| Chain sequence(s) |
A: METCDSPPISRQENGQSTSKLCGTTQLDNEVPEKVAGMEPDRENSSTDDNLKTDERKSEALLGFSVENAAATQVTSAKEIPCNECATSFPSLQKYMEHHCPNARLPVLKDDNESEISELEDSDVENLTGEIVYQPDGSAYIIEDSKESGQNAQTGANSKLFSTAMFLDSLASAGEKSDQSASAPMSFYPQIINTFHIASSLGKPFTADQAFPNTSALAGVGPVLHSFRVYDLRHKREKDYLTSDGSAKNSCVSKDVPNNVDLSKFDGCVSDGKRKPVLMCFLCKLSFGYIRSFVTHAVHDHRMTLNDEEQKLLSNKCVSAIIQGIGKDKEPLISFLEPKKSTSVYPHFSTTNLIGPDPTFRGLWSAFHVENGDSLPAGFAFLKGSASTSSSAEQPLGITQMPKAEVNLGGLSSLVVNTPITSVSLSHSSSESSKMSESKDQENNCERPKESNVLHPNGECPVKSEPTEPGDEDEEDAYSNELDDEEVLGELTDSIGNKDFPLLNQSISPLSSSVLKFIEKGTSSSSATVSDDTEKKKQTAAVRASGSVASNYGISGKDFADASASKDSATAAHPSEIARGDEDSSATPHQHGFTPSTPGTPGPGGDGSPGSGIECPKCDTVLGSSRSLGGHMTMMHSRNSCKTLKCPKCNWHYKYQQTLEAHMKEKHPEPGGSCVYCKTGQPHPRLARGESYTCGYKPFRCEVCNYSTTTKGNLSIHMQSDKHLNNVQNLQNGNGEQVFGHSAPAPNTSLSGCGTPSPSKPKQKPTWRCEVCDYETNVARNLRIHMTSEKHMHNMMLLQQNMKQIQHNLHLGLAPAEAELYQYYLAQNIGLTGMKLENPADPQLMINPFQLDPATAAALAPGLGELSPYISDPALKLFQCAVCNKFTSDSLEALSVHVSSERSLPEEEWRAVIGDIYQCKLCNYNTQLKANFQLHCKTDKHMQKYQLVAHIKEGGKSNEWRLKCIAIGNPVHLKCNACDYYTNSVDKLRLHTTNHRHEAALKLYKVSSDIHFRWHRVEKGINSFRAWSTSLQLKEKKREKTSKGRGHSF
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 |
| 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. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:24:43)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/328bf7614d1d7f0/tmp/folded.pdb (00:24:43)
[INFO] Main: Simulation completed successfully. (00:35:01)
|
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 | 0.0364 | |
| 2 | E | A | -1.3167 | |
| 3 | T | A | -0.9109 | |
| 4 | C | A | -0.6166 | |
| 5 | D | A | -1.8154 | |
| 6 | S | A | -1.1009 | |
| 7 | P | A | -0.4140 | |
| 8 | P | A | 0.4806 | |
| 9 | I | A | 1.2152 | |
| 10 | S | A | -0.3198 | |
| 11 | R | A | -2.5205 | |
| 12 | Q | A | -3.0675 | |
| 13 | E | A | -3.5107 | |
| 14 | N | A | -2.8711 | |
| 15 | G | A | -2.1118 | |
| 16 | Q | A | -1.8468 | |
| 17 | S | A | -1.0140 | |
| 18 | T | A | -0.8865 | |
| 19 | S | A | -0.8239 | |
| 20 | K | A | -0.9680 | |
| 21 | L | A | 0.9828 | |
| 22 | C | A | 0.9421 | |
| 23 | G | A | 0.0950 | |
| 24 | T | A | -0.4630 | |
| 25 | T | A | -0.6606 | |
| 26 | Q | A | -0.8719 | |
| 27 | L | A | -0.3248 | |
| 28 | D | A | -2.3356 | |
| 29 | N | A | -2.3652 | |
| 30 | E | A | -2.0510 | |
| 31 | V | A | 0.1295 | |
| 32 | P | A | -1.0591 | |
| 33 | E | A | -2.0465 | |
| 34 | K | A | -1.7315 | |
| 35 | V | A | 0.4827 | |
| 36 | A | A | 0.3345 | |
| 37 | G | A | 0.0155 | |
| 38 | M | A | -0.4005 | |
| 39 | E | A | -1.8637 | |
| 40 | P | A | -2.2816 | |
| 41 | D | A | -3.6181 | |
| 42 | R | A | -4.0413 | |
| 43 | E | A | -3.7548 | |
| 44 | N | A | -2.6834 | |
| 45 | S | A | -1.3436 | |
| 46 | S | A | -0.9786 | |
| 47 | T | A | -1.5742 | |
| 48 | D | A | -3.0331 | |
| 49 | D | A | -3.2102 | |
| 50 | N | A | -2.1369 | |
| 51 | L | A | -0.5161 | |
| 52 | K | A | -2.0231 | |
| 53 | T | A | -2.0489 | |
| 54 | D | A | -3.5529 | |
| 55 | E | A | -4.2193 | |
| 56 | R | A | -4.0478 | |
| 57 | K | A | -3.5546 | |
| 58 | S | A | -2.3815 | |
| 59 | E | A | -1.9418 | |
| 60 | A | A | 0.3121 | |
| 61 | L | A | 1.8274 | |
| 62 | L | A | 2.4248 | |
| 63 | G | A | 1.6369 | |
| 64 | F | A | 2.3545 | |
| 65 | S | A | 1.2755 | |
| 66 | V | A | 0.9831 | |
| 67 | E | A | -1.6944 | |
| 68 | N | A | -1.8606 | |
| 69 | A | A | -0.8689 | |
| 70 | A | A | -0.1627 | |
| 71 | A | A | -0.1967 | |
| 72 | T | A | -0.2346 | |
| 73 | Q | A | -0.3602 | |
| 74 | V | A | 1.0665 | |
| 75 | T | A | 0.1856 | |
| 76 | S | A | -0.5848 | |
| 77 | A | A | -1.3207 | |
| 78 | K | A | -2.5112 | |
| 79 | E | A | -2.3976 | |
| 80 | I | A | -1.2705 | |
| 81 | P | A | -1.2234 | |
| 82 | C | A | -0.8104 | |
| 83 | N | A | -1.4526 | |
| 84 | E | A | -1.4402 | |
| 85 | C | A | 0.0000 | |
| 86 | A | A | -0.1748 | |
| 87 | T | A | -0.4854 | |
| 88 | S | A | -0.4775 | |
| 89 | F | A | -0.2348 | |
| 90 | P | A | -0.2707 | |
| 91 | S | A | -0.0338 | |
