| Chain sequence(s) |
A: MTNKFTNQYSLSKTLRFELIPQGKTLEFIQEKGLLSQDKQRAESYQEMKKTIDKFHKYFIDLALSNAKLTHLETYLELYNKSAETKKEQKFKDDLKKVQDNLRKEIVKSFSDGDAKSIFAILDKKELITVELEKWFENNEQKDIYFDEKFKTFTTYFTGFHQNRKNMYSVEPNSTAIAYRLIHENLPKFLENAKAFEKIKQVESLQVNFRELMGEFGDEGLIFVNELEEMFQINYYNDVLSQNGITIYNSIISGFTKNDIKYKGLNEYINNYNQTKDKKDRLPKLKQLYKQILSDRISLSFLPDAFTDGKQVLKAIFDFYKINLLSYTIEGQEESQNLLLLIRQTIENLSSFDTQKIYLKNDTHLTTISQQVFGDFSVFSTALNYWYETKVNPKFETEYSKANEKKREILDKAKAVFTKQDYFSIAFLQEVLSEYILTLDHTSDIVKKHSSNCIADYFKNHFVAKKENETDKTFDFIANITAKYQCIQGILENADQYEDELKQDQKLIDNLKFFLDAILELLHFIKPLHLKSESITEKDTAFYDVFENYYEALSLLTPLYNMVRNYVTQKPYSTEKIKLNFENAQLLNGWDANKEGDYLTTILKKDGNYFLAIMDKKHNKAFQKFPEGKENYEKMVYKLLPGVNKMLPKVFFSNKNIAYFNPSKELLENYKKETHKKGDTFNLEHCHTLIDFFKDSLNKHEDWKYFDFQFSETKSYQDLSGFYREVEHQGYKINFKNIDSEYIDGLVNEGKLFLFQIYSKDFSPFSKGKPNMHTLYWKALFEEQNLQNVIYKLNGQAEIFFRKASIKPKNIILHKKKIKIAKKHFIDKKTKTSEIVPVQTIKNLNMYYQGKISEKELTQDDLRYIDNFSIFNEKNKTIDIIKDKRFTVDKFQFHVPITMNFKATGGSYINQTVLEYLQNNPEVKIIGLDRGERHLVYLTLIDQQGNILKQESLNTITDSKISTPYHKLLDNKENERDLARKNWGTVENIKELKEGYISQVVHKIATLMLEENAIVVMEDLNFGFKRGRFKVEKQIYQKLEKMLIDKLNYLVLKDKQPQELGGLYNALQLTNKFESFQKMGKQSGFLFYVPAWNTSKIDPTTGFVNYFYTKYENVDKAKAFFEKFEAIRFNAEKKYFEFEVKKYSDFNPKAEGTQQAWTICTYGERIETKRQKDQNNKFVSTPINLTEKIEDFLGKNQIVYGDGNCIKSQIASKDDKAFFETLLYWFKMTLQMRNSETRTDIDYLISPVMNDNGTFYNSRDYEKLENPTLPKDADANGAYHIAKKGLMLLNKIDQADLTKKVDLSISNRDWLQFVQKNK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | FR1022A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.0874317 kcal/mol |
| 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 globular. Max score is recommended for pH analysis. (00:00:15)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] FoldX: Building mutant model (00:22:29)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:23:29)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2a70795609a704b/tmp/folded.pdb (00:23:29)
[INFO] Main: Simulation completed successfully. (00:49:02)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | -0.6987 | |
| 2 | T | A | -0.9099 | |
| 3 | N | A | -2.1181 | |
| 4 | K | A | -1.9872 | |
| 5 | F | A | 0.0000 | |
| 6 | T | A | 0.0000 | |
| 7 | N | A | -1.4575 | |
| 8 | Q | A | -1.1486 | |
| 9 | Y | A | 0.0000 | |
| 10 | S | A | -0.4143 | |
| 11 | L | A | -0.3526 | |
| 12 | S | A | -0.6079 | |
| 13 | K | A | -1.2474 | |
| 14 | T | A | -1.0675 | |
| 15 | L | A | 0.0000 | |
| 16 | R | A | -2.2241 | |
| 17 | F | A | 0.0000 | |
| 18 | E | A | -0.7462 | |
| 19 | L | A | 0.0000 | |
| 20 | I | A | 0.5454 | |
| 21 | P | A | -0.1130 | |
| 22 | Q | A | -0.8361 | |
| 23 | G | A | -1.4385 | |
| 24 | K | A | -2.0705 | |
| 25 | T | A | 0.0000 | |
| 26 | L | A | -0.8700 | |
| 27 | E | A | -2.7372 | |
| 28 | F | A | -2.2989 | |
| 29 | I | A | 0.0000 | |
| 30 | Q | A | -2.5842 | |
| 31 | E | A | -2.9717 | |
| 32 | K | A | -2.0543 | |
| 33 | G | A | -1.7888 | |
| 34 | L | A | 0.0000 | |
| 35 | L | A | -1.1090 | |
| 36 | S | A | -1.3482 | |
| 37 | Q | A | -1.6781 | |
| 38 | D | A | 0.0000 | |
| 39 | K | A | -2.5609 | |
| 40 | Q | A | -2.5103 | |
| 41 | R | A | -2.2370 | |
| 42 | A | A | -2.1758 | |
| 43 | E | A | -2.9499 | |
| 44 | S | A | 0.0000 | |
| 45 | Y | A | -1.7036 | |
| 46 | Q | A | -2.2306 | |
| 47 | E | A | -2.1974 | |
| 48 | M | A | 0.0000 | |
| 49 | K | A | -1.8111 | |
| 50 | K | A | -2.5554 | |
| 51 | T | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | D | A | -1.5982 | |
| 54 | K | A | -1.7917 | |
| 55 | F | A | 0.0000 | |
| 56 | H | A | 0.0000 | |
| 57 | K | A | -0.7671 | |
| 58 | Y | A | -0.1177 | |
| 59 | F | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | D | A | -0.8477 | |
| 62 | L | A | -0.5398 | |
| 63 | A | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | S | A | -1.7475 | |
| 66 | N | A | -2.3294 | |
| 67 | A | A | -2.2851 | |
| 68 | K | A | -2.5930 | |
| 69 | L | A | 0.0000 | |
| 70 | T | A | -1.2766 | |
| 71 | H | A | -1.1906 | |
| 72 | L | A | 0.0000 | |
| 73 | E | A | -2.3701 | |
| 74 | T | A | -1.5325 | |
| 75 | Y | A | 0.0000 | |
| 76 | L | A | -1.4623 | |
| 77 | E | A | -2.5078 | |
| 78 | L | A | -1.7967 | |
| 79 | Y | A | -1.2682 | |
| 80 | N | A | -2.0258 | |
| 81 | K | A | -2.0156 | |
| 82 | S | A | -1.6627 | |
| 83 | A | A | -1.8422 | |
| 84 | E | A | -2.8220 | |
| 85 | T | A | -2.8411 | |
| 86 | K | A | -3.1784 | |
| 87 | K | A | -3.6959 | |
| 88 | E | A | -3.7393 | |
| 89 | Q | A | -4.0262 | |
| 90 | K | A | -4.4331 | |
| 91 | F | A | 0.0000 | |
| 92 | K | A | -5.0566 | |
| 93 | D | A | -5.1318 | |
| 94 | D | A | -4.2931 | |
| 95 | L | A | -3.4875 | |
| 96 | K | A | -4.1618 | |
| 97 | K | A | -3.8375 | |
| 98 | V | A | -2.4780 | |
| 99 | Q | A | -2.2121 | |
| 100 | D | A | -2.5958 | |
| 101 | N | A | -2.2305 | |
| 102 | L | A | 0.0000 | |
| 103 | R | A | 0.0000 | |
| 104 | K | A | -2.7136 | |
| 105 | E | A | -2.1876 | |
| 106 | I | A | 0.0000 | |
| 107 | V | A | -1.5984 | |
| 108 | K | A | -2.7425 | |
| 109 | S | A | -2.6552 | |
| 110 | F | A | 0.0000 | |
