| Chain sequence(s) |
A: MAKIAKTHEDIEAQIREIQGKKAALDEAQGVGLDSTGYYDQEIYGGSDSRFAGYVTSIAATELEDDDDDYSSSTSLLGQKKPGYHAPVALLNDIPQSTEQYDPFAEHRPPKIADREDEYKKHRRTMIISPERLDPFADGGKTPDPKMNARTYMDVMREQHLTKEEREIRQQLAEKAKAGELKVVNGAAASQPPSKRKRRWDQTADQTPGATPKKLSSWDQAETPGHTPSLRWDETPGRAKGSETPGATPGSKIWDPTPSHTPAGAATPGRGDTPGHATPGHGGATSSARKNRWDETPKTERDTPGHGSGWAETPRTDRGGDSIGETPTPGASKRKSRWDETPASQMGGSTPVLTPGKTPIGTPAMNMATPTPGHIMSMTPEQLQAWRWEREIDERNRPLSDEELDAMFPEGYKVLPPPAGYVPIRTPARKLTATPTPLGGMTGFHMQTEDRTMKSVNDQPSGNLPFLKPDDIQYFDKLLVDVDESTLSPEEQKERKIMKLLLKIKNGTPPMRKAALRQITDKAREFGAGPLFNQILPLLMSPTLEDQERHLLVKVIDRILYKLDDLVRPYVHKILVVIEPLLIDEDYYARVEGREIISNLAKAAGLATMISTMRPDIDNMDEYVRNTTARAFAVVASALGIPSLLPFLKAVCKSKKSWQARHTGIKIVQQIAILMGCAILPHLRSLVEIIEHGLVDEQQKVRTISALAIAALAEAATPYGIESFDSVLKPLWKGIRQHRGKGLAAFLKAIGYLIPLMDAEYANYYTREVMLILIREFQSPDEEMKKIVLKVVKQCCGTDGVEANYIKTEILPPFFKHFWQHRMALDRRNYRQLVDTTVELANKVGAAEIISRIVDDLKDEAEQYRKMVMETIEKIMGNLGAADIDHKLEEQLIDGILYAFQEQTTEDSVMLNGFGTVVNALGKRVKPYLPQICGTVLWRLNNKSAKVRQQAADLISRTAVVMKTCQEEKLMGHLGVVLYEYLGEEYPEVLGSILGALKAIVNVIGMHKMTPPIKDLLPRLTPILKNRHEKVQENCIDLVGRIADRGAEYVSAREWMRICFELLELLKAHKKAIRRATVNTFGYIAKAIGPHDVLATLLNNLKVQERQNRVCTTVAIAIVAETCSPFTVLPALMNEYRVPELNVQNGVLKSLSFLFEYIGEMGKDYIYAVTPLLEDALMDRDLVHRQTASAVVQHMSLGVYGFGCEDSLNHLLNYVWPNVFETSPHVIQAVMGALEGLRVAIGPCRMLQYCLQGLFHPARKVRDVYWKIYNSIYIGSQDALIAHYPRIYNDDKNTYIRYELDYIL
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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:15)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:43:51)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/83d726a35ee2cad/tmp/folded.pdb (00:43:51)
[INFO] Main: Simulation completed successfully. (01:04:31)
|
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 | 0.9509 | |
| 2 | A | A | 0.2452 | |
| 3 | K | A | -0.6912 | |
| 4 | I | A | 0.8150 | |
| 5 | A | A | -0.5398 | |
| 6 | K | A | -1.8241 | |
| 7 | T | A | -1.7793 | |
| 8 | H | A | -2.2904 | |
| 9 | E | A | -2.8228 | |
| 10 | D | A | -2.0603 | |
| 11 | I | A | -0.7375 | |
| 12 | E | A | -1.8654 | |
| 13 | A | A | -1.9403 | |
| 14 | Q | A | -1.4539 | |
| 15 | I | A | -0.4462 | |
| 16 | R | A | -2.9210 | |
| 17 | E | A | -3.2066 | |
| 18 | I | A | -2.0431 | |
| 19 | Q | A | -2.9529 | |
| 20 | G | A | -2.8861 | |
| 21 | K | A | -3.0068 | |
| 22 | K | A | -3.1143 | |
| 23 | A | A | -1.7850 | |
| 24 | A | A | -1.3740 | |
| 25 | L | A | -0.8028 | |
| 26 | D | A | -2.3655 | |
| 27 | E | A | -2.4693 | |
| 28 | A | A | -1.4906 | |
| 29 | Q | A | -1.4065 | |
| 30 | G | A | -0.5556 | |
| 31 | V | A | 0.9833 | |
| 32 | G | A | 0.1989 | |
| 33 | L | A | 0.7053 | |
| 34 | D | A | -1.1112 | |
| 35 | S | A | -0.4481 | |
| 36 | T | A | -0.0120 | |
| 37 | G | A | 0.5414 | |
| 38 | Y | A | 1.1585 | |
| 39 | Y | A | 0.9957 | |
| 40 | D | A | -0.9400 | |
| 41 | Q | A | -1.4366 | |
| 42 | E | A | -1.5342 | |
| 43 | I | A | 0.9520 | |
| 44 | Y | A | 0.7908 | |
| 45 | G | A | -0.5148 | |
| 46 | G | A | -1.1169 | |
| 47 | S | A | -1.4514 | |
| 48 | D | A | -2.1921 | |
| 49 | S | A | -1.5642 | |
| 50 | R | A | -1.4023 | |
| 51 | F | A | 1.1305 | |
| 52 | A | A | 0.4326 | |
| 53 | G | A | 0.7089 | |
| 54 | Y | A | 2.2035 | |
| 55 | V | A | 2.7807 | |
| 56 | T | A | 1.6003 | |
| 57 | S | A | 1.4547 | |
| 58 | I | A | 2.4281 | |
| 59 | A | A | 1.0094 | |
| 60 | A | A | -0.1010 | |
| 61 | T | A | -1.1754 | |
| 62 | E | A | -1.9247 | |
| 63 | L | A | -0.6522 | |
| 64 | E | A | -2.2112 | |
| 65 | D | A | -3.0574 | |
| 66 | D | A | -3.9966 | |
| 67 | D | A | -4.3034 | |
| 68 | D | A | -4.0068 | |
| 69 | D | A | -2.6007 | |
| 70 | Y | A | -0.4476 | |
| 71 | S | A | -0.5883 | |
| 72 | S | A | -1.1544 | |
| 73 | S | A | -1.7077 | |
| 74 | T | A | -1.7435 | |
| 75 | S | A | -1.5584 | |
| 76 | L | A | 0.1000 | |
| 77 | L | A | -0.4338 | |
| 78 | G | A | -1.6027 | |
| 79 | Q | A | -2.7712 | |
| 80 | K | A | -3.4635 | |
| 81 | K | A | -2.9829 | |
| 82 | P | A | -1.6530 | |
| 83 | G | A | -1.0619 | |
| 84 | Y | A | 0.2698 | |
| 85 | H | A | -0.0821 | |
| 86 | A | A | 0.7120 | |
| 87 | P | A | 1.1039 | |
| 88 | V | A | 1.7359 | |
| 89 | A | A | 0.9958 | |
| 90 | L | A | 1.5211 | |
| 91 | L | A | 0.8793 | |