| 92 | L | A | 0.6991 | |
| 93 | Q | A | -1.1069 | |
| 94 | K | A | -1.5459 | |
| 95 | Y | A | -0.1725 | |
| 96 | M | A | -0.2023 | |
| 97 | E | A | -2.0011 | |
| 98 | H | A | -1.5119 | |
| 99 | H | A | -1.3582 | |
| 100 | C | A | -1.2639 | |
| 101 | P | A | -1.3512 | |
| 102 | N | A | -1.5845 | |
| 103 | A | A | -1.1844 | |
| 104 | R | A | -1.5661 | |
| 105 | L | A | 0.8393 | |
| 106 | P | A | 1.3537 | |
| 107 | V | A | 2.4427 | |
| 108 | L | A | 1.3794 | |
| 109 | K | A | -1.8082 | |
| 110 | D | A | -3.4758 | |
| 111 | D | A | -4.0825 | |
| 112 | N | A | -3.4875 | |
| 113 | E | A | -3.2843 | |
| 114 | S | A | -1.8270 | |
| 115 | E | A | -1.3641 | |
| 116 | I | A | 0.7313 | |
| 117 | S | A | -0.2513 | |
| 118 | E | A | -1.3261 | |
| 119 | L | A | -0.5001 | |
| 120 | E | A | -2.5326 | |
| 121 | D | A | -2.7595 | |
| 122 | S | A | -1.8932 | |
| 123 | D | A | -1.5717 | |
| 124 | V | A | -0.7621 | |
| 125 | E | A | -2.2073 | |
| 126 | N | A | -1.9397 | |
| 127 | L | A | -1.6106 | |
| 128 | T | A | -2.1956 | |
| 129 | G | A | -1.8341 | |
| 130 | E | A | -1.6455 | |
| 131 | I | A | 0.1912 | |
| 132 | V | A | 1.1947 | |
| 133 | Y | A | 0.8162 | |
| 134 | Q | A | -0.7034 | |
| 135 | P | A | -1.3027 | |
| 136 | D | A | -2.1718 | |
| 137 | G | A | -1.4275 | |
| 138 | S | A | -0.6836 | |
| 139 | A | A | 0.5308 | |
| 140 | Y | A | 0.6036 | |
| 141 | I | A | 0.2244 | |
| 142 | I | A | -0.2297 | |
| 143 | E | A | -2.9063 | |
| 144 | D | A | -3.5072 | |
| 145 | S | A | -2.7424 | |
| 146 | K | A | -3.5607 | |
| 147 | E | A | -3.5719 | |
| 148 | S | A | -2.1413 | |
| 149 | G | A | -2.0625 | |
| 150 | Q | A | -2.4424 | |
| 151 | N | A | -2.2344 | |
| 152 | A | A | -1.4016 | |
| 153 | Q | A | -1.5515 | |
| 154 | T | A | -0.8875 | |
| 155 | G | A | -1.0011 | |
| 156 | A | A | -0.8996 | |
| 157 | N | A | -1.7745 | |
| 158 | S | A | -1.2649 | |
| 159 | K | A | -0.7340 | |
| 160 | L | A | 1.4138 | |
| 161 | F | A | 2.2027 | |
| 162 | S | A | 0.8672 | |
| 163 | T | A | 0.4872 | |
| 164 | A | A | 0.9176 | |
| 165 | M | A | 2.4826 | |
| 166 | F | A | 2.8860 | |
| 167 | L | A | 1.6781 | |
| 168 | D | A | -0.3351 | |
| 169 | S | A | 0.0353 | |
| 170 | L | A | 1.0859 | |
| 171 | A | A | 0.6574 | |
| 172 | S | A | 0.0766 | |
| 173 | A | A | -0.8401 | |
| 174 | G | A | -1.9480 | |
| 175 | E | A | -3.2207 | |
| 176 | K | A | -3.2997 | |
| 177 | S | A | -2.5374 | |
| 178 | D | A | -3.0922 | |
| 179 | Q | A | -2.2587 | |
| 180 | S | A | -1.3292 | |
| 181 | A | A | -0.5964 | |
| 182 | S | A | -0.2674 | |
| 183 | A | A | 0.0455 | |
| 184 | P | A | 0.4203 | |
| 185 | M | A | 1.5209 | |
| 186 | S | A | 1.4958 | |
| 187 | F | A | 2.5313 | |
| 188 | Y | A | 2.1394 | |
| 189 | P | A | 0.7143 | |
| 190 | Q | A | 0.2632 | |
| 191 | I | A | 1.4030 | |
| 192 | I | A | 1.0384 | |
| 193 | N | A | 0.4312 | |
| 194 | T | A | 0.5937 | |
| 195 | F | A | 1.1875 | |
| 196 | H | A | 0.5335 | |
| 197 | I | A | 1.8242 | |
| 198 | A | A | 0.8137 | |
| 199 | S | A | 0.2782 | |
| 200 | S | A | 0.3403 | |
| 201 | L | A | 0.7597 | |
| 202 | G | A | -0.4783 | |
| 203 | K | A | -1.2859 | |
| 204 | P | A | -0.0995 | |
| 205 | F | A | 1.3606 | |
| 206 | T | A | 0.4796 | |
| 207 | A | A | -0.7595 | |
| 208 | D | A | -2.3356 | |
| 209 | Q | A | -1.5984 | |
| 210 | A | A | -0.0787 | |
| 211 | F | A | 1.2780 | |
| 212 | P | A | 0.1411 | |
| 213 | N | A | -1.0319 | |
| 214 | T | A | -0.5591 | |
| 215 | S | A | -0.1916 | |
| 216 | A | A | 0.5044 | |
| 217 | L | A | 1.6823 | |
| 218 | A | A | 0.9410 | |
| 219 | G | A | 0.5365 | |
| 220 | V | A | 1.7464 | |
| 221 | G | A | 0.6648 | |
| 222 | P | A | 1.1864 | |
| 223 | V | A | 2.1826 | |
| 224 | L | A | 0.9801 | |
| 225 | H | A | -0.6710 | |
| 226 | S | A | -1.2764 | |
| 227 | F | A | -1.3071 | |
| 228 | R | A | -1.9264 | |
| 229 | V | A | 0.0382 | |
| 230 | Y | A | -0.0266 | |
| 231 | D | A | -0.2654 | |
| 232 | L | A | -0.9647 | |