| 111 | S | A | -2.4764 | |
| 112 | D | A | -3.4875 | |
| 113 | G | A | -2.8290 | |
| 114 | D | A | -2.8988 | |
| 115 | A | A | 0.0000 | |
| 116 | K | A | -3.0873 | |
| 117 | S | A | -1.5093 | |
| 118 | I | A | -0.6780 | |
| 119 | F | A | -0.8582 | |
| 120 | A | A | -0.4593 | |
| 121 | I | A | -0.8874 | |
| 122 | L | A | 0.0000 | |
| 123 | D | A | -2.1698 | |
| 124 | K | A | -2.5592 | |
| 125 | K | A | -2.6858 | |
| 126 | E | A | -1.5809 | |
| 127 | L | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | T | A | -1.3809 | |
| 130 | V | A | -0.1674 | |
| 131 | E | A | -0.7110 | |
| 132 | L | A | 0.0000 | |
| 133 | E | A | -2.0127 | |
| 134 | K | A | -2.5570 | |
| 135 | W | A | 0.0000 | |
| 136 | F | A | -3.3117 | |
| 137 | E | A | -4.1728 | |
| 138 | N | A | -3.4454 | |
| 139 | N | A | -3.1163 | |
| 140 | E | A | -4.0334 | |
| 141 | Q | A | -3.7279 | |
| 142 | K | A | -3.6862 | |
| 143 | D | A | -2.7878 | |
| 144 | I | A | -1.6803 | |
| 145 | Y | A | -0.5020 | |
| 146 | F | A | -0.7329 | |
| 147 | D | A | 0.0000 | |
| 148 | E | A | -2.9027 | |
| 149 | K | A | -2.8367 | |
| 150 | F | A | 0.0000 | |
| 151 | K | A | -2.1483 | |
| 152 | T | A | -1.4511 | |
| 153 | F | A | 0.0000 | |
| 154 | T | A | -1.2537 | |
| 155 | T | A | -0.7433 | |
| 156 | Y | A | -0.0107 | |
| 157 | F | A | 0.0000 | |
| 158 | T | A | -1.2823 | |
| 159 | G | A | -1.3015 | |
| 160 | F | A | -1.1630 | |
| 161 | H | A | 0.0000 | |
| 162 | Q | A | -2.6632 | |
| 163 | N | A | -2.4960 | |
| 164 | R | A | -1.9167 | |
| 165 | K | A | -2.0638 | |
| 166 | N | A | -2.0860 | |
| 167 | M | A | 0.0000 | |
| 168 | Y | A | 0.0000 | |
| 169 | S | A | -1.1648 | |
| 170 | V | A | -1.5252 | |
| 171 | E | A | -2.3760 | |
| 172 | P | A | -1.7766 | |
| 173 | N | A | -1.9005 | |
| 174 | S | A | -1.1818 | |
| 175 | T | A | -0.9981 | |
| 176 | A | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | Y | A | -0.7738 | |
| 180 | R | A | -0.5475 | |
| 181 | L | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | H | A | -0.6255 | |
| 184 | E | A | -0.5227 | |
| 185 | N | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | P | A | -0.4712 | |
| 188 | K | A | -1.0364 | |
| 189 | F | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | E | A | -1.4257 | |
| 192 | N | A | 0.0000 | |
| 193 | A | A | -1.6592 | |
| 194 | K | A | -2.0337 | |
| 195 | A | A | -1.7982 | |
| 196 | F | A | 0.0000 | |
| 197 | E | A | -2.9992 | |
| 198 | K | A | -2.7931 | |
| 199 | I | A | 0.0000 | |
| 200 | K | A | -2.6217 | |
| 201 | Q | A | -2.6667 | |
| 202 | V | A | -1.9364 | |
| 203 | E | A | -2.0666 | |
| 204 | S | A | -0.9062 | |
| 205 | L | A | 0.0000 | |
| 206 | Q | A | -1.0779 | |
| 207 | V | A | 0.1435 | |
| 208 | N | A | -0.9912 | |
| 209 | F | A | 0.0000 | |
| 210 | R | A | -2.5465 | |
| 211 | E | A | -2.7131 | |
| 212 | L | A | 0.0000 | |
| 213 | M | A | -1.9277 | |
| 214 | G | A | -2.7357 | |
| 215 | E | A | -3.2789 | |
| 216 | F | A | 0.0000 | |
| 217 | G | A | -1.8107 | |
| 218 | D | A | -2.8349 | |
| 219 | E | A | -1.9996 | |
| 220 | G | A | -1.0824 | |
| 221 | L | A | -0.0945 | |
| 222 | I | A | 0.2937 | |
| 223 | F | A | 1.4352 | |
| 224 | V | A | -0.0765 | |
| 225 | N | A | -1.5925 | |
| 226 | E | A | -2.3102 | |
| 227 | L | A | 0.0000 | |
| 228 | E | A | -2.8884 | |
| 229 | E | A | -2.4254 | |
| 230 | M | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | Q | A | -2.0585 | |
| 233 | I | A | -1.3764 | |
| 234 | N | A | -2.4218 | |
| 235 | Y | A | -1.7392 | |
| 236 | Y | A | 0.0000 | |
| 237 | N | A | -2.0293 | |
| 238 | D | A | -2.4692 | |
| 239 | V | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | Q | A | -1.2326 | |
| 243 | N | A | -1.8774 | |
| 244 | G | A | -1.3913 | |
| 245 | I | A | 0.0000 | |
| 246 | T | A | -0.7759 | |
| 247 | I | A | 0.0000 | |
| 248 | Y | A | 0.0000 | |
| 249 | N | A | -0.7753 | |
| 250 | S | A | -0.2771 | |
| 251 | I | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | S | A | -0.9028 | |
| 254 | G | A | -0.7238 | |
| 255 | F | A | -0.2835 | |
| 256 | T | A | -1.0349 | |
| 257 | K | A | -1.9525 | |
| 258 | N | A | -2.2372 | |
| 259 | D | A | -1.9525 | |
| 260 | I | A | 0.0166 | |
| 261 | K | A | -0.8418 | |
| 262 | Y | A | -0.9191 | |
| 263 | K | A | -1.6035 | |
| 264 | G | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | N | A | -0.9612 | |
| 267 | E | A | -1.4281 | |
| 268 | Y | A | -0.8894 | |
| 269 | I | A | 0.0000 | |
| 270 | N | A | -1.6524 | |
| 271 | N | A | -2.0224 | |
| 272 | Y | A | -1.4740 | |
| 273 | N | A | 0.0000 | |
| 274 | Q | A | -2.4360 | |
| 275 | T | A | -2.0352 | |
| 276 | K | A | -3.2628 | |
| 277 | D | A | -3.8680 | |
| 278 | K | A | -3.2837 | |
| 279 | K | A | -3.6617 | |
| 280 | D | A | -3.7688 | |
| 281 | R | A | -2.8966 | |
| 282 | L | A | 0.0000 | |
| 283 | P | A | -1.1696 | |
| 284 | K | A | -0.9860 | |
| 285 | L | A | 0.0000 | |
| 286 | K | A | -1.6709 | |
| 287 | Q | A | -1.5313 | |
| 288 | L | A | 0.0000 | |