| 92 | N | A | -0.8819 | |
| 93 | D | A | -1.3687 | |
| 94 | I | A | -0.5216 | |
| 95 | P | A | -1.2096 | |
| 96 | Q | A | -1.8767 | |
| 97 | S | A | -1.4704 | |
| 98 | T | A | -1.5855 | |
| 99 | E | A | -2.4339 | |
| 100 | Q | A | -1.9470 | |
| 101 | Y | A | -0.5350 | |
| 102 | D | A | -1.6081 | |
| 103 | P | A | -0.8272 | |
| 104 | F | A | -1.2884 | |
| 105 | A | A | -1.6972 | |
| 106 | E | A | -2.6229 | |
| 107 | H | A | -2.4925 | |
| 108 | R | A | -2.9914 | |
| 109 | P | A | -1.8883 | |
| 110 | P | A | -2.4226 | |
| 111 | K | A | -2.2176 | |
| 112 | I | A | -0.1587 | |
| 113 | A | A | -2.0978 | |
| 114 | D | A | -3.3358 | |
| 115 | R | A | -3.4305 | |
| 116 | E | A | -3.3768 | |
| 117 | D | A | -3.9368 | |
| 118 | E | A | -3.7101 | |
| 119 | Y | A | -1.9136 | |
| 120 | K | A | -3.5566 | |
| 121 | K | A | -3.7797 | |
| 122 | H | A | -2.4729 | |
| 123 | R | A | -2.7647 | |
| 124 | R | A | -2.7331 | |
| 125 | T | A | -1.0158 | |
| 126 | M | A | 0.0300 | |
| 127 | I | A | 1.4774 | |
| 128 | I | A | 1.5194 | |
| 129 | S | A | 0.3761 | |
| 130 | P | A | -0.7560 | |
| 131 | E | A | -2.4026 | |
| 132 | R | A | -2.4760 | |
| 133 | L | A | -0.6177 | |
| 134 | D | A | -1.3852 | |
| 135 | P | A | -0.7227 | |
| 136 | F | A | 0.5268 | |
| 137 | A | A | -0.5897 | |
| 138 | D | A | -2.1673 | |
| 139 | G | A | -1.5886 | |
| 140 | G | A | -1.6154 | |
| 141 | K | A | -2.5193 | |
| 142 | T | A | -1.5943 | |
| 143 | P | A | -1.9247 | |
| 144 | D | A | -2.0686 | |
| 145 | P | A | -1.6484 | |
| 146 | K | A | -2.0006 | |
| 147 | M | A | -0.9725 | |
| 148 | N | A | -1.8521 | |
| 149 | A | A | -1.7223 | |
| 150 | R | A | -2.1277 | |
| 151 | T | A | -0.7152 | |
| 152 | Y | A | 0.7886 | |
| 153 | M | A | 0.2083 | |
| 154 | D | A | -1.8317 | |
| 155 | V | A | 0.0000 | |
| 156 | M | A | -0.5614 | |
| 157 | R | A | -2.5681 | |
| 158 | E | A | -2.0947 | |
| 159 | Q | A | -1.8765 | |
| 160 | H | A | -3.0577 | |
| 161 | L | A | -2.4674 | |
| 162 | T | A | -2.6261 | |
| 163 | K | A | -3.9661 | |
| 164 | E | A | -4.1244 | |
| 165 | E | A | -3.9966 | |
| 166 | R | A | -4.0516 | |
| 167 | E | A | -3.8644 | |
| 168 | I | A | -2.3695 | |
| 169 | R | A | -3.5753 | |
| 170 | Q | A | -3.3756 | |
| 171 | Q | A | -2.6402 | |
| 172 | L | A | -1.2376 | |
| 173 | A | A | -1.7190 | |
| 174 | E | A | -2.4738 | |
| 175 | K | A | -2.9707 | |
| 176 | A | A | -1.9321 | |
| 177 | K | A | -2.5281 | |
| 178 | A | A | -2.0728 | |
| 179 | G | A | -2.1938 | |
| 180 | E | A | -2.6456 | |
| 181 | L | A | -1.0659 | |
| 182 | K | A | -0.9414 | |
| 183 | V | A | 1.2921 | |
| 184 | V | A | 1.4452 | |
| 185 | N | A | -0.3441 | |
| 186 | G | A | -0.0808 | |
| 187 | A | A | -0.1879 | |
| 188 | A | A | -0.1391 | |
| 189 | A | A | -0.3601 | |
| 190 | S | A | -0.8329 | |
| 191 | Q | A | -1.4620 | |
| 192 | P | A | -1.0836 | |
| 193 | P | A | -1.0189 | |
| 194 | S | A | -1.0168 | |
| 195 | K | A | -2.6673 | |
| 196 | R | A | -3.8197 | |
| 197 | K | A | -4.2066 | |
| 198 | R | A | -3.6535 | |
| 199 | R | A | -2.7873 | |
| 200 | W | A | -1.2626 | |
| 201 | D | A | -2.2013 | |
| 202 | Q | A | -1.8434 | |
| 203 | T | A | -1.4271 | |
| 204 | A | A | -1.4079 | |
| 205 | D | A | -2.3544 | |
| 206 | Q | A | -2.1186 | |
| 207 | T | A | -1.2367 | |
| 208 | P | A | -0.7667 | |
| 209 | G | A | -0.5946 | |
| 210 | A | A | -0.3017 | |
| 211 | T | A | -0.6076 | |
| 212 | P | A | -1.3907 | |
| 213 | K | A | -2.3635 | |
| 214 | K | A | -1.8700 | |
| 215 | L | A | 0.2066 | |
| 216 | S | A | 0.3419 | |
| 217 | S | A | -0.0852 | |
| 218 | W | A | -0.0507 | |
| 219 | D | A | -1.9087 | |
| 220 | Q | A | -2.2631 | |
| 221 | A | A | -1.8079 | |
| 222 | E | A | -2.1065 | |
| 223 | T | A | -1.1937 | |
| 224 | P | A | -1.1348 | |
| 225 | G | A | -1.1118 | |
| 226 | H | A | -1.3513 | |
| 227 | T | A | -0.7960 | |
| 228 | P | A | -0.3099 | |
| 229 | S | A | 0.0116 | |
| 230 | L | A | 0.6623 | |
| 231 | R | A | -0.8896 | |
| 232 | W | A | -0.7470 | |
| 233 | D | A | -2.4294 | |
| 234 | E | A | -2.4728 | |
| 235 | T | A | -1.6283 | |
| 236 | P | A | -1.2670 | |
| 237 | G | A | -1.4600 | |
| 238 | R | A | -2.4191 | |
| 239 | A | A | -1.8750 | |
