| Chain sequence(s) | MWLLALCLVGLAGAQRGGGGPGGGAPGGPGLGLGSLGEERFPVVNTAYGRVRGVRRELNNEILGPVVQFLGVPYATPPLGARRFQPPEAPASWPGVRNATTLPPACPQNLHGALPAIMLPVWFTDNLEAAATYVQNQSEDCLYLNLYVPTEDGPLTKKRDEATLNPPDTDIRDSGKKPVMLFLHGGSYMEGTGNMFDGSVLAAYGNVIVATLNYRLGVLGFLSTGDQAAKGNYGLLDQIQALRWLSENIAHFGGDPERITIFGSGAGASCVNLLILSHHSEGLFQKAIAQSGTAISSWSVNYQPLKYTRLLAAKVGCDREDSTEAVECLRRKSSRELVDQDVQPARYHIAFGPVVDGDVVPDDPEILMQQGEFLNYDMLIGVNQGEGLKFVEDSAESEDGVSASAFDFTVSNFVDNLYGYPEGKDVLRETIKFMYTDWADRDNGEMRRKTLLALFTDHQWVAPAVATAKLHADYQSPVYFYTFYHHCQAEGRPEWADAAHGDELPYVFGVPMVGATDLFPCNFSKNDVMLSAVVMTYWTNFAKTGDPNQPVPQDTKFIHTKPNRFEEVVWSKFNSKEKQYLHIGLKPRVRDNYRANKVAFWLELVPHLHNLHTELFTTTTRLPPYATRWPPRTPGPGTSGTRRPPPPATLPPESDIDLGPRAYDRFPGDSRDYSTELSVTVAVGASLLFLNILAFAALYYKRDRRQELRCRRLSPPGGSGSGVPGGGPLLPTAGRELPPEEELVSLQLKRGGGVGADPAEALRPACPPDYTLALRRAPDDVPLLAPGALTLLPSGLGPPPPPPPPSLHPFGPFPPPPPTATSHNNTLPHPHSTTRV 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 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 (00:11:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5b287682249cb2/tmp/folded.pdb (00:11:28)
[INFO] Main: Simulation completed successfully. (00:23:08)
|
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 | 1.9781 | |
| 2 | W | A | 2.8604 | |
| 3 | L | A | 3.1948 | |
| 4 | L | A | 2.9062 | |
| 5 | A | A | 2.0725 | |
| 6 | L | A | 2.6357 | |
| 7 | C | A | 2.5925 | |
| 8 | L | A | 3.1469 | |
| 9 | V | A | 2.7441 | |
| 10 | G | A | 1.7250 | |
| 11 | L | A | 1.7992 | |
| 12 | A | A | 0.5196 | |
| 13 | G | A | -0.3785 | |
| 14 | A | A | -1.2130 | |
| 15 | Q | A | -2.2293 | |
| 16 | R | A | -2.7292 | |
| 17 | G | A | -1.9480 | |
| 18 | G | A | -1.4770 | |
| 19 | G | A | -1.0998 | |
| 20 | G | A | -0.9975 | |
| 21 | P | A | -0.9042 | |
| 22 | G | A | -1.0460 | |
| 23 | G | A | -1.0040 | |
| 24 | G | A | -0.8617 | |
| 25 | A | A | -0.5555 | |
| 26 | P | A | -0.6949 | |
| 27 | G | A | -0.9604 | |
| 28 | G | A | -0.7889 | |
| 29 | P | A | -0.4811 | |
| 30 | G | A | 0.0645 | |
| 31 | L | A | 1.2507 | |
| 32 | G | A | 0.8810 | |
| 33 | L | A | 1.6499 | |
| 34 | G | A | -0.0746 | |
| 35 | S | A | -0.4636 | |
| 36 | L | A | 0.1344 | |
| 37 | G | A | -1.1339 | |
| 38 | E | A | -2.5911 | |
| 39 | E | A | -2.6392 | |
| 40 | R | A | -2.1300 | |
| 41 | F | A | -0.8833 | |
| 42 | P | A | -0.8839 | |
| 43 | V | A | -0.6914 | |
| 44 | V | A | -0.5917 | |
| 45 | N | A | -1.3677 | |
| 46 | T | A | 0.0000 | |
| 47 | A | A | -0.7571 | |
| 48 | Y | A | -0.3637 | |
| 49 | G | A | -1.0065 | |
| 50 | R | A | -1.9158 | |
| 51 | V | A | 0.0000 | |
| 52 | R | A | -1.2444 | |
| 53 | G | A | 0.0000 | |
| 54 | V | A | -0.9398 | |
| 55 | R | A | -1.9600 | |
| 56 | R | A | -2.5219 | |
| 57 | E | A | -3.0155 | |
| 58 | L | A | -1.9507 | |
| 59 | N | A | -2.1023 | |
| 60 | N | A | -1.7424 | |
| 61 | E | A | -2.2219 | |
| 62 | I | A | -0.4439 | |
| 63 | L | A | 0.0000 | |
| 64 | G | A | 0.0000 | |
| 65 | P | A | -2.1698 | |
| 66 | V | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | Q | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | G | A | -0.0362 | |
