| Chain sequence(s) | MDVCARLALWLLWGLLLHQGQSLSHSHSEKNTGASSGATSEESTEAEFCRIDKPLCHSEDEKLSFEAVRNIHKLMDDDANGDVDVEESDEFLREDLNYHDPTVKHSTFHGEDKLISVEDLWKAWKASEVYNWTVDEVIQWLITYVELPQYEETFRKLQLTGHAMPRLAVTNTTMTGTVLKMTDRSHRQKLQLKALDTVLFGPPLLTRHNHLKDFMLVVSIVIGVGGCWFAYIQNRYSKEHMKKMMKDLEGLHRAEQSLHDLQERLHKAQEEHRTVEVEKVHLEKKLRDEINLAKQEAQRLKELREGTENERSRQKYAEEELEQVREALRKAEKELESHSSWYAPEALQKWLQLTHEVEVQYYNIKKQNAERQLLVAKEGAEKIKKKRNTLFGTFHVAHSSSLDDVDHKILTAKQALSEVTAALRERLHRWQQIEILCGFQIVNNPGIHSLVAALNIDPSWMGSTRPNPAHFIMTDDVDDMDEEIVSPLSMQSPSLQSSVRQRLTEPQHGLGSQRDLTHSDSESSLHTSDRQRVAPKPPQMGRAADEALNATSSNGSHRLIEGVHPGSLVEKLPDSPALAKKTILALNHGLDKAHSLMELNPSVPPGGSPLLDSSHSHSPSSPDPDTPSPVGDSRALQGSRNTRIPHLAGKKAMAEEDNGSIGEETDSSPGRKKFPLKIFKKPLKK 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:49)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/38798eef5e665d/tmp/folded.pdb (00:12:49)
[INFO] Main: Simulation completed successfully. (00:25:17)
|
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 | 0.5628 | |
| 2 | D | A | -0.7693 | |
| 3 | V | A | 0.8967 | |
| 4 | C | A | 1.1112 | |
| 5 | A | A | 0.4263 | |
| 6 | R | A | -0.0140 | |
| 7 | L | A | 1.6712 | |
| 8 | A | A | 1.9965 | |
| 9 | L | A | 3.1103 | |
| 10 | W | A | 3.3702 | |
| 11 | L | A | 3.9538 | |
| 12 | L | A | 4.0212 | |
| 13 | W | A | 3.7584 | |
| 14 | G | A | 2.8017 | |
| 15 | L | A | 2.9631 | |
| 16 | L | A | 2.2744 | |
| 17 | L | A | 1.6908 | |
| 18 | H | A | -0.4346 | |
| 19 | Q | A | -1.2244 | |
| 20 | G | A | -0.9754 | |
| 21 | Q | A | -1.5191 | |
| 22 | S | A | -0.5346 | |
| 23 | L | A | 0.8042 | |
| 24 | S | A | -0.2035 | |
| 25 | H | A | -1.0740 | |
| 26 | S | A | -1.2735 | |
| 27 | H | A | -1.8113 | |
| 28 | S | A | -2.0555 | |
| 29 | E | A | -3.2699 | |
| 30 | K | A | -3.2827 | |
| 31 | N | A | -2.6578 | |
| 32 | T | A | -1.2256 | |
| 33 | G | A | -0.7627 | |
| 34 | A | A | -0.3541 | |
| 35 | S | A | -0.5032 | |
| 36 | S | A | -0.5688 | |
| 37 | G | A | -0.6688 | |
| 38 | A | A | -0.8607 | |
| 39 | T | A | -1.1845 | |
| 40 | S | A | -1.9298 | |
| 41 | E | A | -3.2815 | |
| 42 | E | A | -3.2681 | |
| 43 | S | A | -2.1942 | |
| 44 | T | A | -2.4146 | |
| 45 | E | A | -2.8774 | |
| 46 | A | A | -1.9944 | |
| 47 | E | A | -1.7649 | |
| 48 | F | A | 0.0000 | |
| 49 | C | A | -1.9206 | |
| 50 | R | A | -2.4586 | |
| 51 | I | A | -1.4563 | |
| 52 | D | A | 0.0000 | |
| 53 | K | A | -2.2672 | |
| 54 | P | A | -1.2048 | |
| 55 | L | A | -1.0505 | |
| 56 | C | A | 0.0000 | |
| 57 | H | A | -2.1127 | |
| 58 | S | A | -1.8642 | |
| 59 | E | A | -2.7599 | |
| 60 | D | A | -2.6527 | |