| 289 | Y | A | -0.2516 | |
| 290 | K | A | -1.3109 | |
| 291 | Q | A | 0.0000 | |
| 292 | I | A | -0.3105 | |
| 293 | L | A | -1.0239 | |
| 294 | S | A | -1.3445 | |
| 295 | D | A | -2.3829 | |
| 296 | R | A | -1.8037 | |
| 297 | I | A | 0.5776 | |
| 298 | S | A | -0.1639 | |
| 299 | L | A | 0.3987 | |
| 300 | S | A | 0.3306 | |
| 301 | F | A | 0.0317 | |
| 302 | L | A | 0.0000 | |
| 303 | P | A | -0.8394 | |
| 304 | D | A | -1.7076 | |
| 305 | A | A | -1.0318 | |
| 306 | F | A | -0.7584 | |
| 307 | T | A | -0.7523 | |
| 308 | D | A | -1.9512 | |
| 309 | G | A | 0.0000 | |
| 310 | K | A | -2.8320 | |
| 311 | Q | A | -1.4578 | |
| 312 | V | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | K | A | -1.9094 | |
| 315 | A | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | F | A | -0.8527 | |
| 318 | D | A | -0.8646 | |
| 319 | F | A | 0.0000 | |
| 320 | Y | A | 0.0000 | |
| 321 | K | A | -0.2146 | |
| 322 | I | A | 1.1337 | |
| 323 | N | A | 0.4352 | |
| 324 | L | A | 0.0000 | |
| 325 | L | A | 0.2682 | |
| 326 | S | A | -0.0510 | |
| 327 | Y | A | -0.1373 | |
| 328 | T | A | -1.2646 | |
| 329 | I | A | -1.4853 | |
| 330 | E | A | -2.5750 | |
| 331 | G | A | -2.7169 | |
| 332 | Q | A | -3.0580 | |
| 333 | E | A | -3.5633 | |
| 334 | E | A | -3.2064 | |
| 335 | S | A | -1.6597 | |
| 336 | Q | A | -1.1742 | |
| 337 | N | A | -0.0819 | |
| 338 | L | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | L | A | 0.2061 | |
| 341 | L | A | -0.0533 | |
| 342 | I | A | 0.0000 | |
| 343 | R | A | -1.0960 | |
| 344 | Q | A | -1.6909 | |
| 345 | T | A | -1.0491 | |
| 346 | I | A | 0.0000 | |
| 347 | E | A | -2.2371 | |
| 348 | N | A | -2.0150 | |
| 349 | L | A | 0.0000 | |
| 350 | S | A | -0.9448 | |
| 351 | S | A | -0.7116 | |
| 352 | F | A | -0.8147 | |
| 353 | D | A | -1.3103 | |
| 354 | T | A | -0.9598 | |
| 355 | Q | A | -1.7714 | |
| 356 | K | A | -1.9131 | |
| 357 | I | A | 0.0000 | |
| 358 | Y | A | -0.5756 | |
| 359 | L | A | 0.0000 | |
| 360 | K | A | -1.7265 | |
| 361 | N | A | -1.9489 | |
| 362 | D | A | -1.5193 | |
| 363 | T | A | -0.3309 | |
| 364 | H | A | -0.8993 | |
| 365 | L | A | 0.0000 | |
| 366 | T | A | 0.0134 | |
| 367 | T | A | -0.2934 | |
| 368 | I | A | 0.0000 | |
| 369 | S | A | 0.0000 | |
| 370 | Q | A | -0.6369 | |
| 371 | Q | A | -1.0401 | |
| 372 | V | A | 0.0000 | |
| 373 | F | A | 0.0000 | |
| 374 | G | A | -1.1632 | |
| 375 | D | A | -0.2729 | |
| 376 | F | A | 1.1321 | |
| 377 | S | A | 0.5119 | |
| 378 | V | A | 0.0000 | |
| 379 | F | A | 0.0000 | |
| 380 | S | A | -0.2199 | |
| 381 | T | A | 0.0324 | |
| 382 | A | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | N | A | -0.2923 | |
| 385 | Y | A | -0.2788 | |
| 386 | W | A | -0.6070 | |
| 387 | Y | A | 0.0000 | |
| 388 | E | A | -1.6832 | |
| 389 | T | A | -1.4026 | |
| 390 | K | A | -1.3762 | |
| 391 | V | A | -0.0361 | |
| 392 | N | A | -1.4601 | |
| 393 | P | A | -2.0148 | |
| 394 | K | A | -2.9458 | |
| 395 | F | A | 0.0000 | |
| 396 | E | A | -3.2354 | |
| 397 | T | A | -2.6091 | |
| 398 | E | A | -3.0748 | |
| 399 | Y | A | 0.0000 | |
| 400 | S | A | -2.5127 | |
| 401 | K | A | -2.9394 | |
| 402 | A | A | -2.6377 | |
| 403 | N | A | -3.1026 | |
| 404 | E | A | -2.7909 | |
| 405 | K | A | -2.7813 | |
| 406 | K | A | -2.5117 | |
| 407 | R | A | 0.0000 | |
| 408 | E | A | -2.6120 | |
| 409 | I | A | -0.3697 | |
| 410 | L | A | 0.0000 | |
| 411 | D | A | -1.4967 | |
| 412 | K | A | -1.5850 | |
| 413 | A | A | -0.2122 | |
| 414 | K | A | -0.5663 | |
| 415 | A | A | -0.4310 | |
| 416 | V | A | 0.4586 | |
| 417 | F | A | 0.0634 | |
| 418 | T | A | -0.9849 | |
| 419 | K | A | -2.1771 | |
| 420 | Q | A | -1.8815 | |
| 421 | D | A | -2.7587 | |
| 422 | Y | A | 0.0000 | |
| 423 | F | A | 0.0000 | |
| 424 | S | A | -0.6946 | |
| 425 | I | A | 0.0000 | |
| 426 | A | A | -0.8852 | |
| 427 | F | A | -0.4662 | |
| 428 | L | A | 0.0000 | |
| 429 | Q | A | -1.1061 | |
| 430 | E | A | -1.6995 | |
| 431 | V | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | S | A | -0.5092 | |
| 434 | E | A | -0.4283 | |
| 435 | Y | A | 0.0000 | |
| 436 | I | A | 0.0000 | |
| 437 | L | A | 1.2499 | |
| 438 | T | A | 0.2448 | |
| 439 | L | A | 0.0000 | |
| 440 | D | A | -1.2302 | |
| 441 | H | A | -1.5018 | |
| 442 | T | A | -1.4744 | |
| 443 | S | A | -1.9202 | |
| 444 | D | A | -2.9845 | |
| 445 | I | A | 0.0000 | |
| 446 | V | A | -1.7797 | |
| 447 | K | A | -3.1496 | |
| 448 | K | A | -2.6759 | |
| 449 | H | A | -1.7021 | |
| 450 | S | A | -1.0337 | |
| 451 | S | A | -0.7796 | |
| 452 | N | A | -0.6346 | |
| 453 | C | A | 0.0000 | |
| 454 | I | A | 0.0000 | |
| 455 | A | A | 0.0000 | |
| 456 | D | A | -1.6007 | |
| 457 | Y | A | 0.0000 | |
| 458 | F | A | 0.0000 | |
| 459 | K | A | -2.3874 | |
| 460 | N | A | -1.9813 | |
| 461 | H | A | -1.1511 | |
| 462 | F | A | 0.0000 | |
| 463 | V | A | -0.0854 | |
| 464 | A | A | 0.0000 | |
| 465 | K | A | -2.8015 | |