| 72 | V | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | Y | A | 0.0000 | |
| 75 | A | A | 0.0000 | |
| 76 | T | A | -0.6989 | |
| 77 | P | A | -0.5543 | |
| 78 | P | A | 0.0000 | |
| 79 | L | A | -0.0253 | |
| 80 | G | A | -0.9847 | |
| 81 | A | A | -0.8841 | |
| 82 | R | A | -1.2953 | |
| 83 | R | A | 0.0000 | |
| 84 | F | A | 0.0000 | |
| 85 | Q | A | -1.3151 | |
| 86 | P | A | -1.1320 | |
| 87 | P | A | -1.3112 | |
| 88 | E | A | -2.0698 | |
| 89 | A | A | -0.9858 | |
| 90 | P | A | 0.0000 | |
| 91 | A | A | -0.2669 | |
| 92 | S | A | -0.3351 | |
| 93 | W | A | 0.0000 | |
| 94 | P | A | -0.6791 | |
| 95 | G | A | -0.8372 | |
| 96 | V | A | -0.8299 | |
| 97 | R | A | -1.5237 | |
| 98 | N | A | -1.6844 | |
| 99 | A | A | 0.0000 | |
| 100 | T | A | -0.3433 | |
| 101 | T | A | 0.0626 | |
| 102 | L | A | 0.6219 | |
| 103 | P | A | 0.0000 | |
| 104 | P | A | -0.7108 | |
| 105 | A | A | 0.0000 | |
| 106 | C | A | 0.0000 | |
| 107 | P | A | 0.0000 | |
| 108 | Q | A | 0.0000 | |
| 109 | N | A | -1.2213 | |
| 110 | L | A | -0.8187 | |
| 111 | H | A | -1.1931 | |
| 112 | G | A | -1.3745 | |
| 113 | A | A | -0.7568 | |
| 114 | L | A | -0.1328 | |
| 115 | P | A | -0.3427 | |
| 116 | A | A | 0.0232 | |
| 117 | I | A | -0.0975 | |
| 118 | M | A | 0.1250 | |
| 119 | L | A | 0.0000 | |
| 120 | P | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | W | A | 0.0000 | |
| 123 | F | A | 0.0000 | |
| 124 | T | A | -0.6076 | |
| 125 | D | A | -1.5724 | |
| 126 | N | A | -1.3657 | |
| 127 | L | A | -0.9077 | |
| 128 | E | A | -1.9650 | |
| 129 | A | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | A | A | -0.9695 | |
| 132 | T | A | -0.9192 | |
| 133 | Y | A | -0.2126 | |
| 134 | V | A | 0.0000 | |
| 135 | Q | A | -1.7766 | |
| 136 | N | A | -1.9049 | |
| 137 | Q | A | -1.6575 | |
| 138 | S | A | -1.1030 | |
| 139 | E | A | -0.6950 | |
| 140 | D | A | -0.5512 | |
| 141 | C | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | Y | A | 0.1662 | |
| 144 | L | A | 0.0000 | |
| 145 | N | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | V | A | -0.1286 | |
| 149 | P | A | 0.0000 | |
| 150 | T | A | -1.6155 | |
| 151 | E | A | -3.3270 | |
| 152 | D | A | -3.2944 | |
| 153 | G | A | 0.0000 | |
| 154 | P | A | -1.8357 | |
| 155 | L | A | -1.3916 | |
| 156 | T | A | -2.6202 | |
| 157 | K | A | -4.1370 | |
| 158 | K | A | -4.6782 | |
| 159 | R | A | -4.4322 | |
| 160 | D | A | -4.2985 | |
| 161 | E | A | -3.1815 | |
| 162 | A | A | -1.3922 | |
| 163 | T | A | -0.7034 | |
| 164 | L | A | 0.5643 | |
| 165 | N | A | -0.9477 | |
| 166 | P | A | -1.1259 | |
| 167 | P | A | -1.8015 | |
| 168 | D | A | -2.1788 | |
| 169 | T | A | -1.1446 | |
| 170 | D | A | -1.1624 | |
| 171 | I | A | 0.3394 | |
| 172 | R | A | -1.4260 | |
| 173 | D | A | -1.9255 | |
| 174 | S | A | -1.6799 | |
| 175 | G | A | -1.7168 | |
| 176 | K | A | -2.7478 | |
| 177 | K | A | -1.8189 | |
| 178 | P | A | 0.0000 | |
| 179 | V | A | 0.0000 | |
| 180 | M | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | H | A | 0.0000 | |