| 61 | E | A | 0.0000 | |
| 62 | K | A | -1.9031 | |
| 63 | L | A | -0.8254 | |
| 64 | S | A | 0.0000 | |
| 65 | F | A | 0.0000 | |
| 66 | E | A | -1.7612 | |
| 67 | A | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | R | A | -1.5264 | |
| 70 | N | A | -1.3690 | |
| 71 | I | A | 0.0000 | |
| 72 | H | A | 0.0000 | |
| 73 | K | A | -2.3483 | |
| 74 | L | A | -0.4975 | |
| 75 | M | A | 0.0000 | |
| 76 | D | A | -2.4112 | |
| 77 | D | A | -3.4149 | |
| 78 | D | A | -3.4309 | |
| 79 | A | A | -2.4414 | |
| 80 | N | A | -2.5984 | |
| 81 | G | A | -1.9204 | |
| 82 | D | A | -1.9990 | |
| 83 | V | A | 0.0000 | |
| 84 | D | A | -2.0076 | |
| 85 | V | A | -1.5045 | |
| 86 | E | A | -2.6023 | |
| 87 | E | A | -2.4935 | |
| 88 | S | A | 0.0000 | |
| 89 | D | A | -2.6073 | |
| 90 | E | A | -3.8854 | |
| 91 | F | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | R | A | -4.0145 | |
| 94 | E | A | -4.0948 | |
| 95 | D | A | -3.1054 | |
| 96 | L | A | 0.0000 | |
| 97 | N | A | -3.2643 | |
| 98 | Y | A | -2.5955 | |
| 99 | H | A | -2.5336 | |
| 100 | D | A | -2.2396 | |
| 101 | P | A | 0.0000 | |
| 102 | T | A | -0.0711 | |
| 103 | V | A | 1.1699 | |
| 104 | K | A | 0.1825 | |
| 105 | H | A | -0.2329 | |
| 106 | S | A | -0.3717 | |
| 107 | T | A | -0.0973 | |
| 108 | F | A | -0.3802 | |
| 109 | H | A | 0.0000 | |
| 110 | G | A | -2.2608 | |
| 111 | E | A | -3.2129 | |
| 112 | D | A | -3.3904 | |
| 113 | K | A | -2.8892 | |
| 114 | L | A | -1.1379 | |
| 115 | I | A | 0.0000 | |
| 116 | S | A | -1.1831 | |
| 117 | V | A | 0.0000 | |
| 118 | E | A | -2.0199 | |
| 119 | D | A | -1.7724 | |
| 120 | L | A | 0.0000 | |
| 121 | W | A | 0.0000 | |
| 122 | K | A | -2.2590 | |
| 123 | A | A | -1.1551 | |
| 124 | W | A | 0.0000 | |
| 125 | K | A | -1.4726 | |
| 126 | A | A | -1.0010 | |
| 127 | S | A | -1.0106 | |
| 128 | E | A | -1.3968 | |
| 129 | V | A | 0.0000 | |
| 130 | Y | A | -1.0706 | |
| 131 | N | A | -1.7487 | |
| 132 | W | A | 0.0000 | |
| 133 | T | A | -1.4541 | |
| 134 | V | A | -1.8862 | |
| 135 | D | A | -2.7773 | |
| 136 | E | A | -2.2111 | |
| 137 | V | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | Q | A | -2.0341 | |
| 140 | W | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | I | A | -0.8658 | |
| 143 | T | A | -0.4879 | |
| 144 | Y | A | -0.1585 | |
| 145 | V | A | 0.0000 | |
| 146 | E | A | -2.0004 | |
| 147 | L | A | 0.0000 | |
| 148 | P | A | -1.5811 | |
| 149 | Q | A | -1.9079 | |
| 150 | Y | A | 0.0000 | |
| 151 | E | A | -2.3090 | |
| 152 | E | A | -3.0459 | |
| 153 | T | A | -2.1804 | |