| 240 | K | A | -2.2931 | |
| 241 | G | A | -1.7760 | |
| 242 | S | A | -1.7267 | |
| 243 | E | A | -2.1118 | |
| 244 | T | A | -1.1966 | |
| 245 | P | A | -0.8584 | |
| 246 | G | A | -0.5875 | |
| 247 | A | A | -0.3022 | |
| 248 | T | A | -0.3614 | |
| 249 | P | A | -0.5453 | |
| 250 | G | A | -1.0629 | |
| 251 | S | A | -0.9076 | |
| 252 | K | A | -0.5613 | |
| 253 | I | A | 1.2761 | |
| 254 | W | A | 0.8858 | |
| 255 | D | A | -1.0136 | |
| 256 | P | A | -1.0812 | |
| 257 | T | A | -0.7513 | |
| 258 | P | A | -0.6346 | |
| 259 | S | A | -0.8573 | |
| 260 | H | A | -1.2324 | |
| 261 | T | A | -0.7102 | |
| 262 | P | A | -0.5644 | |
| 263 | A | A | -0.2945 | |
| 264 | G | A | -0.4405 | |
| 265 | A | A | -0.1812 | |
| 266 | A | A | -0.1061 | |
| 267 | T | A | -0.2759 | |
| 268 | P | A | -0.9163 | |
| 269 | G | A | -1.7711 | |
| 270 | R | A | -2.7859 | |
| 271 | G | A | -2.5193 | |
| 272 | D | A | -2.5485 | |
| 273 | T | A | -1.2488 | |
| 274 | P | A | -1.0400 | |
| 275 | G | A | -1.0683 | |
| 276 | H | A | -1.2455 | |
| 277 | A | A | -0.6913 | |
| 278 | T | A | -0.4945 | |
| 279 | P | A | -0.6971 | |
| 280 | G | A | -1.1734 | |
| 281 | H | A | -1.6015 | |
| 282 | G | A | -1.2964 | |
| 283 | G | A | -0.8746 | |
| 284 | A | A | -0.3422 | |
| 285 | T | A | -0.2841 | |
| 286 | S | A | -0.3271 | |
| 287 | S | A | -0.6685 | |
| 288 | A | A | -1.3574 | |
| 289 | R | A | -3.0708 | |
| 290 | K | A | -3.6813 | |
| 291 | N | A | -3.3203 | |
| 292 | R | A | -2.7949 | |
| 293 | W | A | -1.3839 | |
| 294 | D | A | -2.6957 | |
| 295 | E | A | -2.9601 | |
| 296 | T | A | -1.8826 | |
| 297 | P | A | -1.9556 | |
| 298 | K | A | -2.7359 | |
| 299 | T | A | -2.2263 | |
| 300 | E | A | -3.6225 | |
| 301 | R | A | -3.8116 | |
| 302 | D | A | -3.1970 | |
| 303 | T | A | -1.5827 | |
| 304 | P | A | -1.1516 | |
| 305 | G | A | -1.2658 | |
| 306 | H | A | -1.5742 | |
| 307 | G | A | -1.1344 | |
| 308 | S | A | -0.6390 | |
| 309 | G | A | -0.0526 | |
| 310 | W | A | 0.4729 | |
| 311 | A | A | -0.5036 | |
| 312 | E | A | -1.6116 | |
| 313 | T | A | -1.4197 | |
| 314 | P | A | -1.5343 | |
| 315 | R | A | -2.3764 | |
| 316 | T | A | -2.2205 | |
| 317 | D | A | -3.1715 | |
| 318 | R | A | -3.0730 | |
| 319 | G | A | -2.5365 | |
| 320 | G | A | -2.1410 | |
| 321 | D | A | -1.8417 | |
| 322 | S | A | -0.2348 | |
| 323 | I | A | 0.9010 | |
| 324 | G | A | -0.4268 | |
| 325 | E | A | -1.6767 | |
| 326 | T | A | -1.1965 | |
| 327 | P | A | -0.7896 | |
| 328 | T | A | -0.4534 | |
| 329 | P | A | -0.5821 | |
| 330 | G | A | -0.6199 | |
| 331 | A | A | -0.7326 | |
| 332 | S | A | -1.6426 | |
| 333 | K | A | -3.0545 | |
| 334 | R | A | -3.6214 | |
| 335 | K | A | -3.3398 | |
| 336 | S | A | -2.3677 | |
| 337 | R | A | -2.4975 | |
| 338 | W | A | -1.2851 | |
| 339 | D | A | -2.6134 | |
| 340 | E | A | -2.8232 | |
| 341 | T | A | -1.3464 | |
| 342 | P | A | -0.7073 | |
| 343 | A | A | -0.4337 | |
| 344 | S | A | -0.6134 | |
| 345 | Q | A | -0.9072 | |
| 346 | M | A | -0.0199 | |
| 347 | G | A | -0.4581 | |
| 348 | G | A | -0.6966 | |
| 349 | S | A | -0.2995 | |
| 350 | T | A | 0.1808 | |
| 351 | P | A | 0.9131 | |
| 352 | V | A | 2.2685 | |
| 353 | L | A | 2.1938 | |
| 354 | T | A | 0.7214 | |
| 355 | P | A | -0.5238 | |
| 356 | G | A | -1.5622 | |
| 357 | K | A | -2.0939 | |
| 358 | T | A | -0.6388 | |
| 359 | P | A | 0.3327 | |
| 360 | I | A | 1.6283 | |
| 361 | G | A | 0.3474 | |
| 362 | T | A | 0.0269 | |
| 363 | P | A | -0.1472 | |
| 364 | A | A | 0.1906 | |
| 365 | M | A | 0.6014 | |
| 366 | N | A | -0.2278 | |
| 367 | M | A | 0.6319 | |
| 368 | A | A | 0.2642 | |
| 369 | T | A | 0.0129 | |
| 370 | P | A | -0.4550 | |
| 371 | T | A | -0.6102 | |
| 372 | P | A | -0.3530 | |
| 373 | G | A | -0.6477 | |
| 374 | H | A | -0.7453 | |
| 375 | I | A | 0.4049 | |
| 376 | M | A | 0.8347 | |
| 377 | S | A | 0.0511 | |
| 378 | M | A | -0.2872 | |
| 379 | T | A | -0.9150 | |
| 380 | P | A | -1.6686 | |
| 381 | E | A | -2.6144 | |
| 382 | Q | A | -2.0053 | |
| 383 | L | A | -1.0792 | |
| 384 | Q | A | -1.9985 | |
| 385 | A | A | -1.1621 | |
| 386 | W | A | -0.7508 | |
| 387 | R | A | -1.5313 | |