| 185 | G | A | -0.0346 | |
| 186 | G | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | Y | A | 0.0000 | |
| 189 | M | A | 0.2309 | |
| 190 | E | A | 0.0000 | |
| 191 | G | A | 0.0000 | |
| 192 | T | A | 0.0000 | |
| 193 | G | A | 0.0000 | |
| 194 | N | A | 0.0000 | |
| 195 | M | A | 0.0000 | |
| 196 | F | A | 0.0000 | |
| 197 | D | A | -1.7894 | |
| 198 | G | A | 0.0000 | |
| 199 | S | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | Y | A | 0.1951 | |
| 205 | G | A | 0.0000 | |
| 206 | N | A | -0.2106 | |
| 207 | V | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | V | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | T | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | N | A | 0.0000 | |
| 214 | Y | A | 0.0000 | |
| 215 | R | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | L | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | F | A | 0.0000 | |
| 222 | L | A | 0.0000 | |
| 223 | S | A | 0.0000 | |
| 224 | T | A | 0.0000 | |
| 225 | G | A | -1.4243 | |
| 226 | D | A | -2.0586 | |
| 227 | Q | A | -2.0838 | |
| 228 | A | A | -1.8010 | |
| 229 | A | A | 0.0000 | |
| 230 | K | A | -1.7280 | |
| 231 | G | A | 0.0000 | |
| 232 | N | A | 0.0000 | |
| 233 | Y | A | 0.0000 | |
| 234 | G | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | D | A | 0.0000 | |
| 238 | Q | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | -1.4369 | |
| 244 | W | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -1.6748 | |
| 247 | E | A | -2.1612 | |
| 248 | N | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | A | A | -1.4428 | |
| 251 | H | A | -1.4668 | |
| 252 | F | A | 0.0000 | |
| 253 | G | A | -1.1861 | |
| 254 | G | A | 0.0000 | |
| 255 | D | A | -1.8551 | |
| 256 | P | A | -1.9701 | |
| 257 | E | A | -2.4441 | |
| 258 | R | A | -1.8311 | |
| 259 | I | A | 0.0000 | |
| 260 | T | A | 0.0000 | |
| 261 | I | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | G | A | -0.0451 | |
| 266 | A | A | -0.0025 | |
| 267 | G | A | 0.0000 | |
| 268 | A | A | 0.0000 | |
| 269 | S | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | N | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | S | A | 0.0000 | |
| 278 | H | A | -2.0084 | |
| 279 | H | A | -1.6095 | |
| 280 | S | A | 0.0000 | |
| 281 | E | A | -2.2478 | |
| 282 | G | A | -1.7328 | |
| 283 | L | A | -1.5092 | |
| 284 | F | A | 0.0000 | |
| 285 | Q | A | -1.2119 | |
| 286 | K | A | -0.6460 | |
| 287 | A | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | A | A | 0.0000 | |
| 290 | Q | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | G | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | I | A | 0.0665 | |
| 296 | S | A | 0.0000 | |
| 297 | S | A | -0.0754 | |
| 298 | W | A | 0.0000 | |
| 299 | S | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | N | A | 0.0000 | |
| 302 | Y | A | 0.6342 | |
| 303 | Q | A | -0.9878 | |
| 304 | P | A | -0.7420 | |
| 305 | L | A | -0.6540 | |
| 306 | K | A | -1.6407 | |
| 307 | Y | A | 0.0000 | |
| 308 | T | A | 0.0000 | |
