 507 | T | A | 0.1164 | |
| 508 | V | A | 1.1048 | |
| 509 | P | A | 0.1186 | |
| 510 | Q | A | -0.7121 | |
| 511 | Y | A | 0.3500 | |
| 512 | K | A | -0.7318 | |
| 513 | Y | A | 0.8401 | |
| 514 | A | A | 0.3766 | |
| 515 | A | A | 0.4893 | |
| 516 | G | A | 0.0481 | |
| 517 | V | A | 0.2581 | |
| 518 | R | A | -1.6262 | |
| 519 | N | A | -2.2858 | |
| 520 | P | A | -2.1706 | |
| 521 | Q | A | -2.4770 | |
| 522 | Q | A | -2.2282 | |
| 523 | H | A | -1.3301 | |
| 524 | L | A | 0.2354 | |
| 525 | N | A | -0.9726 | |
| 526 | A | A | -1.0300 | |
| 527 | Q | A | -1.6306 | |
| 528 | P | A | -1.0373 | |
| 529 | Q | A | -0.7173 | |
| 530 | V | A | 0.9229 | |
| 531 | T | A | 0.3723 | |
| 532 | M | A | 0.1597 | |
| 533 | Q | A | -1.1178 | |
| 534 | Q | A | -1.2911 | |
| 535 | P | A | -1.2438 | |
| 536 | A | A | -1.3060 | |
| 537 | V | A | 0.0000 | |
| 538 | H | A | -2.0251 | |
| 539 | V | A | -1.5397 | |
| 540 | Q | A | -1.9751 | |
| 541 | G | A | -1.7565 | |
| 542 | Q | A | -2.2780 | |
| 543 | E | A | -2.5303 | |
| 544 | P | A | -1.5865 | |
| 545 | L | A | 0.0000 | |
| 546 | T | A | -0.4341 | |
| 547 | A | A | -0.1509 | |
| 548 | S | A | -0.0467 | |
| 549 | M | A | 0.1921 | |
| 550 | L | A | 0.0000 | |
| 551 | A | A | -0.1565 | |
| 552 | S | A | -0.3438 | |
| 553 | A | A | -0.9099 | |
| 554 | P | A | -1.3241 | |
| 555 | P | A | -1.9566 | |
| 556 | Q | A | -2.7764 | |
| 557 | E | A | -2.9901 | |
| 558 | Q | A | -2.3999 | |
| 559 | K | A | -3.5543 | |
| 560 | Q | A | -3.0621 | |
| 561 | M | A | -1.9395 | |
| 562 | L | A | 0.0000 | |
| 563 | G | A | -1.5795 | |
| 564 | E | A | -1.8800 | |
| 565 | R | A | 0.0000 | |
| 566 | L | A | 0.0000 | |
| 567 | F | A | -0.0142 | |
| 568 | P | A | -0.0629 | |
| 569 | L | A | 0.0654 | |
| 570 | I | A | 0.0000 | |
| 571 | Q | A | -0.3632 | |
| 572 | A | A | -0.0406 | |
| 573 | M | A | -0.4466 | |
| 574 | H | A | -0.5334 | |
| 575 | P | A | -0.4518 | |
| 576 | T | A | -0.4846 | |
| 577 | L | A | -0.4904 | |
| 578 | A | A | 0.0000 | |
| 579 | G | A | -1.2128 | |
| 580 | K | A | -1.6512 | |
| 581 | I | A | 0.0000 | |
| 582 | T | A | 0.0000 | |
| 583 | G | A | -1.2114 | |
| 584 | M | A | -0.5967 | |
| 585 | L | A | 0.0000 | |
| 586 | L | A | -1.6352 | |
| 587 | E | A | -2.1397 | |
| 588 | I | A | -1.8336 | |
| 589 | D | A | -2.8850 | |
| 590 | N | A | -2.5428 | |
| 591 | S | A | -1.8692 | |
| 592 | E | A | -2.7083 | |
| 593 | L | A | 0.0000 | |
| 594 | L | A | -1.6660 | |
| 595 | H | A | -2.2319 | |
| 596 | M | A | 0.0000 | |
| 597 | L | A | -1.5118 | |
| 598 | E | A | -2.6579 | |
| 599 | S | A | -2.0939 | |
| 600 | P | A | -2.1605 | |
| 601 | E | A | -2.9614 | |
| 602 | S | A | -2.4531 | |
| 603 | L | A | 0.0000 | |
| 604 | R | A | -3.4852 | |
| 605 | S | A | -2.9378 | |
| 606 | K | A | -2.7197 | |
| 607 | V | A | 0.0000 | |
| 608 | D | A | -3.0120 | |
| 609 | E | A | -2.5972 | |
| 610 | A | A | 0.0000 | |
| 611 | V | A | -0.8897 | |
| 612 | A | A | -0.5135 | |
| 613 | V | A | 0.5881 | |
| 614 | L | A | -0.7591 | |
| 615 | Q | A | -1.4648 | |
| 616 | A | A | -1.1873 | |
| 617 | H | A | -2.1747 | |
| 618 | Q | A | -2.7489 | |
| 619 | A | A | -2.3576 | |
| 620 | K | A | -3.5099 | |
| 621 | E | A | -3.2000 | |
| 622 | A | A | -2.2063 | |
| 623 | A | A | -1.8793 | |
| 624 | Q | A | -2.5138 | |
| 625 | K | A | -2.5976 | |
| 626 | A | A | -1.0077 | |
| 627 | V | A | 0.0673 | |
| 628 | N | A | -1.2676 | |
| 629 | S | A | -0.7507 | |
| 630 | A | A | -0.1297 | |
| 631 | T | A | 0.1028 | |
| 632 | G | A | 0.1669 | |
| 633 | V | A | 1.3944 | |
| 634 | P | A | 0.8703 | |
| 635 | T | A | 1.0572 | |
| 636 | V | A | 1.8613 |
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 | -0.8742 | 5.7034 | View | CSV | PDB |
| 4.5 | -0.9418 | 5.7034 | View | CSV | PDB |
| 5.0 | -1.0253 | 5.7034 | View | CSV | PDB |
| 5.5 | -1.1063 | 5.7034 | View | CSV | PDB |
| 6.0 | -1.1653 | 5.7034 | View | CSV | PDB |
| 6.5 | -1.1897 | 5.7034 | View | CSV | PDB |
| 7.0 | -1.1791 | 5.7034 | View | CSV | PDB |
| 7.5 | -1.1436 | 5.7034 | View | CSV | PDB |
| 8.0 | -1.094 | 5.7034 | View | CSV | PDB |
| 8.5 | -1.0355 | 5.7032 | View | CSV | PDB |
| 9.0 | -0.9696 | 5.7029 | 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