| 388 | W | A | -0.5005 | |
| 389 | E | A | -1.8492 | |
| 390 | R | A | -3.6183 | |
| 391 | E | A | -3.6287 | |
| 392 | I | A | -2.8154 | |
| 393 | D | A | -4.7705 | |
| 394 | E | A | -5.1948 | |
| 395 | R | A | -4.7185 | |
| 396 | N | A | -4.0809 | |
| 397 | R | A | -3.4794 | |
| 398 | P | A | -1.6634 | |
| 399 | L | A | -0.3470 | |
| 400 | S | A | -1.6080 | |
| 401 | D | A | -2.6184 | |
| 402 | E | A | -3.1563 | |
| 403 | E | A | -1.6742 | |
| 404 | L | A | -0.5495 | |
| 405 | D | A | -2.1410 | |
| 406 | A | A | -0.9171 | |
| 407 | M | A | 0.6425 | |
| 408 | F | A | 1.1552 | |
| 409 | P | A | -0.1796 | |
| 410 | E | A | -1.7918 | |
| 411 | G | A | -1.0858 | |
| 412 | Y | A | 0.4716 | |
| 413 | K | A | -0.2064 | |
| 414 | V | A | 1.4707 | |
| 415 | L | A | 1.8920 | |
| 416 | P | A | 0.6902 | |
| 417 | P | A | 0.6306 | |
| 418 | P | A | 0.2823 | |
| 419 | A | A | 0.2184 | |
| 420 | G | A | 0.5363 | |
| 421 | Y | A | 2.0105 | |
| 422 | V | A | 2.4169 | |
| 423 | P | A | 1.4359 | |
| 424 | I | A | 1.6417 | |
| 425 | R | A | -0.7110 | |
| 426 | T | A | -0.8422 | |
| 427 | P | A | -1.3047 | |
| 428 | A | A | -1.2786 | |
| 429 | R | A | -2.2424 | |
| 430 | K | A | -1.9032 | |
| 431 | L | A | 0.0680 | |
| 432 | T | A | -0.2336 | |
| 433 | A | A | -0.3803 | |
| 434 | T | A | -0.1277 | |
| 435 | P | A | -0.2014 | |
| 436 | T | A | -0.0104 | |
| 437 | P | A | 0.2324 | |
| 438 | L | A | 1.1748 | |
| 439 | G | A | 0.2348 | |
| 440 | G | A | 0.1742 | |
| 441 | M | A | 0.7339 | |
| 442 | T | A | 0.4337 | |
| 443 | G | A | 0.4980 | |
| 444 | F | A | 1.2781 | |
| 445 | H | A | 0.2699 | |
| 446 | M | A | 0.4353 | |
| 447 | Q | A | -1.3312 | |
| 448 | T | A | -1.9079 | |
| 449 | E | A | -3.5754 | |
| 450 | D | A | -3.7151 | |
| 451 | R | A | -3.1202 | |
| 452 | T | A | -1.5728 | |
| 453 | M | A | -0.3635 | |
| 454 | K | A | -1.2680 | |
| 455 | S | A | -0.4841 | |
| 456 | V | A | 0.1482 | |
| 457 | N | A | -1.8661 | |
| 458 | D | A | -2.3662 | |
| 459 | Q | A | -2.1998 | |
| 460 | P | A | -1.4476 | |
| 461 | S | A | -1.3112 | |
| 462 | G | A | -1.4883 | |
| 463 | N | A | -1.5667 | |
| 464 | L | A | -0.7080 | |
| 465 | P | A | -0.4000 | |
| 466 | F | A | -0.1503 | |
| 467 | L | A | 0.0000 | |
| 468 | K | A | -1.1082 | |
| 469 | P | A | -0.9071 | |
| 470 | D | A | -1.0907 | |
| 471 | D | A | 0.0000 | |
| 472 | I | A | -0.9232 | |
| 473 | Q | A | -1.4786 | |
| 474 | Y | A | -0.7750 | |
| 475 | F | A | 0.0000 | |
| 476 | D | A | -0.9461 | |
| 477 | K | A | -1.5162 | |
| 478 | L | A | 0.0000 | |
| 479 | L | A | -0.2043 | |
| 480 | V | A | 0.6066 | |
| 481 | D | A | -1.2771 | |
| 482 | V | A | -0.9266 | |
| 483 | D | A | -2.2841 | |
| 484 | E | A | -2.7040 | |
| 485 | S | A | -1.3601 | |
| 486 | T | A | -1.0555 | |
| 487 | L | A | -1.3671 | |
| 488 | S | A | -1.6169 | |
| 489 | P | A | -2.1416 | |
| 490 | E | A | -3.2925 | |
| 491 | E | A | -3.3901 | |
| 492 | Q | A | -3.2138 | |
| 493 | K | A | -3.4403 | |
| 494 | E | A | -3.4546 | |
| 495 | R | A | -2.7737 | |
| 496 | K | A | -2.4388 | |
| 497 | I | A | 0.0000 | |
| 498 | M | A | 0.0000 | |
| 499 | K | A | -1.3932 | |
| 500 | L | A | 0.0000 | |
| 501 | L | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | K | A | -1.0116 | |
| 504 | I | A | 0.0000 | |
| 505 | K | A | -0.9704 | |
| 506 | N | A | -0.5994 | |
| 507 | G | A | -0.7029 | |
| 508 | T | A | -0.7457 | |
| 509 | P | A | -1.0454 | |
| 510 | P | A | -1.0402 | |
| 511 | M | A | -1.0663 | |
| 512 | R | A | -1.8476 | |
| 513 | K | A | -2.4965 | |
| 514 | A | A | -1.6898 | |
| 515 | A | A | 0.0000 | |
| 516 | L | A | -2.0741 | |
| 517 | R | A | -3.1751 | |
| 518 | Q | A | -2.4235 | |
| 519 | I | A | 0.0000 | |
| 520 | T | A | 0.0000 | |
| 521 | D | A | -3.5581 | |
| 522 | K | A | -3.2599 | |
| 523 | A | A | 0.0000 | |
| 524 | R | A | -3.4253 | |
| 525 | E | A | -3.3167 | |
| 526 | F | A | 0.0000 | |
| 527 | G | A | -1.3472 | |
| 528 | A | A | 0.0000 | |
| 529 | G | A | -0.3283 | |
| 530 | P | A | -1.3650 | |
| 531 | L | A | 0.0000 | |
| 532 | F | A | 0.0000 | |
| 533 | N | A | -1.3137 | |
| 534 | Q | A | -0.8551 | |
| 535 | I | A | 0.0000 | |
| 536 | L | A | 0.0000 | |