| 309 | R | A | -1.3440 | |
| 310 | L | A | -0.7909 | |
| 311 | L | A | 0.0000 | |
| 312 | A | A | 0.0000 | |
| 313 | A | A | -1.2343 | |
| 314 | K | A | -1.7309 | |
| 315 | V | A | -1.1095 | |
| 316 | G | A | -1.3027 | |
| 317 | C | A | 0.0000 | |
| 318 | D | A | -3.2211 | |
| 319 | R | A | -3.5501 | |
| 320 | E | A | -3.7489 | |
| 321 | D | A | -3.7122 | |
| 322 | S | A | -2.7771 | |
| 323 | T | A | -2.3003 | |
| 324 | E | A | -3.3627 | |
| 325 | A | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | E | A | -1.9454 | |
| 328 | C | A | -1.8621 | |
| 329 | L | A | 0.0000 | |
| 330 | R | A | -1.7832 | |
| 331 | R | A | -2.3858 | |
| 332 | K | A | -2.1119 | |
| 333 | S | A | -1.8450 | |
| 334 | S | A | -1.7623 | |
| 335 | R | A | -2.8935 | |
| 336 | E | A | -2.5716 | |
| 337 | L | A | 0.0000 | |
| 338 | V | A | -1.7326 | |
| 339 | D | A | -2.5850 | |
| 340 | Q | A | -2.4853 | |
| 341 | D | A | -2.6614 | |
| 342 | V | A | 0.0000 | |
| 343 | Q | A | -1.9653 | |
| 344 | P | A | -1.7349 | |
| 345 | A | A | -1.3293 | |
| 346 | R | A | -2.3000 | |
| 347 | Y | A | 0.0000 | |
| 348 | H | A | -1.0480 | |
| 349 | I | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | F | A | 0.0000 | |
| 352 | G | A | 0.0000 | |
| 353 | P | A | 0.0000 | |
| 354 | V | A | 0.0000 | |
| 355 | V | A | -0.1973 | |
| 356 | D | A | -1.4296 | |
| 357 | G | A | -1.3302 | |
| 358 | D | A | -1.4314 | |
| 359 | V | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | P | A | -1.4068 | |
| 362 | D | A | -1.7141 | |
| 363 | D | A | -0.8225 | |
| 364 | P | A | 0.0000 | |
| 365 | E | A | -1.3974 | |
| 366 | I | A | -0.5616 | |
| 367 | L | A | 0.0000 | |
| 368 | M | A | 0.0000 | |
| 369 | Q | A | -2.0588 | |
| 370 | Q | A | -2.0806 | |
| 371 | G | A | -2.0439 | |
| 372 | E | A | -2.3203 | |
| 373 | F | A | -1.2357 | |
| 374 | L | A | -0.6057 | |
| 375 | N | A | -1.3093 | |
| 376 | Y | A | 0.0000 | |
| 377 | D | A | -0.7459 | |
| 378 | M | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | I | A | 0.0000 | |
| 381 | G | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | N | A | 0.0000 | |
| 384 | Q | A | -0.5262 | |
| 385 | G | A | 0.0000 | |
| 386 | E | A | 0.0000 | |
| 387 | G | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | K | A | -0.8128 | |
| 390 | F | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | E | A | -2.1909 | |
| 393 | D | A | -2.7197 | |
| 394 | S | A | -1.7841 | |
| 395 | A | A | 0.0000 | |
| 396 | E | A | -3.2204 | |
| 397 | S | A | -2.9534 | |
| 398 | E | A | -3.3578 | |
| 399 | D | A | -3.3244 | |
| 400 | G | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | -0.9488 | |
| 403 | A | A | -0.6386 | |
| 404 | S | A | -0.0518 | |
| 405 | A | A | 0.1759 | |
| 406 | F | A | 0.0000 | |
| 407 | D | A | -0.5504 | |
| 408 | F | A | 1.2266 | |
| 409 | T | A | 0.3662 | |
| 410 | V | A | 0.0000 | |
| 411 | S | A | -0.6011 | |
| 412 | N | A | -0.3988 | |
| 413 | F | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | D | A | -0.4877 | |
| 416 | N | A | -0.9692 | |
| 417 | L | A | -0.3201 | |