| 154 | F | A | 0.0000 | |
| 155 | R | A | -2.7925 | |
| 156 | K | A | -2.6499 | |
| 157 | L | A | -1.0595 | |
| 158 | Q | A | -1.9639 | |
| 159 | L | A | -1.0095 | |
| 160 | T | A | -0.9669 | |
| 161 | G | A | 0.0000 | |
| 162 | H | A | -0.8660 | |
| 163 | A | A | -0.5057 | |
| 164 | M | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | R | A | -0.7146 | |
| 167 | L | A | 0.0000 | |
| 168 | A | A | 0.0000 | |
| 169 | V | A | -0.3555 | |
| 170 | T | A | -0.8086 | |
| 171 | N | A | -1.0837 | |
| 172 | T | A | -0.5327 | |
| 173 | T | A | -0.3789 | |
| 174 | M | A | -0.1968 | |
| 175 | T | A | -1.0157 | |
| 176 | G | A | -0.9750 | |
| 177 | T | A | -0.1882 | |
| 178 | V | A | 0.5595 | |
| 179 | L | A | 0.0000 | |
| 180 | K | A | -1.5686 | |
| 181 | M | A | 0.0000 | |
| 182 | T | A | -1.3500 | |
| 183 | D | A | -1.9243 | |
| 184 | R | A | -2.8318 | |
| 185 | S | A | -2.1381 | |
| 186 | H | A | -2.1246 | |
| 187 | R | A | -2.5579 | |
| 188 | Q | A | -2.5807 | |
| 189 | K | A | -2.2747 | |
| 190 | L | A | 0.0000 | |
| 191 | Q | A | -1.1650 | |
| 192 | L | A | -1.0477 | |
| 193 | K | A | -0.7063 | |
| 194 | A | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | 0.0000 | |
| 197 | T | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | F | A | 0.3611 | |
| 201 | G | A | 0.0446 | |
| 202 | P | A | 0.3326 | |
| 203 | P | A | 0.9618 | |
| 204 | L | A | 1.6207 | |
| 205 | L | A | 0.7749 | |
| 206 | T | A | -0.8812 | |
| 207 | R | A | -2.2615 | |
| 208 | H | A | -2.5680 | |
| 209 | N | A | -1.9384 | |
| 210 | H | A | -0.8145 | |
| 211 | L | A | 1.0257 | |
| 212 | K | A | -0.3691 | |
| 213 | D | A | 0.6996 | |
| 214 | F | A | 3.0188 | |
| 215 | M | A | 2.7588 | |
| 216 | L | A | 3.3733 | |
| 217 | V | A | 4.4705 | |
| 218 | V | A | 3.9963 | |
| 219 | S | A | 3.6904 | |
| 220 | I | A | 5.0363 | |
| 221 | V | A | 4.9861 | |
| 222 | I | A | 4.5085 | |
| 223 | G | A | 3.4628 | |
| 224 | V | A | 4.1874 | |
| 225 | G | A | 3.3927 | |
| 226 | G | A | 2.7357 | |
| 227 | C | A | 3.0196 | |
| 228 | W | A | 3.0395 | |
| 229 | F | A | 2.8453 | |
| 230 | A | A | 1.3795 | |
| 231 | Y | A | 1.4583 | |
| 232 | I | A | 0.4479 | |
| 233 | Q | A | -1.1632 | |
| 234 | N | A | -1.9589 | |
| 235 | R | A | -2.4819 | |
| 236 | Y | A | -1.6661 | |
| 237 | S | A | -2.6351 | |
| 238 | K | A | -3.6050 | |
| 239 | E | A | -3.5614 | |
| 240 | H | A | -3.3621 | |
| 241 | M | A | -2.4840 | |
| 242 | K | A | -3.7422 | |
| 243 | K | A | -3.7975 | |
| 244 | M | A | -1.9308 | |
| 245 | M | A | -2.0584 | |
| 246 | K | A | -3.5866 | |