| 466 | K | A | -3.7679 | |
| 467 | E | A | -4.0052 | |
| 468 | N | A | -4.1720 | |
| 469 | E | A | -4.0118 | |
| 470 | T | A | -2.6512 | |
| 471 | D | A | -3.2452 | |
| 472 | K | A | -2.6752 | |
| 473 | T | A | -1.2773 | |
| 474 | F | A | -0.1040 | |
| 475 | D | A | 0.0376 | |
| 476 | F | A | 0.0000 | |
| 477 | I | A | 0.3254 | |
| 478 | A | A | 0.2049 | |
| 479 | N | A | -0.3014 | |
| 480 | I | A | 0.0000 | |
| 481 | T | A | -0.3765 | |
| 482 | A | A | -0.4105 | |
| 483 | K | A | -0.6919 | |
| 484 | Y | A | 0.0000 | |
| 485 | Q | A | -1.1749 | |
| 486 | C | A | -0.1050 | |
| 487 | I | A | 0.0000 | |
| 488 | Q | A | -1.1943 | |
| 489 | G | A | -1.1464 | |
| 490 | I | A | -0.9318 | |
| 491 | L | A | 0.0000 | |
| 492 | E | A | -2.8959 | |
| 493 | N | A | -2.6476 | |
| 494 | A | A | 0.0000 | |
| 495 | D | A | -3.4415 | |
| 496 | Q | A | -3.1394 | |
| 497 | Y | A | -3.0474 | |
| 498 | E | A | -3.8444 | |
| 499 | D | A | -4.1712 | |
| 500 | E | A | -3.9459 | |
| 501 | L | A | 0.0000 | |
| 502 | K | A | -2.6573 | |
| 503 | Q | A | -2.8814 | |
| 504 | D | A | -2.7720 | |
| 505 | Q | A | -2.2218 | |
| 506 | K | A | -2.5041 | |
| 507 | L | A | 0.0000 | |
| 508 | I | A | 0.0000 | |
| 509 | D | A | 0.0000 | |
| 510 | N | A | -0.9714 | |
| 511 | L | A | 0.0000 | |
| 512 | K | A | -0.8263 | |
| 513 | F | A | -0.1862 | |
| 514 | F | A | 0.0000 | |
| 515 | L | A | 0.0000 | |
| 516 | D | A | -0.3930 | |
| 517 | A | A | 0.0000 | |
| 518 | I | A | 0.0000 | |
| 519 | L | A | -0.1604 | |
| 520 | E | A | -0.7856 | |
| 521 | L | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | H | A | -1.1350 | |
| 524 | F | A | 0.0000 | |
| 525 | I | A | 0.0000 | |
| 526 | K | A | -1.1798 | |
| 527 | P | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | H | A | -1.0594 | |
| 530 | L | A | -1.5157 | |
| 531 | K | A | -2.3568 | |
| 532 | S | A | -2.0592 | |
| 533 | E | A | -2.2464 | |
| 534 | S | A | -1.4122 | |
| 535 | I | A | -1.3699 | |
| 536 | T | A | -1.6167 | |
| 537 | E | A | -2.4874 | |
| 538 | K | A | -2.0848 | |
| 539 | D | A | 0.0000 | |
| 540 | T | A | -1.2579 | |
| 541 | A | A | 0.0000 | |
| 542 | F | A | 0.0000 | |
| 543 | Y | A | 0.0000 | |
| 544 | D | A | -0.5486 | |
| 545 | V | A | 0.1617 | |
| 546 | F | A | 0.0000 | |
| 547 | E | A | -1.3304 | |
| 548 | N | A | -1.9665 | |
| 549 | Y | A | 0.0000 | |
| 550 | Y | A | 0.0000 | |
| 551 | E | A | -2.2899 | |
| 552 | A | A | -1.1814 | |
| 553 | L | A | 0.0000 | |
| 554 | S | A | -0.8209 | |
| 555 | L | A | -0.0939 | |
| 556 | L | A | 0.0000 | |
| 557 | T | A | -0.0224 | |
| 558 | P | A | -0.1618 | |
| 559 | L | A | 0.0000 | |
| 560 | Y | A | -0.5036 | |
| 561 | N | A | -1.0883 | |
| 562 | M | A | -0.9329 | |
| 563 | V | A | 0.0000 | |
| 564 | R | A | -1.5454 | |
| 565 | N | A | -2.1223 | |
| 566 | Y | A | 0.0000 | |
| 567 | V | A | -1.5989 | |
| 568 | T | A | -1.9478 | |
| 569 | Q | A | -2.5764 | |
| 570 | K | A | -2.5624 | |
| 571 | P | A | -1.6633 | |
| 572 | Y | A | -1.3996 | |
| 573 | S | A | -1.5579 | |
| 574 | T | A | -1.6683 | |
| 575 | E | A | -2.6297 | |
| 576 | K | A | -2.5375 | |
| 577 | I | A | -1.7832 | |
| 578 | K | A | -1.0485 | |
| 579 | L | A | 0.0000 | |
| 580 | N | A | 0.0000 | |
| 581 | F | A | 0.0000 | |
| 582 | E | A | -1.0194 | |
| 583 | N | A | -0.9422 | |
| 584 | A | A | -0.6347 | |
| 585 | Q | A | -1.2542 | |
| 586 | L | A | -1.0759 | |
| 587 | L | A | 0.0000 | |
| 588 | N | A | -1.7176 | |
| 589 | G | A | -1.1257 | |
| 590 | W | A | 0.0000 | |
| 591 | D | A | -1.1610 | |
| 592 | A | A | -1.2081 | |
| 593 | N | A | -2.0712 | |
| 594 | K | A | -1.9726 | |
| 595 | E | A | 0.0000 | |
| 596 | G | A | -2.1491 | |
| 597 | D | A | -2.0263 | |
| 598 | Y | A | -1.2892 | |
| 599 | L | A | 0.0000 | |
| 600 | T | A | 0.0000 | |
| 601 | T | A | 0.0000 | |
| 602 | I | A | 0.0000 | |
| 603 | L | A | 0.0000 | |
| 604 | K | A | -1.5205 | |
| 605 | K | A | -2.0703 | |
| 606 | D | A | -2.4485 | |
| 607 | G | A | -1.7301 | |
| 608 | N | A | -1.3184 | |
| 609 | Y | A | 0.0000 | |
| 610 | F | A | -0.0345 | |
| 611 | L | A | 0.0000 | |
| 612 | A | A | 0.0000 | |
| 613 | I | A | 0.0000 | |
| 614 | M | A | 0.0000 | |
| 615 | D | A | 0.0000 | |
| 616 | K | A | -2.7564 | |
| 617 | K | A | -2.8844 | |
| 618 | H | A | -2.4812 | |
| 619 | N | A | -2.6621 | |
| 620 | K | A | -3.1821 | |
| 621 | A | A | -1.9066 | |
| 622 | F | A | 0.0000 | |
| 623 | Q | A | -2.6955 | |
| 624 | K | A | -2.3816 | |
| 625 | F | A | -1.5135 | |
| 626 | P | A | -1.5895 | |
| 627 | E | A | -3.3041 | |
| 628 | G | A | -3.0425 | |
| 629 | K | A | -3.4607 | |
| 630 | E | A | -3.7186 | |
| 631 | N | A | -3.2894 | |
| 632 | Y | A | 0.0000 | |
| 633 | E | A | -2.3828 | |
| 634 | K | A | 0.0000 | |
| 635 | M | A | 0.0000 | |
| 636 | V | A | -0.8680 | |
| 637 | Y | A | 0.0000 | |
| 638 | K | A | -0.7318 | |
| 639 | L | A | -0.2948 | |
| 640 | L | A | 0.0000 | |
| 641 | P | A | -0.6634 | |
| 642 | G | A | -1.1455 | |