| 418 | Y | A | 0.0927 | |
| 419 | G | A | 0.0174 | |
| 420 | Y | A | 0.3308 | |
| 421 | P | A | -0.9324 | |
| 422 | E | A | -2.0039 | |
| 423 | G | A | -1.2385 | |
| 424 | K | A | -1.5790 | |
| 425 | D | A | -2.3315 | |
| 426 | V | A | -1.0385 | |
| 427 | L | A | 0.0000 | |
| 428 | R | A | -1.5054 | |
| 429 | E | A | -1.8034 | |
| 430 | T | A | -0.2340 | |
| 431 | I | A | 0.0000 | |
| 432 | K | A | -0.0398 | |
| 433 | F | A | 1.5541 | |
| 434 | M | A | 0.8130 | |
| 435 | Y | A | 0.0000 | |
| 436 | T | A | 0.1017 | |
| 437 | D | A | -0.7650 | |
| 438 | W | A | 0.1154 | |
| 439 | A | A | -0.5370 | |
| 440 | D | A | -2.3699 | |
| 441 | R | A | -2.4584 | |
| 442 | D | A | -2.9898 | |
| 443 | N | A | -2.7435 | |
| 444 | G | A | 0.0000 | |
| 445 | E | A | -2.4434 | |
| 446 | M | A | -1.7990 | |
| 447 | R | A | -1.5419 | |
| 448 | R | A | 0.0000 | |
| 449 | K | A | -1.0281 | |
| 450 | T | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | A | A | -0.2916 | |
| 454 | L | A | 0.0000 | |
| 455 | F | A | 0.0000 | |
| 456 | T | A | 0.0000 | |
| 457 | D | A | 0.0000 | |
| 458 | H | A | -0.1302 | |
| 459 | Q | A | 0.0000 | |
| 460 | W | A | 0.0000 | |
| 461 | V | A | 0.0000 | |
| 462 | A | A | 0.0000 | |
| 463 | P | A | 0.0000 | |
| 464 | A | A | 0.0000 | |
| 465 | V | A | 0.0000 | |
| 466 | A | A | 0.0000 | |
| 467 | T | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | K | A | -1.5708 | |
| 470 | L | A | 0.0000 | |
| 471 | H | A | 0.0000 | |
| 472 | A | A | -2.1125 | |
| 473 | D | A | -2.5726 | |
| 474 | Y | A | -1.7084 | |
| 475 | Q | A | -1.9922 | |
| 476 | S | A | 0.0000 | |
| 477 | P | A | -1.2713 | |
| 478 | V | A | 0.0000 | |
| 479 | Y | A | 0.0000 | |
| 480 | F | A | 0.0000 | |
| 481 | Y | A | 0.0000 | |
| 482 | T | A | 0.0000 | |
| 483 | F | A | 0.0000 | |
| 484 | Y | A | -0.3016 | |
| 485 | H | A | -0.5633 | |
| 486 | H | A | -0.6475 | |
| 487 | C | A | -1.1645 | |
| 488 | Q | A | -2.3742 | |
| 489 | A | A | -2.1756 | |
| 490 | E | A | -2.8061 | |
| 491 | G | A | -1.9313 | |
| 492 | R | A | 0.0000 | |
| 493 | P | A | -1.8386 | |
| 494 | E | A | -2.3435 | |
| 495 | W | A | -1.0912 | |
| 496 | A | A | 0.0000 | |
| 497 | D | A | -1.5763 | |
| 498 | A | A | 0.0000 | |
| 499 | A | A | 0.0000 | |
| 500 | H | A | 0.0000 | |
| 501 | G | A | 0.0000 | |
| 502 | D | A | 0.0000 | |
| 503 | E | A | 0.0000 | |
| 504 | L | A | 0.0000 | |
| 505 | P | A | 0.0000 | |
| 506 | Y | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | G | A | 0.0000 | |
| 510 | V | A | 0.0000 | |
| 511 | P | A | 0.0000 | |
| 512 | M | A | 0.0000 | |
| 513 | V | A | -0.2246 | |
| 514 | G | A | -0.3200 | |
| 515 | A | A | -0.6256 | |
| 516 | T | A | -1.0070 | |
| 517 | D | A | -2.0903 | |
| 518 | L | A | 0.0000 | |
| 519 | F | A | 0.0000 | |
| 520 | P | A | -1.3586 | |
| 521 | C | A | 0.0000 | |
| 522 | N | A | -1.8401 | |
| 523 | F | A | -0.9730 | |
| 524 | S | A | -1.3188 | |
| 525 | K | A | -2.1384 | |
| 526 | N | A | -1.3014 | |
| 527 | D | A | 0.0000 | |
| 528 | V | A | -0.5821 | |