| 247 | D | A | -3.1417 | |
| 248 | L | A | -1.6653 | |
| 249 | E | A | -3.1267 | |
| 250 | G | A | -2.6486 | |
| 251 | L | A | -1.0834 | |
| 252 | H | A | -2.6530 | |
| 253 | R | A | -3.4188 | |
| 254 | A | A | -1.5504 | |
| 255 | E | A | -1.7690 | |
| 256 | Q | A | -2.7448 | |
| 257 | S | A | -1.7468 | |
| 258 | L | A | -0.7004 | |
| 259 | H | A | -2.3744 | |
| 260 | D | A | -2.4363 | |
| 261 | L | A | -1.1228 | |
| 262 | Q | A | -2.1143 | |
| 263 | E | A | -3.7992 | |
| 264 | R | A | -3.7592 | |
| 265 | L | A | -2.9415 | |
| 266 | H | A | -4.3144 | |
| 267 | K | A | -5.0821 | |
| 268 | A | A | -4.3743 | |
| 269 | Q | A | -4.3263 | |
| 270 | E | A | -5.6654 | |
| 271 | E | A | -5.2613 | |
| 272 | H | A | -4.6152 | |
| 273 | R | A | -4.7062 | |
| 274 | T | A | -3.2686 | |
| 275 | V | A | -2.4665 | |
| 276 | E | A | -3.2499 | |
| 277 | V | A | -1.8727 | |
| 278 | E | A | -3.0623 | |
| 279 | K | A | -2.3372 | |
| 280 | V | A | -1.5093 | |
| 281 | H | A | -2.4644 | |
| 282 | L | A | -1.6301 | |
| 283 | E | A | -2.8458 | |
| 284 | K | A | -3.9883 | |
| 285 | K | A | -3.4799 | |
| 286 | L | A | -1.6453 | |
| 287 | R | A | -3.6859 | |
| 288 | D | A | -4.1143 | |
| 289 | E | A | -2.8296 | |
| 290 | I | A | -2.0894 | |
| 291 | N | A | -3.2767 | |
| 292 | L | A | -1.8115 | |
| 293 | A | A | -2.1117 | |
| 294 | K | A | -3.8934 | |
| 295 | Q | A | -3.9712 | |
| 296 | E | A | -3.5420 | |
| 297 | A | A | -3.2351 | |
| 298 | Q | A | -4.7510 | |
| 299 | R | A | -4.4382 | |
| 300 | L | A | -3.4775 | |
| 301 | K | A | -5.2456 | |
| 302 | E | A | -4.8386 | |
| 303 | L | A | -2.6979 | |
| 304 | R | A | -5.0143 | |
| 305 | E | A | -5.5078 | |
| 306 | G | A | -3.9083 | |
| 307 | T | A | -4.3169 | |
| 308 | E | A | -5.8695 | |
| 309 | N | A | -4.8136 | |
| 310 | E | A | -5.3041 | |
| 311 | R | A | -5.6600 | |
| 312 | S | A | -4.4332 | |
| 313 | R | A | -4.5040 | |
| 314 | Q | A | -4.4098 | |
| 315 | K | A | -4.5197 | |
| 316 | Y | A | -2.5364 | |
| 317 | A | A | -2.8691 | |
| 318 | E | A | -4.2056 | |
| 319 | E | A | -4.2029 | |
| 320 | E | A | -3.2642 | |
| 321 | L | A | -2.0740 | |
| 322 | E | A | -3.9772 | |
| 323 | Q | A | -3.4028 | |
| 324 | V | A | -1.6631 | |
| 325 | R | A | -3.2444 | |
| 326 | E | A | -3.5122 | |
| 327 | A | A | -1.9815 | |
| 328 | L | A | -1.6316 | |
| 329 | R | A | -3.8355 | |
| 330 | K | A | -3.8129 | |
| 331 | A | A | -2.6427 | |
| 332 | E | A | -3.4207 | |
| 333 | K | A | -4.1966 | |
| 334 | E | A | -3.6288 | |
| 335 | L | A | -1.8885 | |
| 336 | E | A | -3.1135 | |
| 337 | S | A | -2.2844 | |
| 338 | H | A | -1.9116 | |