| 643 | V | A | 0.0000 | |
| 644 | N | A | -2.3309 | |
| 645 | K | A | -2.6251 | |
| 646 | M | A | -1.5761 | |
| 647 | L | A | 0.0000 | |
| 648 | P | A | -1.2989 | |
| 649 | K | A | -2.2230 | |
| 650 | V | A | -1.1355 | |
| 651 | F | A | 0.0000 | |
| 652 | F | A | -0.5878 | |
| 653 | S | A | -1.4225 | |
| 654 | N | A | -1.9608 | |
| 655 | K | A | -1.9920 | |
| 656 | N | A | -0.9735 | |
| 657 | I | A | -0.2522 | |
| 658 | A | A | -0.0899 | |
| 659 | Y | A | 0.5369 | |
| 660 | F | A | 0.0000 | |
| 661 | N | A | -0.8944 | |
| 662 | P | A | -0.9346 | |
| 663 | S | A | -1.9720 | |
| 664 | K | A | -3.0142 | |
| 665 | E | A | -3.2074 | |
| 666 | L | A | 0.0000 | |
| 667 | L | A | -2.2214 | |
| 668 | E | A | -3.2758 | |
| 669 | N | A | -2.8780 | |
| 670 | Y | A | -2.5956 | |
| 671 | K | A | -3.3981 | |
| 672 | K | A | -3.5215 | |
| 673 | E | A | -3.5211 | |
| 674 | T | A | -2.7296 | |
| 675 | H | A | 0.0000 | |
| 676 | K | A | -2.9674 | |
| 677 | K | A | -3.0770 | |
| 678 | G | A | -2.5489 | |
| 679 | D | A | -2.4379 | |
| 680 | T | A | -1.9321 | |
| 681 | F | A | -1.8716 | |
| 682 | N | A | -1.4108 | |
| 683 | L | A | -1.2116 | |
| 684 | E | A | -1.9125 | |
| 685 | H | A | -1.6431 | |
| 686 | C | A | 0.0000 | |
| 687 | H | A | 0.0000 | |
| 688 | T | A | -1.2464 | |
| 689 | L | A | 0.0000 | |
| 690 | I | A | 0.0000 | |
| 691 | D | A | -2.4313 | |
| 692 | F | A | -1.4158 | |
| 693 | F | A | 0.0000 | |
| 694 | K | A | -2.1847 | |
| 695 | D | A | -3.0612 | |
| 696 | S | A | 0.0000 | |
| 697 | L | A | 0.0000 | |
| 698 | N | A | -3.2756 | |
| 699 | K | A | -2.7648 | |
| 700 | H | A | -2.2413 | |
| 701 | E | A | -2.6363 | |
| 702 | D | A | -1.8010 | |
| 703 | W | A | 0.0000 | |
| 704 | K | A | -2.5707 | |
| 705 | Y | A | -0.4921 | |
| 706 | F | A | -0.9527 | |
| 707 | D | A | -1.9827 | |
| 708 | F | A | -1.4860 | |
| 709 | Q | A | -1.6901 | |
| 710 | F | A | -1.0155 | |
| 711 | S | A | -1.3940 | |
| 712 | E | A | -2.6575 | |
| 713 | T | A | 0.0000 | |
| 714 | K | A | -2.9154 | |
| 715 | S | A | -1.8890 | |
| 716 | Y | A | 0.0000 | |
| 717 | Q | A | -1.7089 | |
| 718 | D | A | -1.4052 | |
| 719 | L | A | 0.0000 | |
| 720 | S | A | -1.1911 | |
| 721 | G | A | -0.9039 | |
| 722 | F | A | 0.0000 | |
| 723 | Y | A | -1.2636 | |
| 724 | R | A | -1.7557 | |
| 725 | E | A | -1.3679 | |
| 726 | V | A | 0.0000 | |
| 727 | E | A | -1.4056 | |
| 728 | H | A | -1.3015 | |
| 729 | Q | A | -1.4515 | |
| 730 | G | A | 0.0000 | |
| 731 | Y | A | 0.0000 | |
| 732 | K | A | -1.0934 | |
| 733 | I | A | 0.0000 | |
| 734 | N | A | -1.7392 | |
| 735 | F | A | -1.2637 | |
| 736 | K | A | -2.1872 | |
| 737 | N | A | -2.7337 | |
| 738 | I | A | 0.0000 | |
| 739 | D | A | -3.0384 | |
| 740 | S | A | -2.7849 | |
| 741 | E | A | -3.1294 | |
| 742 | Y | A | -1.5328 | |
| 743 | I | A | 0.0000 | |
| 744 | D | A | -2.7613 | |
| 745 | G | A | -2.2057 | |
| 746 | L | A | 0.0000 | |
| 747 | V | A | 0.0000 | |
| 748 | N | A | -2.8631 | |
| 749 | E | A | -2.7512 | |
| 750 | G | A | 0.0000 | |
| 751 | K | A | -1.7953 | |
| 752 | L | A | 0.0000 | |
| 753 | F | A | 0.0000 | |
| 754 | L | A | 0.0000 | |
| 755 | F | A | 0.0000 | |
| 756 | Q | A | 0.0000 | |
| 757 | I | A | 0.0000 | |
| 758 | Y | A | -0.3900 | |
| 759 | S | A | -1.1774 | |
| 760 | K | A | -1.6686 | |
| 761 | D | A | -1.4932 | |
| 762 | F | A | -0.3856 | |
| 763 | S | A | -0.3064 | |
| 764 | P | A | 0.1677 | |
| 765 | F | A | 1.0359 | |
| 766 | S | A | -0.8487 | |
| 767 | K | A | -1.9172 | |
| 768 | G | A | -2.0527 | |
| 769 | K | A | -2.8870 | |
| 770 | P | A | -1.9988 | |
| 771 | N | A | -1.5735 | |
| 772 | M | A | -0.6338 | |
| 773 | H | A | -0.9645 | |
| 774 | T | A | 0.0000 | |
| 775 | L | A | -0.5342 | |
| 776 | Y | A | 0.0000 | |
| 777 | W | A | 0.0000 | |
| 778 | K | A | -0.9997 | |
| 779 | A | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | F | A | 0.0000 | |
| 782 | E | A | -2.1087 | |
| 783 | E | A | -3.0001 | |
| 784 | Q | A | -2.4058 | |
| 785 | N | A | 0.0000 | |
| 786 | L | A | -2.0226 | |
| 787 | Q | A | -2.5063 | |
| 788 | N | A | -2.1634 | |
| 789 | V | A | 0.0000 | |
| 790 | I | A | -0.4731 | |
| 791 | Y | A | 0.0000 | |
| 792 | K | A | -0.2665 | |
| 793 | L | A | 0.0000 | |
| 794 | N | A | -0.7359 | |
| 795 | G | A | -1.1629 | |
| 796 | Q | A | -1.8820 | |
| 797 | A | A | 0.0000 | |
| 798 | E | A | -1.6157 | |
| 799 | I | A | 0.0000 | |
| 800 | F | A | -1.0034 | |
| 801 | F | A | 0.0000 | |
| 802 | R | A | -2.3862 | |
| 803 | K | A | -2.5671 | |
| 804 | A | A | -1.9179 | |
| 805 | S | A | -1.3999 | |
| 806 | I | A | 0.0000 | |
| 807 | K | A | -2.2913 | |
| 808 | P | A | -1.6822 | |
| 809 | K | A | -2.3434 | |
| 810 | N | A | -1.7465 | |
| 811 | I | A | -0.2196 | |
| 812 | I | A | 1.1352 | |
| 813 | L | A | 0.6865 | |
| 814 | H | A | -0.2691 | |
| 815 | K | A | -1.3910 | |
| 816 | K | A | -1.7383 | |
| 817 | K | A | -2.4665 | |
| 818 | I | A | -1.1746 | |
| 819 | K | A | -0.9509 | |