| 537 | P | A | -0.1063 | |
| 538 | L | A | 0.0000 | |
| 539 | L | A | 0.0000 | |
| 540 | M | A | 0.9586 | |
| 541 | S | A | 0.0000 | |
| 542 | P | A | -0.3231 | |
| 543 | T | A | -0.8444 | |
| 544 | L | A | -1.5006 | |
| 545 | E | A | -3.0807 | |
| 546 | D | A | -3.2800 | |
| 547 | Q | A | -2.8592 | |
| 548 | E | A | -2.2493 | |
| 549 | R | A | -1.9528 | |
| 550 | H | A | -1.5586 | |
| 551 | L | A | -1.1791 | |
| 552 | L | A | 0.0000 | |
| 553 | V | A | 0.0000 | |
| 554 | K | A | -1.2090 | |
| 555 | V | A | 0.0000 | |
| 556 | I | A | 0.0000 | |
| 557 | D | A | -0.9408 | |
| 558 | R | A | -1.2875 | |
| 559 | I | A | 0.0000 | |
| 560 | L | A | 0.0000 | |
| 561 | Y | A | -0.1637 | |
| 562 | K | A | -1.5004 | |
| 563 | L | A | 0.0000 | |
| 564 | D | A | -2.1904 | |
| 565 | D | A | -2.3042 | |
| 566 | L | A | -0.9515 | |
| 567 | V | A | 0.0000 | |
| 568 | R | A | -1.8337 | |
| 569 | P | A | -1.0769 | |
| 570 | Y | A | -0.8327 | |
| 571 | V | A | 0.0000 | |
| 572 | H | A | -1.0390 | |
| 573 | K | A | -0.6992 | |
| 574 | I | A | 0.0000 | |
| 575 | L | A | 0.0000 | |
| 576 | V | A | 1.3933 | |
| 577 | V | A | 0.0000 | |
| 578 | I | A | 0.0000 | |
| 579 | E | A | 0.0000 | |
| 580 | P | A | 0.3715 | |
| 581 | L | A | 0.0000 | |
| 582 | L | A | 0.0000 | |
| 583 | I | A | -0.0004 | |
| 584 | D | A | -1.0034 | |
| 585 | E | A | -1.8843 | |
| 586 | D | A | -0.8541 | |
| 587 | Y | A | 1.1558 | |
| 588 | Y | A | 1.1926 | |
| 589 | A | A | -0.1906 | |
| 590 | R | A | -0.0364 | |
| 591 | V | A | 0.6145 | |
| 592 | E | A | -0.2765 | |
| 593 | G | A | 0.0000 | |
| 594 | R | A | -1.0648 | |
| 595 | E | A | -1.6796 | |
| 596 | I | A | 0.0000 | |
| 597 | I | A | 0.0000 | |
| 598 | S | A | -1.1961 | |
| 599 | N | A | -1.2880 | |
| 600 | L | A | 0.0000 | |
| 601 | A | A | 0.0000 | |
| 602 | K | A | -1.8982 | |
| 603 | A | A | -1.7193 | |
| 604 | A | A | 0.0000 | |
| 605 | G | A | -0.9818 | |
| 606 | L | A | 0.1391 | |
| 607 | A | A | 0.2446 | |
| 608 | T | A | -0.3035 | |
| 609 | M | A | 0.0000 | |
| 610 | I | A | -0.1178 | |
| 611 | S | A | -0.6102 | |
| 612 | T | A | -1.0058 | |
| 613 | M | A | 0.0000 | |
| 614 | R | A | -2.0879 | |
| 615 | P | A | -1.6548 | |
| 616 | D | A | -1.5411 | |
| 617 | I | A | 0.0000 | |
| 618 | D | A | -2.5332 | |
| 619 | N | A | -1.4308 | |
| 620 | M | A | -0.3098 | |
| 621 | D | A | -1.3302 | |
| 622 | E | A | -1.7327 | |
| 623 | Y | A | 0.1743 | |
| 624 | V | A | -0.1936 | |
| 625 | R | A | 0.0000 | |
| 626 | N | A | -0.4988 | |
| 627 | T | A | 0.0000 | |
| 628 | T | A | 0.0000 | |
| 629 | A | A | 0.0000 | |
| 630 | R | A | -0.3406 | |
| 631 | A | A | 0.0000 | |
| 632 | F | A | 0.0000 | |
| 633 | A | A | 0.0000 | |
| 634 | V | A | 0.0000 | |
| 635 | V | A | 0.0000 | |
| 636 | A | A | 0.0000 | |
| 637 | S | A | 0.0553 | |
| 638 | A | A | -0.5177 | |
| 639 | L | A | -0.0946 | |
| 640 | G | A | -0.0427 | |
| 641 | I | A | 0.0000 | |
| 642 | P | A | -0.2859 | |
| 643 | S | A | -0.0461 | |
| 644 | L | A | 0.0000 | |
| 645 | L | A | -0.4505 | |
| 646 | P | A | -0.6398 | |
| 647 | F | A | -0.4765 | |
| 648 | L | A | 0.0000 | |
| 649 | K | A | -1.9419 | |
| 650 | A | A | -1.0867 | |
| 651 | V | A | 0.0000 | |
| 652 | C | A | 0.0000 | |
| 653 | K | A | -1.7472 | |
| 654 | S | A | 0.0000 | |
| 655 | K | A | -2.6606 | |
| 656 | K | A | -2.8377 | |
| 657 | S | A | -1.7122 | |
| 658 | W | A | -1.3729 | |
| 659 | Q | A | -1.3846 | |
| 660 | A | A | 0.0000 | |
| 661 | R | A | -1.4900 | |
| 662 | H | A | -0.8646 | |
| 663 | T | A | 0.0000 | |
| 664 | G | A | 0.0000 | |
| 665 | I | A | 0.0000 | |
| 666 | K | A | -0.4827 | |
| 667 | I | A | 0.0000 | |
| 668 | V | A | 0.0000 | |
| 669 | Q | A | 0.2651 | |
| 670 | Q | A | 0.4255 | |
| 671 | I | A | 0.0000 | |
| 672 | A | A | 0.0000 | |
| 673 | I | A | 1.9492 | |
| 674 | L | A | 1.4580 | |
| 675 | M | A | 1.1212 | |
| 676 | G | A | 0.7825 | |
| 677 | C | A | 0.9025 | |
| 678 | A | A | 0.5019 | |
| 679 | I | A | 0.0000 | |
| 680 | L | A | 0.1696 | |
| 681 | P | A | -0.4624 | |
| 682 | H | A | -0.7952 | |
| 683 | L | A | 0.0000 | |
| 684 | R | A | -2.8670 | |
| 685 | S | A | -1.8092 | |