| 339 | S | A | -1.1074 | |
| 340 | S | A | 0.0347 | |
| 341 | W | A | 1.4059 | |
| 342 | Y | A | 1.6525 | |
| 343 | A | A | 0.0000 | |
| 344 | P | A | -0.4786 | |
| 345 | E | A | -1.6448 | |
| 346 | A | A | -0.7048 | |
| 347 | L | A | -0.1459 | |
| 348 | Q | A | -1.0017 | |
| 349 | K | A | -0.7778 | |
| 350 | W | A | 0.4526 | |
| 351 | L | A | 0.3461 | |
| 352 | Q | A | -0.3332 | |
| 353 | L | A | 0.0000 | |
| 354 | T | A | 0.2196 | |
| 355 | H | A | 0.0000 | |
| 356 | E | A | -0.0312 | |
| 357 | V | A | 0.1919 | |
| 358 | E | A | 0.2142 | |
| 359 | V | A | 0.3802 | |
| 360 | Q | A | 0.0730 | |
| 361 | Y | A | 1.1226 | |
| 362 | Y | A | -0.0082 | |
| 363 | N | A | -0.9399 | |
| 364 | I | A | 0.2996 | |
| 365 | K | A | -1.3279 | |
| 366 | K | A | -2.2516 | |
| 367 | Q | A | -2.8483 | |
| 368 | N | A | -2.6833 | |
| 369 | A | A | 0.0000 | |
| 370 | E | A | -2.3608 | |
| 371 | R | A | -2.1242 | |
| 372 | Q | A | -1.3142 | |
| 373 | L | A | -0.7055 | |
| 374 | L | A | 0.3732 | |
| 375 | V | A | 0.6262 | |
| 376 | A | A | 0.0000 | |
| 377 | K | A | -1.9794 | |
| 378 | E | A | -2.5864 | |
| 379 | G | A | -2.1793 | |
| 380 | A | A | -2.6298 | |
| 381 | E | A | -4.0999 | |
| 382 | K | A | -4.3475 | |
| 383 | I | A | 0.0000 | |
| 384 | K | A | -4.7421 | |
| 385 | K | A | -4.7346 | |
| 386 | K | A | -3.9035 | |
| 387 | R | A | -3.6144 | |
| 388 | N | A | -2.7589 | |
| 389 | T | A | -0.6537 | |
| 390 | L | A | 1.9473 | |
| 391 | F | A | 2.3300 | |
| 392 | G | A | 0.0000 | |
| 393 | T | A | 0.3169 | |
| 394 | F | A | 1.6889 | |
| 395 | H | A | -0.4014 | |
| 396 | V | A | 0.0000 | |
| 397 | A | A | -0.2875 | |
| 398 | H | A | -1.0422 | |
| 399 | S | A | -0.9747 | |
| 400 | S | A | -1.3310 | |
| 401 | S | A | -1.6152 | |
| 402 | L | A | -1.7432 | |
| 403 | D | A | -3.0625 | |
| 404 | D | A | -2.6320 | |
| 405 | V | A | 0.0000 | |
| 406 | D | A | -2.1830 | |
| 407 | H | A | -2.2200 | |
| 408 | K | A | -1.4534 | |
| 409 | I | A | -0.6988 | |
| 410 | L | A | -0.1884 | |
| 411 | T | A | -0.7805 | |
| 412 | A | A | 0.0000 | |
| 413 | K | A | -1.8344 | |
| 414 | Q | A | -1.8233 | |
| 415 | A | A | -1.8039 | |
| 416 | L | A | -1.5553 | |
| 417 | S | A | -1.2880 | |
| 418 | E | A | -1.7277 | |
| 419 | V | A | 0.0000 | |
| 420 | T | A | -1.0232 | |
| 421 | A | A | -1.1725 | |
| 422 | A | A | -1.2056 | |
| 423 | L | A | -1.0607 | |
| 424 | R | A | -2.4980 | |
| 425 | E | A | -2.5887 | |
| 426 | R | A | 0.0000 | |
| 427 | L | A | -0.9800 | |
| 428 | H | A | -2.3751 | |
| 429 | R | A | -1.8921 | |
| 430 | W | A | 0.0000 | |