| 820 | I | A | -0.4416 | |
| 821 | A | A | 0.0000 | |
| 822 | K | A | -1.6050 | |
| 823 | K | A | -1.5330 | |
| 824 | H | A | -0.8620 | |
| 825 | F | A | -0.6093 | |
| 826 | I | A | -0.0079 | |
| 827 | D | A | 0.0000 | |
| 828 | K | A | -2.7415 | |
| 829 | K | A | -2.8861 | |
| 830 | T | A | -2.0259 | |
| 831 | K | A | -2.5302 | |
| 832 | T | A | -1.2393 | |
| 833 | S | A | -0.4763 | |
| 834 | E | A | -0.7040 | |
| 835 | I | A | -0.5713 | |
| 836 | V | A | 0.0000 | |
| 837 | P | A | -0.8027 | |
| 838 | V | A | -0.1677 | |
| 839 | Q | A | -1.5240 | |
| 840 | T | A | 0.0000 | |
| 841 | I | A | -0.9784 | |
| 842 | K | A | -1.7412 | |
| 843 | N | A | -1.4885 | |
| 844 | L | A | 0.0000 | |
| 845 | N | A | -0.8790 | |
| 846 | M | A | -0.8230 | |
| 847 | Y | A | -1.2031 | |
| 848 | Y | A | -0.5109 | |
| 849 | Q | A | -1.0155 | |
| 850 | G | A | -1.2433 | |
| 851 | K | A | -1.6885 | |
| 852 | I | A | -1.5339 | |
| 853 | S | A | -2.0669 | |
| 854 | E | A | -2.4524 | |
| 855 | K | A | -3.2029 | |
| 856 | E | A | -3.1310 | |
| 857 | L | A | 0.0000 | |
| 858 | T | A | -2.1490 | |
| 859 | Q | A | -2.5167 | |
| 860 | D | A | -2.6307 | |
| 861 | D | A | 0.0000 | |
| 862 | L | A | -1.4695 | |
| 863 | R | A | -1.8307 | |
| 864 | Y | A | 0.0000 | |
| 865 | I | A | -0.8923 | |
| 866 | D | A | -1.7737 | |
| 867 | N | A | -1.0397 | |
| 868 | F | A | -0.3760 | |
| 869 | S | A | -0.1306 | |
| 870 | I | A | 0.2196 | |
| 871 | F | A | -1.1373 | |
| 872 | N | A | -2.5102 | |
| 873 | E | A | -3.0613 | |
| 874 | K | A | -3.4235 | |
| 875 | N | A | -3.0065 | |
| 876 | K | A | -2.9957 | |
| 877 | T | A | -1.9224 | |
| 878 | I | A | 0.0038 | |
| 879 | D | A | -0.5857 | |
| 880 | I | A | 0.3306 | |
| 881 | I | A | -0.0336 | |
| 882 | K | A | -1.2605 | |
| 883 | D | A | -1.4960 | |
| 884 | K | A | -2.0635 | |
| 885 | R | A | -2.7547 | |
| 886 | F | A | 0.0000 | |
| 887 | T | A | -1.6586 | |
| 888 | V | A | -1.1935 | |
| 889 | D | A | -1.7173 | |
| 890 | K | A | -1.3997 | |
| 891 | F | A | 0.0000 | |
| 892 | Q | A | -0.9336 | |
| 893 | F | A | 0.0000 | |
| 894 | H | A | -1.3810 | |
| 895 | V | A | 0.0000 | |
| 896 | P | A | -1.1160 | |
| 897 | I | A | 0.0000 | |
| 898 | T | A | -0.3526 | |
| 899 | M | A | 0.0000 | |
| 900 | N | A | 0.0000 | |
| 901 | F | A | -0.3504 | |
| 902 | K | A | -1.1399 | |
| 903 | A | A | -0.6921 | |
| 904 | T | A | -0.8031 | |
| 905 | G | A | -0.7674 | |
| 906 | G | A | -0.5702 | |
| 907 | S | A | -0.3254 | |
| 908 | Y | A | 0.5491 | |
| 909 | I | A | 0.0000 | |
| 910 | N | A | 0.0000 | |
| 911 | Q | A | -1.1984 | |
| 912 | T | A | -0.9875 | |
| 913 | V | A | 0.0000 | |
| 914 | L | A | 0.0000 | |
| 915 | E | A | -2.2890 | |
| 916 | Y | A | -1.3149 | |
| 917 | L | A | 0.0000 | |
| 918 | Q | A | -2.1541 | |
| 919 | N | A | -2.5707 | |
| 920 | N | A | -1.9602 | |
| 921 | P | A | -1.9186 | |
| 922 | E | A | -2.3990 | |
| 923 | V | A | 0.0000 | |
| 924 | K | A | -1.1938 | |
| 925 | I | A | 0.0000 | |
| 926 | I | A | 0.0000 | |
| 927 | G | A | 0.0000 | |
| 928 | L | A | 0.0000 | |
| 929 | D | A | 0.0000 | |
| 930 | R | A | 0.0000 | |
| 931 | G | A | 0.0000 | |
| 932 | E | A | -1.3689 | |
| 933 | R | A | -1.2349 | |
| 934 | H | A | -0.7135 | |
| 935 | L | A | 0.0000 | |
| 936 | V | A | 0.0000 | |
| 937 | Y | A | 0.0000 | |
| 938 | L | A | 0.0000 | |
| 939 | T | A | 0.0000 | |
| 940 | L | A | 0.0000 | |
| 941 | I | A | 0.0000 | |
| 942 | D | A | -1.5372 | |
| 943 | Q | A | -1.8878 | |
| 944 | Q | A | -1.9384 | |
| 945 | G | A | 0.0000 | |
| 946 | N | A | -1.3939 | |
| 947 | I | A | -0.4881 | |
| 948 | L | A | 0.1634 | |
| 949 | K | A | -0.8246 | |
| 950 | Q | A | -0.9544 | |
| 951 | E | A | -1.2706 | |
| 952 | S | A | -0.6824 | |
| 953 | L | A | 0.0000 | |
| 954 | N | A | -0.5971 | |
| 955 | T | A | -0.6394 | |
| 956 | I | A | 0.0000 | |
| 957 | T | A | -0.9626 | |
| 958 | D | A | -1.9928 | |
| 959 | S | A | -1.4043 | |
| 960 | K | A | -1.4248 | |
| 961 | I | A | 0.4746 | |
| 962 | S | A | -0.0451 | |
| 963 | T | A | -0.0976 | |
| 964 | P | A | -0.2777 | |
| 965 | Y | A | -0.5525 | |
| 966 | H | A | 0.0000 | |
| 967 | K | A | -2.0147 | |
| 968 | L | A | -1.2478 | |
| 969 | L | A | 0.0000 | |
| 970 | D | A | -2.9409 | |
| 971 | N | A | -3.4736 | |
| 972 | K | A | -3.2135 | |
| 973 | E | A | -3.8168 | |
| 974 | N | A | -3.8182 | |
| 975 | E | A | -3.6876 | |
| 976 | R | A | -3.7677 | |
| 977 | D | A | -3.4923 | |
| 978 | L | A | -1.1823 | |
| 979 | A | A | -2.0483 | |
| 980 | R | A | -3.0533 | |
| 981 | K | A | -2.1068 | |
| 982 | N | A | -1.9105 | |
| 983 | W | A | 0.0000 | |
| 984 | G | A | -1.6909 | |
| 985 | T | A | 0.0000 | |
| 986 | V | A | -1.9502 | |
| 987 | E | A | -3.0830 | |
| 988 | N | A | -3.0656 | |
| 989 | I | A | 0.0000 | |
| 990 | K | A | -3.0553 | |
| 991 | E | A | -3.5171 | |
| 992 | L | A | -2.0236 | |
| 993 | K | A | -1.9031 | |
| 994 | E | A | -2.2667 | |
| 995 | G | A | -1.4025 | |
| 996 | Y | A | 0.0000 | |