| 233 | R | A | -1.3407 | |
| 234 | H | A | -2.6024 | |
| 235 | K | A | -3.3342 | |
| 236 | R | A | -4.1416 | |
| 237 | E | A | -3.9872 | |
| 238 | K | A | -3.3585 | |
| 239 | D | A | -2.4064 | |
| 240 | Y | A | -1.3136 | |
| 241 | L | A | -0.6732 | |
| 242 | T | A | -0.9436 | |
| 243 | S | A | -1.0586 | |
| 244 | D | A | -2.0925 | |
| 245 | G | A | -1.8142 | |
| 246 | S | A | -1.9742 | |
| 247 | A | A | -1.6536 | |
| 248 | K | A | -1.6174 | |
| 249 | N | A | -1.2307 | |
| 250 | S | A | -0.5706 | |
| 251 | C | A | 0.0000 | |
| 252 | V | A | -0.2858 | |
| 253 | S | A | -1.2854 | |
| 254 | K | A | -2.4802 | |
| 255 | D | A | -2.6425 | |
| 256 | V | A | -1.8568 | |
| 257 | P | A | -1.6832 | |
| 258 | N | A | -2.2566 | |
| 259 | N | A | -2.0986 | |
| 260 | V | A | -1.7042 | |
| 261 | D | A | -2.3564 | |
| 262 | L | A | -1.6726 | |
| 263 | S | A | -1.9783 | |
| 264 | K | A | -3.1400 | |
| 265 | F | A | 0.0000 | |
| 266 | D | A | -2.6679 | |
| 267 | G | A | -1.5576 | |
| 268 | C | A | -0.3459 | |
| 269 | V | A | -1.2165 | |
| 270 | S | A | -1.5435 | |
| 271 | D | A | -2.8395 | |
| 272 | G | A | -2.7884 | |
| 273 | K | A | -3.5979 | |
| 274 | R | A | -3.5299 | |
| 275 | K | A | -2.9792 | |
| 276 | P | A | 0.0000 | |
| 277 | V | A | 0.1856 | |
| 278 | L | A | 0.0000 | |
| 279 | M | A | 0.0540 | |
| 280 | C | A | 0.0000 | |
| 281 | F | A | 0.2807 | |
| 282 | L | A | 0.2058 | |
| 283 | C | A | -0.0664 | |
| 284 | K | A | -1.0973 | |
| 285 | L | A | -0.5735 | |
| 286 | S | A | -0.5770 | |
| 287 | F | A | 0.0000 | |
| 288 | G | A | -0.6166 | |
| 289 | Y | A | -0.2742 | |
| 290 | I | A | 0.0000 | |
| 291 | R | A | -1.5330 | |
| 292 | S | A | -0.3432 | |
| 293 | F | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | T | A | -0.9704 | |
| 296 | H | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | H | A | -2.3086 | |
| 300 | D | A | -2.5669 | |
| 301 | H | A | -1.5381 | |
| 302 | R | A | -2.3683 | |
| 303 | M | A | 0.0000 | |
| 304 | T | A | -0.7356 | |
| 305 | L | A | 0.0000 | |
| 306 | N | A | -2.0150 | |
| 307 | D | A | -3.0835 | |
| 308 | E | A | -2.7080 | |
| 309 | E | A | 0.0000 | |
| 310 | Q | A | -2.7083 | |
| 311 | K | A | -3.1179 | |
| 312 | L | A | -1.5811 | |
| 313 | L | A | 0.0000 | |
| 314 | S | A | -2.4033 | |
| 315 | N | A | -2.1101 | |
| 316 | K | A | -1.8864 | |
| 317 | C | A | -0.9555 | |
| 318 | V | A | -0.4893 | |
| 319 | S | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | I | A | 0.0000 | |
| 322 | I | A | 0.0000 | |
| 323 | Q | A | -0.4036 | |
| 324 | G | A | -1.4932 | |
| 325 | I | A | 0.0000 | |
| 326 | G | A | -2.2277 | |
| 327 | K | A | -3.4485 | |
| 328 | D | A | -3.6120 | |
| 329 | K | A | -3.2907 | |
| 330 | E | A | -1.9091 | |
| 331 | P | A | -0.8806 | |
| 332 | L | A | 0.0000 | |
| 333 | I | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | F | A | 0.0000 | |
| 336 | L | A | -0.2187 | |
| 337 | E | A | -1.4459 | |
| 338 | P | A | -1.9533 | |
| 339 | K | A | -3.1732 | |
| 340 | K | A | -3.0410 | |
| 341 | S | A | -1.3412 | |
| 342 | T | A | -0.3301 | |
| 343 | S | A | 0.6238 | |
| 344 | V | A | 2.0113 | |
| 345 | Y | A | 1.9819 | |
| 346 | P | A | 1.0024 | |
| 347 | H | A | 0.5322 | |
| 348 | F | A | 1.4292 | |
| 349 | S | A | 0.0840 | |
| 350 | T | A | 0.1306 | |
| 351 | T | A | 0.0816 | |
| 352 | N | A | 0.0019 | |
| 353 | L | A | 1.7315 | |
| 354 | I | A | 1.7510 | |
| 355 | G | A | -0.0021 | |
| 356 | P | A | -0.9106 | |
| 357 | D | A | -1.8868 | |
| 358 | P | A | -0.6729 | |
| 359 | T | A | -0.0097 | |
| 360 | F | A | 1.0316 | |
| 361 | R | A | -0.6765 | |
| 362 | G | A | 0.2554 | |
| 363 | L | A | 1.5794 | |
| 364 | W | A | 1.7230 | |
| 365 | S | A | 1.0358 | |
| 366 | A | A | 1.4440 | |
| 367 | F | A | 1.8160 | |
| 368 | H | A | 0.2021 | |
| 369 | V | A | 0.5300 | |
| 370 | E | A | -1.9459 | |
| 371 | N | A | -2.6088 | |
| 372 | G | A | -2.0536 | |