| 686 | L | A | 0.0000 | |
| 687 | V | A | 0.0000 | |
| 688 | E | A | -2.7985 | |
| 689 | I | A | 0.0000 | |
| 690 | I | A | 0.0000 | |
| 691 | E | A | -1.0117 | |
| 692 | H | A | -0.4687 | |
| 693 | G | A | 0.0000 | |
| 694 | L | A | 0.0000 | |
| 695 | V | A | 0.9253 | |
| 696 | D | A | 0.0000 | |
| 697 | E | A | -1.9197 | |
| 698 | Q | A | -1.7434 | |
| 699 | Q | A | -2.0018 | |
| 700 | K | A | -2.0027 | |
| 701 | V | A | 0.0000 | |
| 702 | R | A | -0.9401 | |
| 703 | T | A | 0.0000 | |
| 704 | I | A | 0.0000 | |
| 705 | S | A | 0.0000 | |
| 706 | A | A | 0.0000 | |
| 707 | L | A | 0.0988 | |
| 708 | A | A | 0.0000 | |
| 709 | I | A | 0.0000 | |
| 710 | A | A | 0.0000 | |
| 711 | A | A | -0.2191 | |
| 712 | L | A | 0.0000 | |
| 713 | A | A | 0.0000 | |
| 714 | E | A | -1.5141 | |
| 715 | A | A | -0.0706 | |
| 716 | A | A | 0.0000 | |
| 717 | T | A | -0.2802 | |
| 718 | P | A | -0.0137 | |
| 719 | Y | A | 0.5615 | |
| 720 | G | A | -0.5473 | |
| 721 | I | A | -1.0536 | |
| 722 | E | A | -2.3573 | |
| 723 | S | A | 0.0000 | |
| 724 | F | A | 0.0000 | |
| 725 | D | A | -2.7870 | |
| 726 | S | A | -2.2839 | |
| 727 | V | A | 0.0000 | |
| 728 | L | A | -1.4163 | |
| 729 | K | A | -2.2751 | |
| 730 | P | A | -1.1722 | |
| 731 | L | A | 0.0000 | |
| 732 | W | A | -1.3180 | |
| 733 | K | A | -2.2230 | |
| 734 | G | A | 0.0000 | |
| 735 | I | A | 0.0000 | |
| 736 | R | A | -2.2174 | |
| 737 | Q | A | -2.4437 | |
| 738 | H | A | -2.4665 | |
| 739 | R | A | -2.8740 | |
| 740 | G | A | -2.3495 | |
| 741 | K | A | -2.4926 | |
| 742 | G | A | -1.8548 | |
| 743 | L | A | 0.0000 | |
| 744 | A | A | 0.0000 | |
| 745 | A | A | 0.0000 | |
| 746 | F | A | 0.0000 | |
| 747 | L | A | 0.0000 | |
| 748 | K | A | -0.6274 | |
| 749 | A | A | 0.0000 | |
| 750 | I | A | 0.0000 | |
| 751 | G | A | 0.0000 | |
| 752 | Y | A | -0.6538 | |
| 753 | L | A | 0.0000 | |
| 754 | I | A | 0.0000 | |
| 755 | P | A | -0.8250 | |
| 756 | L | A | 0.0000 | |
| 757 | M | A | 0.0000 | |
| 758 | D | A | -2.1607 | |
| 759 | A | A | -1.7606 | |
| 760 | E | A | -1.7458 | |
| 761 | Y | A | 0.0755 | |
| 762 | A | A | 0.0000 | |
| 763 | N | A | -0.9518 | |
| 764 | Y | A | 0.4688 | |
| 765 | Y | A | 0.2085 | |
| 766 | T | A | 0.0000 | |
| 767 | R | A | -0.8443 | |
| 768 | E | A | -0.3781 | |
| 769 | V | A | 0.0000 | |
| 770 | M | A | 0.0000 | |
| 771 | L | A | 0.6426 | |
| 772 | I | A | 0.0000 | |
| 773 | L | A | 0.0000 | |
| 774 | I | A | -0.5536 | |
| 775 | R | A | -1.4643 | |
| 776 | E | A | -1.5621 | |
| 777 | F | A | 0.0000 | |
| 778 | Q | A | -2.1578 | |
| 779 | S | A | -1.9252 | |
| 780 | P | A | -1.6457 | |
| 781 | D | A | -2.7800 | |
| 782 | E | A | -2.6044 | |
| 783 | E | A | -2.7795 | |
| 784 | M | A | 0.0000 | |
| 785 | K | A | -1.9631 | |
| 786 | K | A | -1.8735 | |
| 787 | I | A | 0.0000 | |
| 788 | V | A | 0.0000 | |
| 789 | L | A | 0.0000 | |
| 790 | K | A | -1.1381 | |
| 791 | V | A | 0.0000 | |
| 792 | V | A | 0.0000 | |
| 793 | K | A | -1.1063 | |
| 794 | Q | A | -0.7156 | |
| 795 | C | A | 0.0000 | |
| 796 | C | A | 0.0000 | |
| 797 | G | A | -1.5095 | |
| 798 | T | A | 0.0000 | |
| 799 | D | A | -2.6772 | |
| 800 | G | A | -1.6488 | |
| 801 | V | A | 0.0000 | |
| 802 | E | A | -1.6265 | |
| 803 | A | A | -1.6947 | |
| 804 | N | A | -2.1140 | |
| 805 | Y | A | 0.0000 | |
| 806 | I | A | 0.0000 | |
| 807 | K | A | -2.1059 | |
| 808 | T | A | -1.6095 | |
| 809 | E | A | -1.8467 | |
| 810 | I | A | 0.0000 | |
| 811 | L | A | 0.0000 | |
| 812 | P | A | -1.1538 | |
| 813 | P | A | -1.2888 | |
| 814 | F | A | 0.0000 | |
| 815 | F | A | -1.0368 | |
| 816 | K | A | -2.1161 | |
| 817 | H | A | -1.6810 | |
| 818 | F | A | 0.0000 | |
| 819 | W | A | 0.0000 | |
| 820 | Q | A | -1.9465 | |
| 821 | H | A | -1.9111 | |
| 822 | R | A | -2.1384 | |
| 823 | M | A | 0.0000 | |
| 824 | A | A | 0.0000 | |
| 825 | L | A | -0.3204 | |
| 826 | D | A | -1.7711 | |
| 827 | R | A | -3.0346 | |
| 828 | R | A | -3.3458 | |
| 829 | N | A | 0.0000 | |
| 830 | Y | A | 0.0000 | |
| 831 | R | A | -3.5968 | |
| 832 | Q | A | -2.5942 | |
| 833 | L | A | 0.0000 | |
| 834 | V | A | 0.0000 | |
| 835 | D | A | -2.5582 | |