| 431 | Q | A | -1.2764 | |
| 432 | Q | A | -0.6139 | |
| 433 | I | A | 0.2950 | |
| 434 | E | A | 0.2405 | |
| 435 | I | A | 1.8110 | |
| 436 | L | A | 2.3744 | |
| 437 | C | A | 0.0000 | |
| 438 | G | A | 0.5849 | |
| 439 | F | A | -0.1964 | |
| 440 | Q | A | -1.3765 | |
| 441 | I | A | 0.0000 | |
| 442 | V | A | -0.1596 | |
| 443 | N | A | -1.3846 | |
| 444 | N | A | -1.1796 | |
| 445 | P | A | -0.8605 | |
| 446 | G | A | -0.6524 | |
| 447 | I | A | -0.4310 | |
| 448 | H | A | -0.9561 | |
| 449 | S | A | -0.6834 | |
| 450 | L | A | 0.0000 | |
| 451 | V | A | 0.0000 | |
| 452 | A | A | -0.7718 | |
| 453 | A | A | -0.3334 | |
| 454 | L | A | -0.5743 | |
| 455 | N | A | -1.4276 | |
| 456 | I | A | -1.0257 | |
| 457 | D | A | -1.7174 | |
| 458 | P | A | -1.0896 | |
| 459 | S | A | -0.4084 | |
| 460 | W | A | 0.4866 | |
| 461 | M | A | 0.0249 | |
| 462 | G | A | -0.4727 | |
| 463 | S | A | -0.8018 | |
| 464 | T | A | -1.4018 | |
| 465 | R | A | -2.4426 | |
| 466 | P | A | -1.8455 | |
| 467 | N | A | -2.0772 | |
| 468 | P | A | -1.3345 | |
| 469 | A | A | -0.4564 | |
| 470 | H | A | 0.2272 | |
| 471 | F | A | 2.7570 | |
| 472 | I | A | 3.1581 | |
| 473 | M | A | 2.1721 | |
| 474 | T | A | -0.0436 | |
| 475 | D | A | -1.8652 | |
| 476 | D | A | -2.3715 | |
| 477 | V | A | -0.7195 | |
| 478 | D | A | -2.2575 | |
| 479 | D | A | -2.4922 | |
| 480 | M | A | -1.7347 | |
| 481 | D | A | -3.2602 | |
| 482 | E | A | -3.0905 | |
| 483 | E | A | -1.7405 | |
| 484 | I | A | 1.6849 | |
| 485 | V | A | 2.3377 | |
| 486 | S | A | 1.2015 | |
| 487 | P | A | 0.6792 | |
| 488 | L | A | 1.4779 | |
| 489 | S | A | 0.8319 | |
| 490 | M | A | 0.5676 | |
| 491 | Q | A | -0.8476 | |
| 492 | S | A | -0.7905 | |
| 493 | P | A | -0.4385 | |
| 494 | S | A | 0.1325 | |
| 495 | L | A | 0.7834 | |
| 496 | Q | A | -0.6337 | |
| 497 | S | A | -0.2416 | |
| 498 | S | A | -0.0850 | |
| 499 | V | A | 0.4506 | |
| 500 | R | A | -1.8532 | |
| 501 | Q | A | -2.2974 | |
| 502 | R | A | -1.9841 | |
| 503 | L | A | 0.0667 | |
| 504 | T | A | -0.5739 | |
| 505 | E | A | -1.9454 | |
| 506 | P | A | -1.9173 | |
| 507 | Q | A | -2.2484 | |
| 508 | H | A | -1.5202 | |
| 509 | G | A | -0.5247 | |
| 510 | L | A | 0.8618 | |
| 511 | G | A | -0.1739 | |
| 512 | S | A | -1.4149 | |
| 513 | Q | A | -2.6773 | |
| 514 | R | A | -3.0215 | |
| 515 | D | A | -2.2589 | |
| 516 | L | A | 0.0494 | |
| 517 | T | A | -0.4087 | |
| 518 | H | A | -1.2455 | |
| 519 | S | A | -1.5189 | |
| 520 | D | A | -2.6135 | |
| 521 | S | A | -2.1780 | |
| 522 | E | A | -2.4520 | |