| 373 | D | A | -2.3741 | |
| 374 | S | A | -0.6554 | |
| 375 | L | A | 0.9171 | |
| 376 | P | A | 0.5202 | |
| 377 | A | A | 0.4716 | |
| 378 | G | A | 0.6576 | |
| 379 | F | A | 2.1333 | |
| 380 | A | A | 2.1660 | |
| 381 | F | A | 2.7095 | |
| 382 | L | A | 1.5320 | |
| 383 | K | A | -0.7901 | |
| 384 | G | A | -1.0576 | |
| 385 | S | A | -0.8293 | |
| 386 | A | A | -0.2670 | |
| 387 | S | A | -0.3083 | |
| 388 | T | A | -0.3196 | |
| 389 | S | A | -0.4579 | |
| 390 | S | A | -0.4468 | |
| 391 | S | A | -0.7323 | |
| 392 | A | A | -1.3379 | |
| 393 | E | A | -2.4513 | |
| 394 | Q | A | -1.8988 | |
| 395 | P | A | -0.5281 | |
| 396 | L | A | 1.3655 | |
| 397 | G | A | 1.2689 | |
| 398 | I | A | 1.8269 | |
| 399 | T | A | 0.5767 | |
| 400 | Q | A | -0.4905 | |
| 401 | M | A | -0.1509 | |
| 402 | P | A | -0.8279 | |
| 403 | K | A | -2.0245 | |
| 404 | A | A | -1.2832 | |
| 405 | E | A | -1.2954 | |
| 406 | V | A | 0.4969 | |
| 407 | N | A | -0.0550 | |
| 408 | L | A | 0.7085 | |
| 409 | G | A | 0.0740 | |
| 410 | G | A | 0.2920 | |
| 411 | L | A | 1.0594 | |
| 412 | S | A | 0.7629 | |
| 413 | S | A | 1.1788 | |
| 414 | L | A | 2.7419 | |
| 415 | V | A | 3.1449 | |
| 416 | V | A | 2.3563 | |
| 417 | N | A | -0.1333 | |
| 418 | T | A | -0.1005 | |
| 419 | P | A | 0.3993 | |
| 420 | I | A | 1.8009 | |
| 421 | T | A | 1.0923 | |
| 422 | S | A | 0.9823 | |
| 423 | V | A | 1.8791 | |
| 424 | S | A | 1.3070 | |
| 425 | L | A | 1.5229 | |
| 426 | S | A | -0.0466 | |
| 427 | H | A | -0.9405 | |
| 428 | S | A | -0.8932 | |
| 429 | S | A | -0.9917 | |
| 430 | S | A | -1.2881 | |
| 431 | E | A | -2.1229 | |
| 432 | S | A | -1.7003 | |
| 433 | S | A | -1.4393 | |
| 434 | K | A | -1.4111 | |
| 435 | M | A | -0.3616 | |
| 436 | S | A | -0.9983 | |
| 437 | E | A | -2.1368 | |
| 438 | S | A | -2.5618 | |
| 439 | K | A | -3.4951 | |
| 440 | D | A | -3.7722 | |
| 441 | Q | A | -3.7170 | |
| 442 | E | A | -3.7077 | |
| 443 | N | A | -2.9985 | |
| 444 | N | A | -2.2947 | |
| 445 | C | A | -1.4856 | |
| 446 | E | A | -2.6000 | |
| 447 | R | A | -3.0304 | |
| 448 | P | A | -2.7470 | |
| 449 | K | A | -3.1358 | |
| 450 | E | A | -3.0636 | |
| 451 | S | A | -1.4931 | |
| 452 | N | A | -0.5559 | |
| 453 | V | A | 1.7852 | |
| 454 | L | A | 1.5835 | |
| 455 | H | A | -0.4134 | |
| 456 | P | A | -1.2392 | |
| 457 | N | A | -2.1016 | |
| 458 | G | A | -1.9385 | |
| 459 | E | A | -1.9596 | |
| 460 | C | A | -0.1416 | |
| 461 | P | A | 0.1866 | |
| 462 | V | A | 0.8132 | |
| 463 | K | A | -1.2343 | |
| 464 | S | A | -1.6306 | |
| 465 | E | A | -2.4080 | |
| 466 | P | A | -1.7210 | |
| 467 | T | A | -1.6218 | |
| 468 | E | A | -2.1671 | |
| 469 | P | A | -1.8827 | |
| 470 | G | A | -2.3924 | |
| 471 | D | A | -3.3326 | |
| 472 | E | A | -4.1324 | |
| 473 | D | A | -4.3622 | |
| 474 | E | A | -4.3255 | |
| 475 | E | A | -4.0410 | |
| 476 | D | A | -2.9177 | |
| 477 | A | A | -0.5601 | |
| 478 | Y | A | 0.6170 | |
| 479 | S | A | -0.6036 | |
| 480 | N | A | -1.6386 | |
| 481 | E | A | -2.1302 | |
| 482 | L | A | -0.8657 | |
| 483 | D | A | -2.9597 | |
| 484 | D | A | -3.7656 | |
| 485 | E | A | -3.8797 | |
| 486 | E | A | -2.2969 | |
| 487 | V | A | 1.2806 | |
| 488 | L | A | 1.4956 | |
| 489 | G | A | 0.0054 | |
| 490 | E | A | -1.0870 | |
| 491 | L | A | -0.0111 | |
| 492 | T | A | -0.8096 | |
| 493 | D | A | -1.3487 | |
| 494 | S | A | -0.3397 | |
| 495 | I | A | 0.9847 | |
| 496 | G | A | -0.2974 | |
| 497 | N | A | -2.2258 | |
| 498 | K | A | -2.8839 | |
| 499 | D | A | -1.9194 | |
| 500 | F | A | 0.8348 | |
| 501 | P | A | 1.3359 | |
| 502 | L | A | 2.2925 | |
| 503 | L | A | 1.2785 | |
| 504 | N | A | -0.8524 | |
| 505 | Q | A | -1.2276 | |
| 506 | S | A | -0.1332 | |
| 507 | I | A | 1.5060 | |
| 508 | S | A | 0.8285 | |
| 509 | P | A | 0.7274 | |
| 510 | L | A | 1.2192 | |
| 511 | S | A | 0.4935 | |
| 512 | S | A | 0.4860 | |
| 513 | S | A | 0.8307 | |