| 836 | T | A | 0.0000 | |
| 837 | T | A | 0.0000 | |
| 838 | V | A | 0.0000 | |
| 839 | E | A | -1.8310 | |
| 840 | L | A | 0.0000 | |
| 841 | A | A | 0.0000 | |
| 842 | N | A | -1.7182 | |
| 843 | K | A | -2.1545 | |
| 844 | V | A | -1.2817 | |
| 845 | G | A | -1.0625 | |
| 846 | A | A | 0.0000 | |
| 847 | A | A | -1.0847 | |
| 848 | E | A | -0.8990 | |
| 849 | I | A | 0.0000 | |
| 850 | I | A | 0.0000 | |
| 851 | S | A | -1.2872 | |
| 852 | R | A | -1.2985 | |
| 853 | I | A | 0.0000 | |
| 854 | V | A | 0.0000 | |
| 855 | D | A | -2.9904 | |
| 856 | D | A | -2.3271 | |
| 857 | L | A | 0.0000 | |
| 858 | K | A | -2.9430 | |
| 859 | D | A | -2.5810 | |
| 860 | E | A | -2.6445 | |
| 861 | A | A | -1.7273 | |
| 862 | E | A | -1.5609 | |
| 863 | Q | A | -1.0882 | |
| 864 | Y | A | 0.0000 | |
| 865 | R | A | 0.0000 | |
| 866 | K | A | -0.7670 | |
| 867 | M | A | 0.0000 | |
| 868 | V | A | 0.0000 | |
| 869 | M | A | 0.0000 | |
| 870 | E | A | -1.4377 | |
| 871 | T | A | 0.0000 | |
| 872 | I | A | 0.0000 | |
| 873 | E | A | -1.4543 | |
| 874 | K | A | -2.0980 | |
| 875 | I | A | 0.0000 | |
| 876 | M | A | 0.0000 | |
| 877 | G | A | -1.3873 | |
| 878 | N | A | -1.4391 | |
| 879 | L | A | -0.7071 | |
| 880 | G | A | -0.8114 | |
| 881 | A | A | 0.0000 | |
| 882 | A | A | -1.0242 | |
| 883 | D | A | -2.2881 | |
| 884 | I | A | 0.0000 | |
| 885 | D | A | -3.3235 | |
| 886 | H | A | -3.2440 | |
| 887 | K | A | -3.2259 | |
| 888 | L | A | 0.0000 | |
| 889 | E | A | 0.0000 | |
| 890 | E | A | -2.7083 | |
| 891 | Q | A | -2.5909 | |
| 892 | L | A | 0.0000 | |
| 893 | I | A | 0.0000 | |
| 894 | D | A | -2.3063 | |
| 895 | G | A | 0.0000 | |
| 896 | I | A | 0.0000 | |
| 897 | L | A | -0.8071 | |
| 898 | Y | A | -0.6838 | |
| 899 | A | A | 0.0000 | |
| 900 | F | A | 0.0000 | |
| 901 | Q | A | -0.9238 | |
| 902 | E | A | -1.6490 | |
| 903 | Q | A | -1.1551 | |
| 904 | T | A | -0.7837 | |
| 905 | T | A | -1.0647 | |
| 906 | E | A | -1.5012 | |
| 907 | D | A | -1.0857 | |
| 908 | S | A | -0.7532 | |
| 909 | V | A | -0.5212 | |
| 910 | M | A | 0.0000 | |
| 911 | L | A | 0.0000 | |
| 912 | N | A | -0.9560 | |
| 913 | G | A | 0.0000 | |
| 914 | F | A | 0.0000 | |
| 915 | G | A | 0.0000 | |
| 916 | T | A | -0.9435 | |
| 917 | V | A | 0.0000 | |
| 918 | V | A | 0.0000 | |
| 919 | N | A | -1.0620 | |
| 920 | A | A | -0.8899 | |
| 921 | L | A | 0.0000 | |
| 922 | G | A | -1.3754 | |
| 923 | K | A | -2.8058 | |
| 924 | R | A | -2.1398 | |
| 925 | V | A | 0.0000 | |
| 926 | K | A | -2.2896 | |
| 927 | P | A | -1.2580 | |
| 928 | Y | A | -1.0657 | |
| 929 | L | A | 0.0000 | |
| 930 | P | A | -0.8936 | |
| 931 | Q | A | -0.9139 | |
| 932 | I | A | 0.0000 | |
| 933 | C | A | 0.0000 | |
| 934 | G | A | -0.2663 | |
| 935 | T | A | -0.0565 | |
| 936 | V | A | 0.0000 | |
| 937 | L | A | 0.2583 | |
| 938 | W | A | 0.5228 | |
| 939 | R | A | 0.0000 | |
| 940 | L | A | 0.0000 | |
| 941 | N | A | -1.3275 | |
| 942 | N | A | -1.5721 | |
| 943 | K | A | -2.3053 | |
| 944 | S | A | -1.6638 | |
| 945 | A | A | -1.4054 | |
| 946 | K | A | -1.7977 | |
| 947 | V | A | 0.0000 | |
| 948 | R | A | -1.3878 | |
| 949 | Q | A | -1.0251 | |
| 950 | Q | A | 0.0000 | |
| 951 | A | A | 0.0000 | |
| 952 | A | A | 0.0000 | |
| 953 | D | A | -0.7924 | |
| 954 | L | A | 0.0000 | |
| 955 | I | A | 0.0000 | |
| 956 | S | A | -0.3913 | |
| 957 | R | A | -0.7460 | |
| 958 | T | A | 0.0000 | |
| 959 | A | A | 0.0000 | |
| 960 | V | A | 1.2021 | |
| 961 | V | A | 0.0000 | |
| 962 | M | A | 0.0000 | |
| 963 | K | A | -0.9817 | |
| 964 | T | A | -0.9742 | |
| 965 | C | A | 0.0000 | |
| 966 | Q | A | -2.2639 | |
| 967 | E | A | -1.8302 | |
| 968 | E | A | -2.0160 | |
| 969 | K | A | -2.5034 | |
| 970 | L | A | -1.4501 | |
| 971 | M | A | 0.0000 | |
| 972 | G | A | -1.0581 | |
| 973 | H | A | -0.8831 | |
| 974 | L | A | 0.0000 | |
| 975 | G | A | 0.0000 | |
| 976 | V | A | 0.6954 | |
| 977 | V | A | 0.0694 | |
| 978 | L | A | 0.0000 | |
| 979 | Y | A | -0.4821 | |
| 980 | E | A | -1.3268 | |
| 981 | Y | A | -0.9202 | |
| 982 | L | A | 0.0000 | |
| 983 | G | A | -1.2333 | |
| 984 | E | A | -1.2229 | |
| 985 | E | A | -1.5188 | |