| 529 | M | A | 0.0000 | |
| 530 | L | A | 0.0000 | |
| 531 | S | A | 0.0000 | |
| 532 | A | A | 0.0000 | |
| 533 | V | A | 0.0000 | |
| 534 | V | A | 0.0000 | |
| 535 | M | A | 0.0000 | |
| 536 | T | A | 0.0000 | |
| 537 | Y | A | 0.0000 | |
| 538 | W | A | 0.0000 | |
| 539 | T | A | 0.0000 | |
| 540 | N | A | 0.0000 | |
| 541 | F | A | 0.0000 | |
| 542 | A | A | 0.0000 | |
| 543 | K | A | -0.4443 | |
| 544 | T | A | -0.7081 | |
| 545 | G | A | 0.0000 | |
| 546 | D | A | -1.0217 | |
| 547 | P | A | 0.0000 | |
| 548 | N | A | -0.4506 | |
| 549 | Q | A | -1.3046 | |
| 550 | P | A | -0.5831 | |
| 551 | V | A | -0.4978 | |
| 552 | P | A | -1.3274 | |
| 553 | Q | A | 0.0000 | |
| 554 | D | A | -2.8550 | |
| 555 | T | A | -1.7748 | |
| 556 | K | A | -0.8163 | |
| 557 | F | A | 1.0984 | |
| 558 | I | A | 0.0000 | |
| 559 | H | A | 0.0000 | |
| 560 | T | A | -0.5982 | |
| 561 | K | A | -1.3937 | |
| 562 | P | A | -1.5937 | |
| 563 | N | A | 0.0000 | |
| 564 | R | A | -2.5555 | |
| 565 | F | A | 0.0000 | |
| 566 | E | A | -3.3020 | |
| 567 | E | A | -2.7056 | |
| 568 | V | A | -0.7387 | |
| 569 | V | A | 0.7913 | |
| 570 | W | A | 0.0000 | |
| 571 | S | A | -0.5990 | |
| 572 | K | A | -1.7415 | |
| 573 | F | A | 0.0000 | |
| 574 | N | A | -2.4812 | |
| 575 | S | A | -2.2284 | |
| 576 | K | A | -3.0136 | |
| 577 | E | A | -3.0875 | |
| 578 | K | A | -2.9674 | |
| 579 | Q | A | -2.7312 | |
| 580 | Y | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | H | A | 0.0000 | |
| 583 | I | A | 0.0000 | |
| 584 | G | A | 0.0000 | |
| 585 | L | A | -0.7530 | |
| 586 | K | A | -1.7817 | |
| 587 | P | A | -1.7078 | |
| 588 | R | A | -1.3481 | |
| 589 | V | A | -0.7865 | |
| 590 | R | A | -2.7941 | |
| 591 | D | A | -3.4100 | |
| 592 | N | A | -2.6569 | |
| 593 | Y | A | 0.0000 | |
| 594 | R | A | -1.6004 | |
| 595 | A | A | -1.3865 | |
| 596 | N | A | -1.5863 | |
| 597 | K | A | -1.1145 | |
| 598 | V | A | 0.0000 | |
| 599 | A | A | -0.8831 | |
| 600 | F | A | 0.0000 | |
| 601 | W | A | 0.0000 | |
| 602 | L | A | -0.4489 | |
| 603 | E | A | -1.6527 | |
| 604 | L | A | -0.7671 | |
| 605 | V | A | 0.0000 | |
| 606 | P | A | -1.2338 | |
| 607 | H | A | -1.6873 | |
| 608 | L | A | 0.0000 | |
| 609 | H | A | -1.2368 | |
| 610 | N | A | -1.8640 | |
| 611 | L | A | -0.4866 | |
| 612 | H | A | -0.6637 | |
| 613 | T | A | -0.5724 | |
| 614 | E | A | -0.7933 | |
| 615 | L | A | 1.4205 | |
| 616 | F | A | 2.0513 | |
| 617 | T | A | 0.6205 | |
| 618 | T | A | 0.1510 | |
| 619 | T | A | -0.2439 | |
| 620 | T | A | -0.5984 | |
| 621 | R | A | -1.2563 | |
| 622 | L | A | 0.6362 | |
| 623 | P | A | 0.2584 | |
| 624 | P | A | 0.3928 | |
| 625 | Y | A | 1.1623 | |
| 626 | A | A | 0.1995 | |
| 627 | T | A | -0.3542 | |
| 628 | R | A | -1.2142 | |
| 629 | W | A | -0.1070 | |
| 630 | P | A | -0.7024 | |
| 631 | P | A | -1.2670 | |
| 632 | R | A | -2.0236 | |
| 633 | T | A | -1.2496 | |
| 634 | P | A | -1.0050 | |
| 635 | G | A | -1.0041 | |
| 636 | P | A | -0.7753 | |
| 637 | G | A | -0.7695 | |
| 638 | T | A | -0.5811 | |