| 514 | V | A | 2.0093 | |
| 515 | L | A | 1.9220 | |
| 516 | K | A | 0.7294 | |
| 517 | F | A | 2.0159 | |
| 518 | I | A | 1.2851 | |
| 519 | E | A | -1.5404 | |
| 520 | K | A | -2.4339 | |
| 521 | G | A | -1.5774 | |
| 522 | T | A | -0.8054 | |
| 523 | S | A | -0.4922 | |
| 524 | S | A | -0.4771 | |
| 525 | S | A | -0.4545 | |
| 526 | S | A | -0.3531 | |
| 527 | A | A | 0.2053 | |
| 528 | T | A | 0.7006 | |
| 529 | V | A | 1.2624 | |
| 530 | S | A | -0.4762 | |
| 531 | D | A | -2.4313 | |
| 532 | D | A | -3.0964 | |
| 533 | T | A | -2.5107 | |
| 534 | E | A | -3.4938 | |
| 535 | K | A | -3.8925 | |
| 536 | K | A | -4.1025 | |
| 537 | K | A | -3.5567 | |
| 538 | Q | A | -2.3815 | |
| 539 | T | A | -1.2528 | |
| 540 | A | A | -0.0194 | |
| 541 | A | A | 0.4024 | |
| 542 | V | A | 0.8448 | |
| 543 | R | A | -0.9016 | |
| 544 | A | A | -0.6375 | |
| 545 | S | A | -0.8123 | |
| 546 | G | A | -0.3147 | |
| 547 | S | A | 0.3802 | |
| 548 | V | A | 1.5653 | |
| 549 | A | A | 0.4964 | |
| 550 | S | A | -0.1659 | |
| 551 | N | A | -0.8344 | |
| 552 | Y | A | 0.8247 | |
| 553 | G | A | 0.8825 | |
| 554 | I | A | 1.8879 | |
| 555 | S | A | -0.1651 | |
| 556 | G | A | -1.5729 | |
| 557 | K | A | -2.4774 | |
| 558 | D | A | -1.7758 | |
| 559 | F | A | 0.3747 | |
| 560 | A | A | -0.1983 | |
| 561 | D | A | -1.3718 | |
| 562 | A | A | -0.8869 | |
| 563 | S | A | -0.6268 | |
| 564 | A | A | -0.5087 | |
| 565 | S | A | -1.5641 | |
| 566 | K | A | -2.7058 | |
| 567 | D | A | -2.7446 | |
| 568 | S | A | -1.4715 | |
| 569 | A | A | -0.4840 | |
| 570 | T | A | -0.0510 | |
| 571 | A | A | -0.1314 | |
| 572 | A | A | -0.4413 | |
| 573 | H | A | -1.1388 | |
| 574 | P | A | -1.4676 | |
| 575 | S | A | -1.0571 | |
| 576 | E | A | -0.9741 | |
| 577 | I | A | 0.7539 | |
| 578 | A | A | -0.3465 | |
| 579 | R | A | -2.0707 | |
| 580 | G | A | -2.9132 | |
| 581 | D | A | -3.8098 | |
| 582 | E | A | -3.8812 | |
| 583 | D | A | -3.3808 | |
| 584 | S | A | -1.5123 | |
| 585 | S | A | -0.6711 | |
| 586 | A | A | -0.1934 | |
| 587 | T | A | -0.4032 | |
| 588 | P | A | -0.9858 | |
| 589 | H | A | -1.9725 | |
| 590 | Q | A | -2.3507 | |
| 591 | H | A | -1.6076 | |
| 592 | G | A | -0.3619 | |
| 593 | F | A | 1.4324 | |
| 594 | T | A | 0.6394 | |
| 595 | P | A | -0.0238 | |
| 596 | S | A | -0.4309 | |
| 597 | T | A | -0.4495 | |
| 598 | P | A | -0.5700 | |
| 599 | G | A | -0.6951 | |
| 600 | T | A | -0.6326 | |
| 601 | P | A | -0.6758 | |
| 602 | G | A | -0.8118 | |
| 603 | P | A | -1.0475 | |
| 604 | G | A | -1.2887 | |
| 605 | G | A | -1.7057 | |
| 606 | D | A | -2.4098 | |
| 607 | G | A | -1.5841 | |
| 608 | S | A | -1.0317 | |
| 609 | P | A | -0.7910 | |
| 610 | G | A | -0.6563 | |
| 611 | S | A | -0.5059 | |
| 612 | G | A | -0.3337 | |
| 613 | I | A | 0.8206 | |
| 614 | E | A | -1.3719 | |
| 615 | C | A | -1.0848 | |
| 616 | P | A | -1.2347 | |
| 617 | K | A | -1.5388 | |
| 618 | C | A | -0.3099 | |
| 619 | D | A | -0.8490 | |
| 620 | T | A | 0.1465 | |
| 621 | V | A | 1.6760 | |
| 622 | L | A | 1.3741 | |
| 623 | G | A | 0.1427 | |
| 624 | S | A | -0.3313 | |
| 625 | S | A | -0.8531 | |
| 626 | R | A | -1.6843 | |
| 627 | S | A | -0.5386 | |
| 628 | L | A | 0.4690 | |
| 629 | G | A | -0.1736 | |
| 630 | G | A | -0.6399 | |
| 631 | H | A | -0.3699 | |
| 632 | M | A | 0.7823 | |
| 633 | T | A | 0.7253 | |
| 634 | M | A | 1.3793 | |
| 635 | M | A | 0.8276 | |
| 636 | H | A | -0.8464 | |
| 637 | S | A | -1.5310 | |
| 638 | R | A | -2.5513 | |
| 639 | N | A | -2.4917 | |
| 640 | S | A | -1.6482 | |
| 641 | C | A | -1.2628 | |
| 642 | K | A | -2.0140 | |
| 643 | T | A | -1.6034 | |
| 644 | L | A | -1.3640 | |
| 645 | K | A | -2.1895 | |
| 646 | C | A | 0.0000 | |
| 647 | P | A | -1.4632 | |
| 648 | K | A | -2.2195 | |
| 649 | C | A | -1.5472 | |
| 650 | N | A | -1.4942 | |
| 651 | W | A | -0.3507 | |
| 652 | H | A | -1.4434 | |