| 523 | S | A | -0.9059 | |
| 524 | S | A | -0.0839 | |
| 525 | L | A | 0.9087 | |
| 526 | H | A | -0.3835 | |
| 527 | T | A | -0.7856 | |
| 528 | S | A | -1.8759 | |
| 529 | D | A | -3.0590 | |
| 530 | R | A | -3.8232 | |
| 531 | Q | A | -3.1325 | |
| 532 | R | A | -1.8728 | |
| 533 | V | A | 0.5202 | |
| 534 | A | A | -0.0303 | |
| 535 | P | A | -0.9134 | |
| 536 | K | A | -1.9839 | |
| 537 | P | A | -1.4937 | |
| 538 | P | A | -1.1338 | |
| 539 | Q | A | -0.9813 | |
| 540 | M | A | -0.2402 | |
| 541 | G | A | -1.0219 | |
| 542 | R | A | -1.9848 | |
| 543 | A | A | -1.4844 | |
| 544 | A | A | -1.8070 | |
| 545 | D | A | -2.7990 | |
| 546 | E | A | -2.3086 | |
| 547 | A | A | -0.7522 | |
| 548 | L | A | 0.5738 | |
| 549 | N | A | -0.4735 | |
| 550 | A | A | -0.3093 | |
| 551 | T | A | -0.4542 | |
| 552 | S | A | -0.6239 | |
| 553 | S | A | -1.1051 | |
| 554 | N | A | -1.8072 | |
| 555 | G | A | -1.6535 | |
| 556 | S | A | -1.7502 | |
| 557 | H | A | -2.0219 | |
| 558 | R | A | -1.3255 | |
| 559 | L | A | 1.1233 | |
| 560 | I | A | 1.3411 | |
| 561 | E | A | -0.2128 | |
| 562 | G | A | -0.1153 | |
| 563 | V | A | 0.6319 | |
| 564 | H | A | -0.4975 | |
| 565 | P | A | -0.7064 | |
| 566 | G | A | -0.5575 | |
| 567 | S | A | 0.6836 | |
| 568 | L | A | 1.7666 | |
| 569 | V | A | 1.0929 | |
| 570 | E | A | -1.0596 | |
| 571 | K | A | -1.5028 | |
| 572 | L | A | -0.1037 | |
| 573 | P | A | -0.7654 | |
| 574 | D | A | -1.7660 | |
| 575 | S | A | -1.2252 | |
| 576 | P | A | -0.3816 | |
| 577 | A | A | 0.6569 | |
| 578 | L | A | 1.2339 | |
| 579 | A | A | -0.3173 | |
| 580 | K | A | -2.3182 | |
| 581 | K | A | -2.2757 | |
| 582 | T | A | 0.1060 | |
| 583 | I | A | 2.4848 | |
| 584 | L | A | 2.9389 | |
| 585 | A | A | 1.8133 | |
| 586 | L | A | 1.1200 | |
| 587 | N | A | -1.1369 | |
| 588 | H | A | -1.2706 | |
| 589 | G | A | -0.9767 | |
| 590 | L | A | -0.2546 | |
| 591 | D | A | -1.8035 | |
| 592 | K | A | -2.3708 | |
| 593 | A | A | -1.6173 | |
| 594 | H | A | -1.0413 | |
| 595 | S | A | 0.3493 | |
| 596 | L | A | 1.3103 | |
| 597 | M | A | 1.0349 | |
| 598 | E | A | -0.4214 | |
| 599 | L | A | 0.2370 | |
| 600 | N | A | -1.0844 | |
| 601 | P | A | -0.3817 | |
| 602 | S | A | 0.2005 | |
| 603 | V | A | 1.4500 | |
| 604 | P | A | 0.2610 | |
| 605 | P | A | -0.3648 | |
| 606 | G | A | -0.9205 | |
| 607 | G | A | -0.7477 | |
| 608 | S | A | -0.1383 | |
| 609 | P | A | 0.6474 | |
| 610 | L | A | 1.6582 | |
| 611 | L | A | 1.2849 | |
| 612 | D | A | -0.8477 | |
| 613 | S | A | -0.8878 | |
| 614 | S | A | -1.1154 | |