| 639 | S | A | -0.5974 | |
| 640 | G | A | -1.0285 | |
| 641 | T | A | -1.6518 | |
| 642 | R | A | -2.9671 | |
| 643 | R | A | -2.9577 | |
| 644 | P | A | -1.7314 | |
| 645 | P | A | -0.9227 | |
| 646 | P | A | -0.5400 | |
| 647 | P | A | -0.4186 | |
| 648 | A | A | 0.1830 | |
| 649 | T | A | 0.6354 | |
| 650 | L | A | 1.3185 | |
| 651 | P | A | 0.1555 | |
| 652 | P | A | -1.1385 | |
| 653 | E | A | -2.4991 | |
| 654 | S | A | -1.6829 | |
| 655 | D | A | -1.5969 | |
| 656 | I | A | 0.5842 | |
| 657 | D | A | -0.5974 | |
| 658 | L | A | 0.4528 | |
| 659 | G | A | -0.3248 | |
| 660 | P | A | -0.8609 | |
| 661 | R | A | -1.6209 | |
| 662 | A | A | -1.0850 | |
| 663 | Y | A | -0.3616 | |
| 664 | D | A | -1.9143 | |
| 665 | R | A | -1.5321 | |
| 666 | F | A | 0.2310 | |
| 667 | P | A | -0.6336 | |
| 668 | G | A | -1.7016 | |
| 669 | D | A | -2.6040 | |
| 670 | S | A | -2.0693 | |
| 671 | R | A | -3.2862 | |
| 672 | D | A | -2.9782 | |
| 673 | Y | A | -0.8647 | |
| 674 | S | A | -0.8301 | |
| 675 | T | A | -0.6755 | |
| 676 | E | A | -0.9362 | |
| 677 | L | A | 0.9746 | |
| 678 | S | A | 1.3193 | |
| 679 | V | A | 2.2518 | |
| 680 | T | A | 1.7003 | |
| 681 | V | A | 2.6465 | |
| 682 | A | A | 2.2461 | |
| 683 | V | A | 3.0293 | |
| 684 | G | A | 2.4105 | |
| 685 | A | A | 2.4444 | |
| 686 | S | A | 2.7421 | |
| 687 | L | A | 3.6927 | |
| 688 | L | A | 3.6433 | |
| 689 | F | A | 4.4998 | |
| 690 | L | A | 3.9887 | |
| 691 | N | A | 2.8072 | |
| 692 | I | A | 4.0112 | |
| 693 | L | A | 3.6879 | |
| 694 | A | A | 2.7512 | |
| 695 | F | A | 2.9609 | |
| 696 | A | A | 2.1705 | |
| 697 | A | A | 1.3353 | |
| 698 | L | A | 1.2989 | |
| 699 | Y | A | 0.7638 | |
| 700 | Y | A | -0.3793 | |
| 701 | K | A | -2.7127 | |
| 702 | R | A | -3.9730 | |
| 703 | D | A | -4.6211 | |
| 704 | R | A | -4.9849 | |
| 705 | R | A | -5.4598 | |
| 706 | Q | A | -5.1191 | |
| 707 | E | A | -4.8029 | |
| 708 | L | A | -3.6579 | |
| 709 | R | A | -3.9374 | |
| 710 | C | A | -2.2844 | |
| 711 | R | A | -3.1417 | |
| 712 | R | A | -2.5327 | |
| 713 | L | A | -0.1987 | |
| 714 | S | A | -0.7450 | |
| 715 | P | A | -0.7823 | |
| 716 | P | A | -0.6554 | |
| 717 | G | A | -1.0074 | |
| 718 | G | A | -1.0026 | |
| 719 | S | A | -0.8492 | |
| 720 | G | A | -0.9223 | |
| 721 | S | A | -0.3394 | |
| 722 | G | A | 0.1373 | |
| 723 | V | A | 1.2898 | |
| 724 | P | A | 0.1285 | |
| 725 | G | A | -0.5689 | |
| 726 | G | A | -1.0290 | |
| 727 | G | A | -0.6276 | |
| 728 | P | A | 0.4338 | |
| 729 | L | A | 2.0374 | |
| 730 | L | A | 2.1210 | |
| 731 | P | A | 0.7971 | |
| 732 | T | A | 0.0395 | |
| 733 | A | A | -0.6483 | |
| 734 | G | A | -1.8301 | |
| 735 | R | A | -2.7230 | |
| 736 | E | A | -2.2267 | |
| 737 | L | A | 0.1288 | |
| 738 | P | A | -0.3787 | |
| 739 | P | A | -1.2857 | |
| 740 | E | A | -3.3231 | |
| 741 | E | A | -3.4036 | |
| 742 | E | A | -1.9388 | |
| 743 | L | A | 1.1280 | |
| 744 | V | A | 2.3401 | |
| 745 | S | A | 1.5124 | |
| 746 | L | A | 1.5187 | |
| 747 | Q | A | -0.0658 | |
| 748 | L | A | -0.0091 | |