| 653 | Y | A | -1.4009 | |
| 654 | K | A | -1.8106 | |
| 655 | Y | A | -0.5899 | |
| 656 | Q | A | -1.6229 | |
| 657 | Q | A | -1.7391 | |
| 658 | T | A | -1.2923 | |
| 659 | L | A | 0.0000 | |
| 660 | E | A | -2.4481 | |
| 661 | A | A | -2.2834 | |
| 662 | H | A | 0.0000 | |
| 663 | M | A | -2.9663 | |
| 664 | K | A | -3.7340 | |
| 665 | E | A | -3.8576 | |
| 666 | K | A | -3.6345 | |
| 667 | H | A | -2.9895 | |
| 668 | P | A | -2.9185 | |
| 669 | E | A | -3.0192 | |
| 670 | P | A | -1.5707 | |
| 671 | G | A | -1.4414 | |
| 672 | G | A | -1.0197 | |
| 673 | S | A | -0.4311 | |
| 674 | C | A | 0.0000 | |
| 675 | V | A | 1.2454 | |
| 676 | Y | A | 0.4309 | |
| 677 | C | A | 0.2050 | |
| 678 | K | A | -1.0422 | |
| 679 | T | A | -0.7057 | |
| 680 | G | A | -1.0566 | |
| 681 | Q | A | -1.3543 | |
| 682 | P | A | -1.0910 | |
| 683 | H | A | -0.6325 | |
| 684 | P | A | -1.2019 | |
| 685 | R | A | -2.2358 | |
| 686 | L | A | -1.5144 | |
| 687 | A | A | -1.7719 | |
| 688 | R | A | -2.6911 | |
| 689 | G | A | -2.1939 | |
| 690 | E | A | -2.6999 | |
| 691 | S | A | -1.5474 | |
| 692 | Y | A | -0.0220 | |
| 693 | T | A | 0.0412 | |
| 694 | C | A | 0.4204 | |
| 695 | G | A | -0.2471 | |
| 696 | Y | A | 0.1691 | |
| 697 | K | A | -1.1105 | |
| 698 | P | A | -1.3387 | |
| 699 | F | A | -1.7059 | |
| 700 | R | A | -2.6904 | |
| 701 | C | A | 0.0000 | |
| 702 | E | A | -2.1997 | |
| 703 | V | A | -0.3144 | |
| 704 | C | A | -0.9467 | |
| 705 | N | A | -1.7741 | |
| 706 | Y | A | -0.9158 | |
| 707 | S | A | -1.3787 | |
| 708 | T | A | 0.0000 | |
| 709 | T | A | -1.6702 | |
| 710 | T | A | -1.7007 | |
| 711 | K | A | -1.9001 | |
| 712 | G | A | -0.7832 | |
| 713 | N | A | -0.5446 | |
| 714 | L | A | -0.6116 | |
| 715 | S | A | -0.0949 | |
| 716 | I | A | 0.8724 | |
| 717 | H | A | -0.1546 | |
| 718 | M | A | 0.0531 | |
| 719 | Q | A | -0.9661 | |
| 720 | S | A | -1.3705 | |
| 721 | D | A | -2.9794 | |
| 722 | K | A | -2.9756 | |
| 723 | H | A | 0.0000 | |
| 724 | L | A | -1.3758 | |
| 725 | N | A | -2.4525 | |
| 726 | N | A | -2.1110 | |
| 727 | V | A | -0.9698 | |
| 728 | Q | A | -1.9825 | |
| 729 | N | A | -2.1319 | |
| 730 | L | A | -0.7128 | |
| 731 | Q | A | -2.2696 | |
| 732 | N | A | -2.5626 | |
| 733 | G | A | -2.3345 | |
| 734 | N | A | -2.6982 | |
| 735 | G | A | -2.6389 | |
| 736 | E | A | -2.6203 | |
| 737 | Q | A | -1.2250 | |
| 738 | V | A | 1.6087 | |
| 739 | F | A | 2.0217 | |
| 740 | G | A | 0.4572 | |
| 741 | H | A | -0.8663 | |
| 742 | S | A | -0.6088 | |
| 743 | A | A | -0.4317 | |
| 744 | P | A | -0.4496 | |
| 745 | A | A | -0.4506 | |
| 746 | P | A | -0.9145 | |
| 747 | N | A | -1.4912 | |
| 748 | T | A | -0.5275 | |
| 749 | S | A | 0.2134 | |
| 750 | L | A | 1.2256 | |
| 751 | S | A | 0.4740 | |
| 752 | G | A | -0.0092 | |
| 753 | C | A | 0.2213 | |
| 754 | G | A | -0.3044 | |
| 755 | T | A | -0.3564 | |
| 756 | P | A | -0.5499 | |
| 757 | S | A | -0.5233 | |
| 758 | P | A | -0.8904 | |
| 759 | S | A | -1.4453 | |
| 760 | K | A | -2.5788 | |
| 761 | P | A | -2.4573 | |
| 762 | K | A | -3.3103 | |
| 763 | Q | A | -3.2156 | |
| 764 | K | A | -3.1032 | |
| 765 | P | A | -1.9102 | |
| 766 | T | A | -1.5827 | |
| 767 | W | A | -1.5691 | |
| 768 | R | A | -2.8375 | |
| 769 | C | A | 0.0000 | |
| 770 | E | A | -2.1572 | |
| 771 | V | A | -0.9389 | |
| 772 | C | A | -1.7606 | |
| 773 | D | A | -2.4192 | |
| 774 | Y | A | -1.5694 | |
| 775 | E | A | -2.3212 | |
| 776 | T | A | -1.4516 | |
| 777 | N | A | -1.9701 | |
| 778 | V | A | -1.1267 | |
| 779 | A | A | -1.3495 | |
| 780 | R | A | -2.1729 | |
| 781 | N | A | -1.2348 | |
| 782 | L | A | -1.2719 | |
| 783 | R | A | -1.4530 | |
| 784 | I | A | 0.4916 | |
| 785 | H | A | -0.6682 | |
| 786 | M | A | -0.3307 | |
| 787 | T | A | -0.2931 | |
| 788 | S | A | -1.1267 | |
| 789 | E | A | -2.7184 | |
| 790 | K | A | -2.7625 | |
| 791 | H | A | 0.0000 | |