| 997 | I | A | 0.0000 | |
| 998 | S | A | -0.9724 | |
| 999 | Q | A | -1.4272 | |
| 1000 | V | A | 0.0000 | |
| 1001 | V | A | 0.0000 | |
| 1002 | H | A | -1.2341 | |
| 1003 | K | A | -1.3362 | |
| 1004 | I | A | 0.0000 | |
| 1005 | A | A | 0.0000 | |
| 1006 | T | A | -0.7834 | |
| 1007 | L | A | -0.8174 | |
| 1008 | M | A | 0.0000 | |
| 1009 | L | A | -0.6935 | |
| 1010 | E | A | -1.8630 | |
| 1011 | E | A | -1.5457 | |
| 1012 | N | A | 0.0000 | |
| 1013 | A | A | 0.0000 | |
| 1014 | I | A | 0.0000 | |
| 1015 | V | A | 0.0000 | |
| 1016 | V | A | 0.0000 | |
| 1017 | M | A | 0.0000 | |
| 1018 | E | A | 0.0000 | |
| 1019 | D | A | 0.0000 | |
| 1020 | L | A | 0.0000 | |
| 1021 | N | A | -1.8387 | |
| 1022 | R | A | -2.2303 | mutated: FR1022A |
| 1023 | G | A | -1.4538 | |
| 1024 | F | A | -1.0269 | |
| 1025 | K | A | -1.6269 | |
| 1026 | R | A | -2.6558 | |
| 1027 | G | A | -2.5427 | |
| 1028 | R | A | -2.9121 | |
| 1029 | F | A | -2.1945 | |
| 1030 | K | A | -1.7382 | |
| 1031 | V | A | 0.0000 | |
| 1032 | E | A | -2.7575 | |
| 1033 | K | A | -1.9489 | |
| 1034 | Q | A | -1.9535 | |
| 1035 | I | A | -1.7239 | |
| 1036 | Y | A | 0.0000 | |
| 1037 | Q | A | -1.2486 | |
| 1038 | K | A | -1.2921 | |
| 1039 | L | A | 0.0000 | |
| 1040 | E | A | 0.0000 | |
| 1041 | K | A | -1.4455 | |
| 1042 | M | A | -1.1933 | |
| 1043 | L | A | 0.0000 | |
| 1044 | I | A | 0.0000 | |
| 1045 | D | A | -2.3703 | |
| 1046 | K | A | -1.4523 | |
| 1047 | L | A | 0.0000 | |
| 1048 | N | A | 0.0000 | |
| 1049 | Y | A | 0.0000 | |
| 1050 | L | A | 0.0000 | |
| 1051 | V | A | 0.0000 | |
| 1052 | L | A | -1.2927 | |
| 1053 | K | A | -2.3246 | |
| 1054 | D | A | -3.1033 | |
| 1055 | K | A | -2.9033 | |
| 1056 | Q | A | -2.9233 | |
| 1057 | P | A | -2.1522 | |
| 1058 | Q | A | -2.4528 | |
| 1059 | E | A | -2.8554 | |
| 1060 | L | A | -1.2590 | |
| 1061 | G | A | 0.0000 | |
| 1062 | G | A | 0.0000 | |
| 1063 | L | A | -0.9542 | |
| 1064 | Y | A | 0.0000 | |
| 1065 | N | A | -1.3314 | |
| 1066 | A | A | 0.0000 | |
| 1067 | L | A | 0.0000 | |
| 1068 | Q | A | 0.0000 | |
| 1069 | L | A | 0.0000 | |
| 1070 | T | A | 0.0000 | |
| 1071 | N | A | 0.0000 | |
| 1072 | K | A | -2.1122 | |
| 1073 | F | A | -1.9329 | |
| 1074 | E | A | -2.6582 | |
| 1075 | S | A | -1.9061 | |
| 1076 | F | A | -1.3572 | |
| 1077 | Q | A | -2.2989 | |
| 1078 | K | A | -2.6334 | |
| 1079 | M | A | -1.7624 | |
| 1080 | G | A | -1.2531 | |
| 1081 | K | A | -0.9442 | |
| 1082 | Q | A | 0.0000 | |
| 1083 | S | A | 0.0000 | |
| 1084 | G | A | 0.0000 | |
| 1085 | F | A | 0.0000 | |
| 1086 | L | A | 0.0000 | |
| 1087 | F | A | 0.0000 | |
| 1088 | Y | A | 0.0000 | |
| 1089 | V | A | 0.0000 | |
| 1090 | P | A | -0.5813 | |
| 1091 | A | A | 0.0000 | |
| 1092 | W | A | -0.2232 | |
| 1093 | N | A | -0.5860 | |
| 1094 | T | A | 0.0000 | |
| 1095 | S | A | -0.6906 | |
| 1096 | K | A | -1.4479 | |
| 1097 | I | A | 0.0000 | |
| 1098 | D | A | 0.0000 | |
| 1099 | P | A | 0.0000 | |
| 1100 | T | A | -0.9344 | |
| 1101 | T | A | 0.0000 | |
| 1102 | G | A | 0.0000 | |
| 1103 | F | A | 0.0000 | |
| 1104 | V | A | 0.0000 | |
| 1105 | N | A | -0.8626 | |
| 1106 | Y | A | -0.0178 | |
| 1107 | F | A | 0.0000 | |
| 1108 | Y | A | 0.7303 | |
| 1109 | T | A | 0.0000 | |
| 1110 | K | A | -1.3905 | |
| 1111 | Y | A | -1.2087 | |
| 1112 | E | A | -1.7442 | |
| 1113 | N | A | -1.9684 | |
| 1114 | V | A | -2.4265 | |
| 1115 | D | A | -2.9268 | |
| 1116 | K | A | -2.6584 | |
| 1117 | A | A | 0.0000 | |
| 1118 | K | A | -2.3855 | |
| 1119 | A | A | -1.9734 | |
| 1120 | F | A | -1.5294 | |
| 1121 | F | A | 0.0000 | |
| 1122 | E | A | -2.9210 | |
| 1123 | K | A | -3.3291 | |
| 1124 | F | A | 0.0000 | |
| 1125 | E | A | -2.7942 | |
| 1126 | A | A | -2.0359 | |
| 1127 | I | A | 0.0000 | |
| 1128 | R | A | -1.7571 | |
| 1129 | F | A | 0.0000 | |
| 1130 | N | A | -2.5115 | |
| 1131 | A | A | -2.5216 | |
| 1132 | E | A | -3.0695 | |
| 1133 | K | A | -3.1246 | |
| 1134 | K | A | -3.1879 | |
| 1135 | Y | A | 0.0000 | |
| 1136 | F | A | 0.0000 | |
| 1137 | E | A | -1.1429 | |
| 1138 | F | A | 0.0000 | |
| 1139 | E | A | -2.1678 | |
| 1140 | V | A | 0.0000 | |
| 1141 | K | A | -3.3781 | |
| 1142 | K | A | -3.4137 | |
| 1143 | Y | A | 0.0000 | |
| 1144 | S | A | -2.1674 | |
| 1145 | D | A | -2.9200 | |
| 1146 | F | A | 0.0000 | |
| 1147 | N | A | 0.0000 | |
| 1148 | P | A | -1.6158 | |
| 1149 | K | A | -1.3280 | |
| 1150 | A | A | 0.0000 | |
| 1151 | E | A | -2.2387 | |
| 1152 | G | A | -1.3881 | |
| 1153 | T | A | -1.5013 | |
| 1154 | Q | A | -1.4548 | |
| 1155 | Q | A | -1.8038 | |
| 1156 | A | A | -1.5473 | |
| 1157 | W | A | 0.0000 | |
| 1158 | T | A | -0.7524 | |
| 1159 | I | A | 0.0000 | |
| 1160 | C | A | 0.0000 | |
| 1161 | T | A | 0.0000 | |
| 1162 | Y | A | -0.4778 | |
| 1163 | G | A | -0.8646 | |
| 1164 | E | A | -2.0545 | |
| 1165 | R | A | 0.0000 | |
| 1166 | I | A | 0.0000 | |
| 1167 | E | A | 0.0000 | |