| 615 | H | A | -1.4584 | |
| 616 | S | A | -1.3422 | |
| 617 | H | A | -1.4594 | |
| 618 | S | A | -0.9201 | |
| 619 | P | A | -0.7315 | |
| 620 | S | A | -0.7325 | |
| 621 | S | A | -1.0040 | |
| 622 | P | A | -1.3599 | |
| 623 | D | A | -2.5328 | |
| 624 | P | A | -2.2594 | |
| 625 | D | A | -2.4007 | |
| 626 | T | A | -1.1417 | |
| 627 | P | A | -0.8122 | |
| 628 | S | A | -0.1397 | |
| 629 | P | A | 0.3020 | |
| 630 | V | A | 0.9550 | |
| 631 | G | A | -0.4029 | |
| 632 | D | A | -2.0861 | |
| 633 | S | A | -2.0751 | |
| 634 | R | A | -1.9371 | |
| 635 | A | A | -0.5158 | |
| 636 | L | A | 0.5030 | |
| 637 | Q | A | -0.6865 | |
| 638 | G | A | -1.2085 | |
| 639 | S | A | -1.8574 | |
| 640 | R | A | -2.7722 | |
| 641 | N | A | -2.7640 | |
| 642 | T | A | -1.6349 | |
| 643 | R | A | -1.2354 | |
| 644 | I | A | 0.7772 | |
| 645 | P | A | 0.1221 | |
| 646 | H | A | 0.0578 | |
| 647 | L | A | 0.9699 | |
| 648 | A | A | 0.1326 | |
| 649 | G | A | -1.4071 | |
| 650 | K | A | -2.7270 | |
| 651 | K | A | -2.3083 | |
| 652 | A | A | -0.6213 | |
| 653 | M | A | 0.3679 | |
| 654 | A | A | -0.5629 | |
| 655 | E | A | -2.8312 | |
| 656 | E | A | -3.9173 | |
| 657 | D | A | -3.8584 | |
| 658 | N | A | -2.7867 | |
| 659 | G | A | -1.3195 | |
| 660 | S | A | 0.1593 | |
| 661 | I | A | 1.1531 | |
| 662 | G | A | -0.6021 | |
| 663 | E | A | -2.6240 | |
| 664 | E | A | -3.3135 | |
| 665 | T | A | -2.2527 | |
| 666 | D | A | -2.3309 | |
| 667 | S | A | -1.2354 | |
| 668 | S | A | -0.9358 | |
| 669 | P | A | -1.0251 | |
| 670 | G | A | -1.9014 | |
| 671 | R | A | -3.3104 | |
| 672 | K | A | -3.1618 | |
| 673 | K | A | -2.0097 | |
| 674 | F | A | 0.9918 | |
| 675 | P | A | 0.8985 | |
| 676 | L | A | 1.4573 | |
| 677 | K | A | 0.5055 | |
| 678 | I | A | 2.0371 | |
| 679 | F | A | 1.3546 | |
| 680 | K | A | -1.2968 | |
| 681 | K | A | -1.9524 | |
| 682 | P | A | -1.3605 | |
| 683 | L | A | -0.2179 | |
| 684 | K | A | -1.9708 | |
| 685 | K | A | -2.3112 |
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 | -1.0835 | 6.8052 | View | CSV | PDB |
| 4.5 | -1.1892 | 6.8052 | View | CSV | PDB |
| 5.0 | -1.324 | 6.8052 | View | CSV | PDB |
| 5.5 | -1.4567 | 6.8052 | View | CSV | PDB |
| 6.0 | -1.5559 | 6.8211 | View | CSV | PDB |
| 6.5 | -1.6057 | 6.8578 | View | CSV | PDB |
| 7.0 | -1.6095 | 6.8846 | View | CSV | PDB |
| 7.5 | -1.5821 | 6.8978 | View | CSV | PDB |
| 8.0 | -1.5375 | 6.9028 | View | CSV | PDB |
| 8.5 | -1.4811 | 6.9045 | View | CSV | PDB |
| 9.0 | -1.4124 | 6.905 | 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