| 792 | M | A | -0.4707 | |
| 793 | H | A | -1.4069 | |
| 794 | N | A | -0.9433 | |
| 795 | M | A | -0.2008 | |
| 796 | M | A | 0.3907 | |
| 797 | L | A | 0.5640 | |
| 798 | L | A | 0.0113 | |
| 799 | Q | A | -1.3233 | |
| 800 | Q | A | -1.8162 | |
| 801 | N | A | -1.8690 | |
| 802 | M | A | -1.4109 | |
| 803 | K | A | -2.7633 | |
| 804 | Q | A | -2.8140 | |
| 805 | I | A | -1.5330 | |
| 806 | Q | A | -2.1869 | |
| 807 | H | A | -2.4295 | |
| 808 | N | A | -1.7277 | |
| 809 | L | A | -0.6981 | |
| 810 | H | A | -0.7222 | |
| 811 | L | A | 0.6400 | |
| 812 | G | A | 0.5262 | |
| 813 | L | A | 0.9398 | |
| 814 | A | A | 0.0408 | |
| 815 | P | A | -0.6677 | |
| 816 | A | A | -0.6147 | |
| 817 | E | A | -1.2223 | |
| 818 | A | A | -0.5567 | |
| 819 | E | A | -0.6979 | |
| 820 | L | A | 1.2476 | |
| 821 | Y | A | 1.6849 | |
| 822 | Q | A | 0.3180 | |
| 823 | Y | A | 1.7051 | |
| 824 | Y | A | 2.2242 | |
| 825 | L | A | 1.6406 | |
| 826 | A | A | 1.0913 | |
| 827 | Q | A | -0.1472 | |
| 828 | N | A | 0.0735 | |
| 829 | I | A | 1.3596 | |
| 830 | G | A | 0.5641 | |
| 831 | L | A | 1.3831 | |
| 832 | T | A | 0.8477 | |
| 833 | G | A | 0.1225 | |
| 834 | M | A | 0.3710 | |
| 835 | K | A | -0.9801 | |
| 836 | L | A | -0.2620 | |
| 837 | E | A | -2.0479 | |
| 838 | N | A | -1.9363 | |
| 839 | P | A | -1.4407 | |
| 840 | A | A | -1.2229 | |
| 841 | D | A | -2.1709 | |
| 842 | P | A | -1.3999 | |
| 843 | Q | A | -0.7183 | |
| 844 | L | A | 1.8907 | |
| 845 | M | A | 2.4003 | |
| 846 | I | A | 2.2780 | |
| 847 | N | A | 0.1166 | |
| 848 | P | A | 0.4568 | |
| 849 | F | A | 1.0424 | |
| 850 | Q | A | -0.2715 | |
| 851 | L | A | 0.4447 | |
| 852 | D | A | -1.2803 | |
| 853 | P | A | -0.8511 | |
| 854 | A | A | -0.4125 | |
| 855 | T | A | -0.1491 | |
| 856 | A | A | 0.2930 | |
| 857 | A | A | 0.4793 | |
| 858 | A | A | 0.8416 | |
| 859 | L | A | 1.5666 | |
| 860 | A | A | 0.6047 | |
| 861 | P | A | 0.1754 | |
| 862 | G | A | -0.1158 | |
| 863 | L | A | 0.6364 | |
| 864 | G | A | -0.3551 | |
| 865 | E | A | -1.0490 | |
| 866 | L | A | 0.5318 | |
| 867 | S | A | 0.5421 | |
| 868 | P | A | 1.0832 | |
| 869 | Y | A | 2.0490 | |
| 870 | I | A | 2.0554 | |
| 871 | S | A | 0.4592 | |
| 872 | D | A | -0.6346 | |
| 873 | P | A | -0.7936 | |
| 874 | A | A | -0.6037 | |
| 875 | L | A | -0.9401 | |
| 876 | K | A | -1.2397 | |
| 877 | L | A | -1.0574 | |
| 878 | F | A | 0.0000 | |
| 879 | Q | A | -0.8915 | |
| 880 | C | A | 0.0000 | |
| 881 | A | A | -0.6783 | |
| 882 | V | A | 0.0000 | |
| 883 | C | A | 0.0000 | |
| 884 | N | A | -1.8243 | |
| 885 | K | A | -2.0896 | |
| 886 | F | A | -0.8265 | |
| 887 | T | A | -0.9176 | |
| 888 | S | A | 0.0000 | |
| 889 | D | A | -2.1066 | |
| 890 | S | A | -1.4834 | |
| 891 | L | A | -1.3805 | |
| 892 | E | A | -1.6352 | |
| 893 | A | A | -0.4694 | |
| 894 | L | A | 0.0000 | |
| 895 | S | A | 0.0642 | |
| 896 | V | A | 1.0613 | |
| 897 | H | A | 0.4025 | |
| 898 | V | A | 0.3991 | |
| 899 | S | A | -0.0180 | |
| 900 | S | A | -0.5998 | |
| 901 | E | A | -1.8928 | |
| 902 | R | A | -1.3834 | |
| 903 | S | A | -1.0286 | |
| 904 | L | A | 0.0000 | |
| 905 | P | A | -2.2289 | |
| 906 | E | A | -3.5565 | |
| 907 | E | A | -3.7141 | |
| 908 | E | A | -3.4863 | |
| 909 | W | A | -2.7169 | |
| 910 | R | A | -2.4331 | |
| 911 | A | A | -0.5578 | |
| 912 | V | A | 1.2823 | |
| 913 | I | A | 1.7176 | |
| 914 | G | A | 0.0373 | |
| 915 | D | A | -1.2845 | |
| 916 | I | A | -0.1727 | |
| 917 | Y | A | -0.4034 | |
| 918 | Q | A | -1.0001 | |
| 919 | C | A | 0.0000 | |
| 920 | K | A | -2.3199 | |
| 921 | L | A | -0.9431 | |
| 922 | C | A | -1.1068 | |
| 923 | N | A | -1.7467 | |
| 924 | Y | A | -1.0231 | |
| 925 | N | A | -1.2746 | |
| 926 | T | A | -1.0622 | |
| 927 | Q | A | -1.3387 | |
| 928 | L | A | -0.5577 | |
| 929 | K | A | -1.5348 | |
| 930 | A | A | -0.6517 | |
| 931 | N | A | -0.8107 | |
| 932 | F | A | 0.0000 | |