| 1168 | T | A | -0.7200 | |
| 1169 | K | A | -1.9474 | |
| 1170 | R | A | -3.2151 | |
| 1171 | Q | A | -3.4585 | |
| 1172 | K | A | -4.1054 | |
| 1173 | D | A | -3.9060 | |
| 1174 | Q | A | -3.1813 | |
| 1175 | N | A | -3.7194 | |
| 1176 | N | A | -3.3696 | |
| 1177 | K | A | -2.4943 | |
| 1178 | F | A | -0.4204 | |
| 1179 | V | A | -0.5164 | |
| 1180 | S | A | -0.5871 | |
| 1181 | T | A | -0.1548 | |
| 1182 | P | A | -0.9169 | |
| 1183 | I | A | 0.0000 | |
| 1184 | N | A | -2.4487 | |
| 1185 | L | A | 0.0000 | |
| 1186 | T | A | -2.2352 | |
| 1187 | E | A | -3.4774 | |
| 1188 | K | A | -2.5437 | |
| 1189 | I | A | 0.0000 | |
| 1190 | E | A | -2.3686 | |
| 1191 | D | A | -3.2350 | |
| 1192 | F | A | -2.1355 | |
| 1193 | L | A | 0.0000 | |
| 1194 | G | A | -1.9588 | |
| 1195 | K | A | -2.8128 | |
| 1196 | N | A | -1.8720 | |
| 1197 | Q | A | -1.4900 | |
| 1198 | I | A | 0.0000 | |
| 1199 | V | A | 0.6538 | |
| 1200 | Y | A | -0.5541 | |
| 1201 | G | A | -1.4099 | |
| 1202 | D | A | -2.1719 | |
| 1203 | G | A | -1.9484 | |
| 1204 | N | A | -1.8910 | |
| 1205 | C | A | -1.1261 | |
| 1206 | I | A | 0.0000 | |
| 1207 | K | A | -1.5513 | |
| 1208 | S | A | -0.8004 | |
| 1209 | Q | A | -0.4446 | |
| 1210 | I | A | 0.0000 | |
| 1211 | A | A | -1.4059 | |
| 1212 | S | A | -1.2446 | |
| 1213 | K | A | -2.0272 | |
| 1214 | D | A | -3.1707 | |
| 1215 | D | A | -2.9781 | |
| 1216 | K | A | -2.2906 | |
| 1217 | A | A | -1.3618 | |
| 1218 | F | A | 0.0000 | |
| 1219 | F | A | 0.0000 | |
| 1220 | E | A | -1.6630 | |
| 1221 | T | A | -0.4800 | |
| 1222 | L | A | 0.0000 | |
| 1223 | L | A | 0.0000 | |
| 1224 | Y | A | -0.2143 | |
| 1225 | W | A | -0.1833 | |
| 1226 | F | A | 0.0000 | |
| 1227 | K | A | -0.9185 | |
| 1228 | M | A | 0.0000 | |
| 1229 | T | A | 0.0000 | |
| 1230 | L | A | 0.0000 | |
| 1231 | Q | A | -0.8873 | |
| 1232 | M | A | 0.0000 | |
| 1233 | R | A | -0.6563 | |
| 1234 | N | A | 0.0000 | |
| 1235 | S | A | -0.7121 | |
| 1236 | E | A | -0.7451 | |
| 1237 | T | A | -0.8655 | |
| 1238 | R | A | -2.1851 | |
| 1239 | T | A | -1.6618 | |
| 1240 | D | A | -1.9867 | |
| 1241 | I | A | -0.7011 | |
| 1242 | D | A | -0.6980 | |
| 1243 | Y | A | 0.0000 | |
| 1244 | L | A | 0.0000 | |
| 1245 | I | A | 0.0000 | |
| 1246 | S | A | 0.0000 | |
| 1247 | P | A | 0.0000 | |
| 1248 | V | A | 0.0000 | |
| 1249 | M | A | -0.3426 | |
| 1250 | N | A | 0.0000 | |
| 1251 | D | A | -2.6810 | |
| 1252 | N | A | -2.2941 | |
| 1253 | G | A | -1.5454 | |
| 1254 | T | A | -0.8604 | |
| 1255 | F | A | -0.2101 | |
| 1256 | Y | A | 0.0000 | |
| 1257 | N | A | -1.2198 | |
| 1258 | S | A | 0.0000 | |
| 1259 | R | A | -2.6396 | |
| 1260 | D | A | -2.9773 | |
| 1261 | Y | A | -2.7486 | |
| 1262 | E | A | -3.7634 | |
| 1263 | K | A | -3.3616 | |
| 1264 | L | A | -2.3022 | |
| 1265 | E | A | -2.7305 | |
| 1266 | N | A | -2.2952 | |
| 1267 | P | A | -1.8094 | |
| 1268 | T | A | -0.5523 | |
| 1269 | L | A | -0.6199 | |
| 1270 | P | A | 0.0000 | |
| 1271 | K | A | -2.0801 | |
| 1272 | D | A | -1.2137 | |
| 1273 | A | A | 0.0000 | |
| 1274 | D | A | 0.0000 | |
| 1275 | A | A | 0.0000 | |
| 1276 | N | A | 0.0000 | |
| 1277 | G | A | 0.0000 | |
| 1278 | A | A | 0.0000 | |
| 1279 | Y | A | 0.0000 | |
| 1280 | H | A | 0.0000 | |
| 1281 | I | A | 0.0000 | |
| 1282 | A | A | 0.0000 | |
| 1283 | K | A | 0.0000 | |
| 1284 | K | A | 0.0000 | |
| 1285 | G | A | 0.0000 | |
| 1286 | L | A | 0.0000 | |
| 1287 | M | A | 0.0000 | |
| 1288 | L | A | 0.0000 | |
| 1289 | L | A | 0.0000 | |
| 1290 | N | A | -1.9515 | |
| 1291 | K | A | -1.8931 | |
| 1292 | I | A | 0.0000 | |
| 1293 | D | A | -2.6502 | |
| 1294 | Q | A | -2.4254 | |
| 1295 | A | A | -2.6082 | |
| 1296 | D | A | -2.8765 | |
| 1297 | L | A | -2.4555 | |
| 1298 | T | A | -1.8416 | |
| 1299 | K | A | -3.2469 | |
| 1300 | K | A | -3.3426 | |
| 1301 | V | A | 0.0000 | |
| 1302 | D | A | -2.5316 | |
| 1303 | L | A | 0.0000 | |
| 1304 | S | A | -0.9094 | |
| 1305 | I | A | 0.0000 | |
| 1306 | S | A | -1.1533 | |
| 1307 | N | A | -0.9522 | |
| 1308 | R | A | -1.4569 | |
| 1309 | D | A | -1.4634 | |
| 1310 | W | A | 0.0000 | |
| 1311 | L | A | 0.0000 | |
| 1312 | Q | A | -1.6392 | |
| 1313 | F | A | -1.3581 | |
| 1314 | V | A | 0.0000 | |
| 1315 | Q | A | -1.8863 | |
| 1316 | K | A | -2.6076 | |
| 1317 | N | A | -2.2892 | |
| 1318 | K | A | -2.6386 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -1.1742 | 4.3155 | View | CSV | PDB |
| 4.5 | -1.2573 | 4.2533 | View | CSV | PDB |
| 5.0 | -1.3584 | 4.1654 | View | CSV | PDB |
| 5.5 | -1.4555 | 4.0637 | View | CSV | PDB |
| 6.0 | -1.5225 | 3.9598 | View | CSV | PDB |
| 6.5 | -1.5396 | 3.8636 | View | CSV | PDB |
| 7.0 | -1.5064 | 3.7829 | View | CSV | PDB |
| 7.5 | -1.4391 | 3.8749 | View | CSV | PDB |
| 8.0 | -1.3531 | 4.0608 | View | CSV | PDB |
| 8.5 | -1.2552 | 4.2534 | View | CSV | PDB |
| 9.0 | -1.1462 | 4.4485 | 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