| 749 | K | A | -2.2014 | |
| 750 | R | A | -2.6423 | |
| 751 | G | A | -2.0468 | |
| 752 | G | A | -0.9763 | |
| 753 | G | A | 0.0498 | |
| 754 | V | A | 1.2135 | |
| 755 | G | A | -0.0695 | |
| 756 | A | A | -0.7000 | |
| 757 | D | A | -1.9684 | |
| 758 | P | A | -1.4376 | |
| 759 | A | A | -1.3194 | |
| 760 | E | A | -1.4802 | |
| 761 | A | A | -0.5370 | |
| 762 | L | A | 0.2155 | |
| 763 | R | A | -1.0918 | |
| 764 | P | A | -0.6202 | |
| 765 | A | A | -0.1039 | |
| 766 | C | A | 0.1008 | |
| 767 | P | A | -0.2824 | |
| 768 | P | A | -0.7485 | |
| 769 | D | A | -0.9595 | |
| 770 | Y | A | 0.8801 | |
| 771 | T | A | 1.2164 | |
| 772 | L | A | 2.0221 | |
| 773 | A | A | 0.9713 | |
| 774 | L | A | 0.7212 | |
| 775 | R | A | -1.5918 | |
| 776 | R | A | -2.0800 | |
| 777 | A | A | -1.5937 | |
| 778 | P | A | -1.0421 | |
| 779 | D | A | -1.3943 | |
| 780 | D | A | -1.3155 | |
| 781 | V | A | 0.9475 | |
| 782 | P | A | 1.0928 | |
| 783 | L | A | 2.3161 | |
| 784 | L | A | 2.3546 | |
| 785 | A | A | 0.8901 | |
| 786 | P | A | 0.4841 | |
| 787 | G | A | 0.1062 | |
| 788 | A | A | 0.9434 | |
| 789 | L | A | 2.0093 | |
| 790 | T | A | 1.7762 | |
| 791 | L | A | 2.6220 | |
| 792 | L | A | 2.2380 | |
| 793 | P | A | 0.8509 | |
| 794 | S | A | 0.2951 | |
| 795 | G | A | 0.1946 | |
| 796 | L | A | 0.9408 | |
| 797 | G | A | -0.0153 | |
| 798 | P | A | -0.3747 | |
| 799 | P | A | -0.5241 | |
| 800 | P | A | -0.6899 | |
| 801 | P | A | -0.6710 | |
| 802 | P | A | -0.6635 | |
| 803 | P | A | -0.6686 | |
| 804 | P | A | -0.4509 | |
| 805 | P | A | -0.2998 | |
| 806 | S | A | 0.0496 | |
| 807 | L | A | 1.0205 | |
| 808 | H | A | -0.0587 | |
| 809 | P | A | 0.4699 | |
| 810 | F | A | 1.4963 | |
| 811 | G | A | 0.6755 | |
| 812 | P | A | 0.8740 | |
| 813 | F | A | 1.5584 | |
| 814 | P | A | 0.4652 | |
| 815 | P | A | -0.2092 | |
| 816 | P | A | -0.6268 | |
| 817 | P | A | -0.5814 | |
| 818 | P | A | -0.4537 | |
| 819 | T | A | -0.2240 | |
| 820 | A | A | -0.1045 | |
| 821 | T | A | -0.3638 | |
| 822 | S | A | -0.9817 | |
| 823 | H | A | -2.0147 | |
| 824 | N | A | -2.4681 | |
| 825 | N | A | -1.8034 | |
| 826 | T | A | -0.3787 | |
| 827 | L | A | 0.8780 | |
| 828 | P | A | 0.0757 | |
| 829 | H | A | -1.1130 | |
| 830 | P | A | -1.3672 | |
| 831 | H | A | -1.4433 | |
| 832 | S | A | -0.8562 | |
| 833 | T | A | -0.7734 | |
| 834 | T | A | -0.6307 | |
| 835 | R | A | -0.9124 | |
| 836 | V | A | 0.7380 |
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 | -0.0222 | 7.7302 | View | CSV | PDB |
| 4.5 | -0.0956 | 7.7302 | View | CSV | PDB |
| 5.0 | -0.187 | 7.7302 | View | CSV | PDB |
| 5.5 | -0.2828 | 7.7302 | View | CSV | PDB |
| 6.0 | -0.3698 | 7.7302 | View | CSV | PDB |
| 6.5 | -0.4384 | 7.7302 | View | CSV | PDB |
| 7.0 | -0.4859 | 7.7302 | View | CSV | PDB |
| 7.5 | -0.5177 | 7.7302 | View | CSV | PDB |
| 8.0 | -0.5398 | 7.7302 | View | CSV | PDB |
| 8.5 | -0.5531 | 7.7302 | View | CSV | PDB |
| 9.0 | -0.5555 | 7.7302 | 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