| 933 | Q | A | -1.0877 | |
| 934 | L | A | 0.1944 | |
| 935 | H | A | 0.0000 | |
| 936 | C | A | -1.0789 | |
| 937 | K | A | -1.9936 | |
| 938 | T | A | -1.9898 | |
| 939 | D | A | -3.1421 | |
| 940 | K | A | -3.0213 | |
| 941 | H | A | 0.0000 | |
| 942 | M | A | -1.6372 | |
| 943 | Q | A | -2.0198 | |
| 944 | K | A | -1.4114 | |
| 945 | Y | A | -0.7387 | |
| 946 | Q | A | -1.0817 | |
| 947 | L | A | -0.4297 | |
| 948 | V | A | 0.0000 | |
| 949 | A | A | 0.0000 | |
| 950 | H | A | 0.0000 | |
| 951 | I | A | 0.0000 | |
| 952 | K | A | -2.3196 | |
| 953 | E | A | -2.0870 | |
| 954 | G | A | -2.3640 | |
| 955 | G | A | -2.5527 | |
| 956 | K | A | -2.7348 | |
| 957 | S | A | -2.0105 | |
| 958 | N | A | 0.0000 | |
| 959 | E | A | -2.6293 | |
| 960 | W | A | -0.7414 | |
| 961 | R | A | -1.0175 | |
| 962 | L | A | -0.9034 | |
| 963 | K | A | -0.8600 | |
| 964 | C | A | 0.1357 | |
| 965 | I | A | 0.4258 | |
| 966 | A | A | 0.6542 | |
| 967 | I | A | 1.6752 | |
| 968 | G | A | 0.3275 | |
| 969 | N | A | -0.5095 | |
| 970 | P | A | -0.5557 | |
| 971 | V | A | -0.3251 | |
| 972 | H | A | -0.6850 | |
| 973 | L | A | 0.0000 | |
| 974 | K | A | -0.5677 | |
| 975 | C | A | 0.0000 | |
| 976 | N | A | -0.8103 | |
| 977 | A | A | -0.7792 | |
| 978 | C | A | -0.7277 | |
| 979 | D | A | -1.4343 | |
| 980 | Y | A | -0.2028 | |
| 981 | Y | A | 0.1415 | |
| 982 | T | A | 0.0000 | |
| 983 | N | A | -1.2328 | |
| 984 | S | A | -1.3894 | |
| 985 | V | A | -1.5650 | |
| 986 | D | A | -2.5474 | |
| 987 | K | A | -2.1955 | |
| 988 | L | A | 0.0000 | |
| 989 | R | A | -2.3036 | |
| 990 | L | A | -0.4824 | |
| 991 | H | A | -1.2521 | |
| 992 | T | A | -1.5662 | |
| 993 | T | A | -1.3200 | |
| 994 | N | A | -2.4540 | |
| 995 | H | A | -3.0224 | |
| 996 | R | A | -3.1706 | |
| 997 | H | A | 0.0000 | |
| 998 | E | A | -3.0894 | |
| 999 | A | A | -1.8838 | |
| 1000 | A | A | -1.3700 | |
| 1001 | L | A | -1.1958 | |
| 1002 | K | A | -1.3500 | |
| 1003 | L | A | 0.7102 | |
| 1004 | Y | A | -0.0976 | |
| 1005 | K | A | -1.1286 | |
| 1006 | V | A | 0.8227 | |
| 1007 | S | A | 0.1334 | |
| 1008 | S | A | -0.4711 | |
| 1009 | D | A | -1.2755 | |
| 1010 | I | A | 0.1695 | |
| 1011 | H | A | -0.6900 | |
| 1012 | F | A | -1.0107 | |
| 1013 | R | A | -1.9352 | |
| 1014 | W | A | -0.5247 | |
| 1015 | H | A | -1.5128 | |
| 1016 | R | A | -2.2655 | |
| 1017 | V | A | -0.7355 | |
| 1018 | E | A | -1.5225 | |
| 1019 | K | A | -2.5553 | |
| 1020 | G | A | -0.9235 | |
| 1021 | I | A | -0.0608 | |
| 1022 | N | A | -1.0205 | |
| 1023 | S | A | -0.1786 | |
| 1024 | F | A | 1.0299 | |
| 1025 | R | A | -0.7905 | |
| 1026 | A | A | 0.2153 | |
| 1027 | W | A | 1.2743 | |
| 1028 | S | A | 0.0963 | |
| 1029 | T | A | -0.3958 | |
| 1030 | S | A | -0.3585 | |
| 1031 | L | A | -0.9678 | |
| 1032 | Q | A | -2.3787 | |
| 1033 | L | A | -2.2676 | |
| 1034 | K | A | -4.2811 | |
| 1035 | E | A | -5.1921 | |
| 1036 | K | A | -4.9975 | |
| 1037 | K | A | -5.4434 | |
| 1038 | R | A | -5.9304 | |
| 1039 | E | A | -5.7168 | |
| 1040 | K | A | -5.5043 | |
| 1041 | T | A | -4.1668 | |
| 1042 | S | A | -3.9004 | |
| 1043 | K | A | -4.2312 | |
| 1044 | G | A | -3.5655 | |
| 1045 | R | A | -3.2161 | |
| 1046 | G | A | -2.2196 | |
| 1047 | H | A | -1.7532 | |
| 1048 | S | A | -0.3752 | |
| 1049 | F | A | 1.2651 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.521 | 5.9961 | View | CSV | PDB |
| 4.5 | -0.6138 | 5.9189 | View | CSV | PDB |
| 5.0 | -0.7251 | 5.8306 | View | CSV | PDB |
| 5.5 | -0.8306 | 5.738 | View | CSV | PDB |
| 6.0 | -0.9065 | 5.644 | View | CSV | PDB |
| 6.5 | -0.9394 | 5.6821 | View | CSV | PDB |
| 7.0 | -0.9326 | 5.771 | View | CSV | PDB |
| 7.5 | -0.9002 | 5.8681 | View | CSV | PDB |
| 8.0 | -0.8538 | 5.968 | View | CSV | PDB |
| 8.5 | -0.7969 | 6.0685 | View | CSV | PDB |
| 9.0 | -0.7284 | 6.168 | 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