| 986 | Y | A | -0.1912 | |
| 987 | P | A | -0.9820 | |
| 988 | E | A | -1.1656 | |
| 989 | V | A | 0.0000 | |
| 990 | L | A | 0.0000 | |
| 991 | G | A | 0.0000 | |
| 992 | S | A | 0.0000 | |
| 993 | I | A | 0.0000 | |
| 994 | L | A | 0.0000 | |
| 995 | G | A | -0.5895 | |
| 996 | A | A | 0.0000 | |
| 997 | L | A | 0.0000 | |
| 998 | K | A | -0.7388 | |
| 999 | A | A | -0.1564 | |
| 1000 | I | A | 0.0000 | |
| 1001 | V | A | 0.0000 | |
| 1002 | N | A | -0.3942 | |
| 1003 | V | A | 0.2008 | |
| 1004 | I | A | 0.0000 | |
| 1005 | G | A | -0.8973 | |
| 1006 | M | A | -0.9405 | |
| 1007 | H | A | -1.5734 | |
| 1008 | K | A | -1.9583 | |
| 1009 | M | A | 0.0000 | |
| 1010 | T | A | -0.7180 | |
| 1011 | P | A | 0.0000 | |
| 1012 | P | A | -1.5432 | |
| 1013 | I | A | 0.0000 | |
| 1014 | K | A | -2.8269 | |
| 1015 | D | A | -2.8135 | |
| 1016 | L | A | 0.0000 | |
| 1017 | L | A | 0.0000 | |
| 1018 | P | A | -1.3929 | |
| 1019 | R | A | -1.4822 | |
| 1020 | L | A | 0.0000 | |
| 1021 | T | A | 0.0000 | |
| 1022 | P | A | -1.0714 | |
| 1023 | I | A | 0.0000 | |
| 1024 | L | A | 0.0000 | |
| 1025 | K | A | -2.7693 | |
| 1026 | N | A | -2.4359 | |
| 1027 | R | A | -2.9224 | |
| 1028 | H | A | -2.2526 | |
| 1029 | E | A | -2.5307 | |
| 1030 | K | A | -1.7177 | |
| 1031 | V | A | 0.0000 | |
| 1032 | Q | A | -1.8463 | |
| 1033 | E | A | -1.5905 | |
| 1034 | N | A | 0.0000 | |
| 1035 | C | A | 0.0000 | |
| 1036 | I | A | 0.0000 | |
| 1037 | D | A | -1.4987 | |
| 1038 | L | A | 0.0000 | |
| 1039 | V | A | 0.0000 | |
| 1040 | G | A | 0.0000 | |
| 1041 | R | A | -1.5058 | |
| 1042 | I | A | 0.0000 | |
| 1043 | A | A | 0.0000 | |
| 1044 | D | A | -2.3657 | |
| 1045 | R | A | -1.7673 | |
| 1046 | G | A | 0.0000 | |
| 1047 | A | A | -1.4076 | |
| 1048 | E | A | -1.9930 | |
| 1049 | Y | A | -1.2428 | |
| 1050 | V | A | -1.2397 | |
| 1051 | S | A | -1.0672 | |
| 1052 | A | A | -1.2899 | |
| 1053 | R | A | -2.3144 | |
| 1054 | E | A | -1.7299 | |
| 1055 | W | A | 0.0000 | |
| 1056 | M | A | -1.2755 | |
| 1057 | R | A | -1.9670 | |
| 1058 | I | A | 0.0000 | |
| 1059 | C | A | 0.0000 | |
| 1060 | F | A | 0.2836 | |
| 1061 | E | A | -1.0501 | |
| 1062 | L | A | 0.0000 | |
| 1063 | L | A | -0.6560 | |
| 1064 | E | A | -2.1959 | |
| 1065 | L | A | 0.0000 | |
| 1066 | L | A | 0.0000 | |
| 1067 | K | A | -3.0524 | |
| 1068 | A | A | -2.5968 | |
| 1069 | H | A | -2.3736 | |
| 1070 | K | A | -2.6762 | |
| 1071 | K | A | -2.7209 | |
| 1072 | A | A | -2.0331 | |
| 1073 | I | A | 0.0000 | |
| 1074 | R | A | -2.4997 | |
| 1075 | R | A | -2.7417 | |
| 1076 | A | A | -1.7541 | |
| 1077 | T | A | 0.0000 | |
| 1078 | V | A | 0.0000 | |
| 1079 | N | A | -1.1596 | |
| 1080 | T | A | 0.0000 | |
| 1081 | F | A | 0.0000 | |
| 1082 | G | A | 0.0000 | |
| 1083 | Y | A | -0.9521 | |
| 1084 | I | A | 0.0000 | |
| 1085 | A | A | 0.0000 | |
| 1086 | K | A | -1.7829 | |
| 1087 | A | A | -1.1458 | |
| 1088 | I | A | -0.6717 | |
| 1089 | G | A | -0.7582 | |
| 1090 | P | A | 0.0000 | |
| 1091 | H | A | -1.2519 | |
| 1092 | D | A | -1.0458 | |
| 1093 | V | A | 0.0000 | |
| 1094 | L | A | 0.0000 | |
| 1095 | A | A | -0.6977 | |
| 1096 | T | A | -0.3419 | |
| 1097 | L | A | 0.0000 | |
| 1098 | L | A | -0.8379 | |
| 1099 | N | A | -1.6617 | |
| 1100 | N | A | 0.0000 | |
| 1101 | L | A | 0.0000 | |
| 1102 | K | A | -2.3868 | |
| 1103 | V | A | -1.7867 | |
| 1104 | Q | A | -2.4165 | |
| 1105 | E | A | -2.7455 | |
| 1106 | R | A | -3.1277 | |
| 1107 | Q | A | -2.7650 | |
| 1108 | N | A | 0.0000 | |
| 1109 | R | A | -1.9188 | |
| 1110 | V | A | -0.7064 | |
| 1111 | C | A | 0.0000 | |
| 1112 | T | A | 0.0000 | |
| 1113 | T | A | 0.0000 | |
| 1114 | V | A | 0.5643 | |
| 1115 | A | A | 0.0000 | |
| 1116 | I | A | 0.0000 | |
| 1117 | A | A | 0.0000 | |
| 1118 | I | A | 0.2490 | |
| 1119 | V | A | 0.0000 | |
| 1120 | A | A | 0.0000 | |
| 1121 | E | A | -0.4818 | |
| 1122 | T | A | -0.7831 | |
| 1123 | C | A | -0.3876 | |
| 1124 | S | A | 0.3520 | |
| 1125 | P | A | 0.0000 | |
| 1126 | F | A | 1.5969 | |
| 1127 | T | A | 0.5840 | |
| 1128 | V | A | 0.0000 | |
| 1129 | L | A | 0.0000 | |
| 1130 | P | A | -0.0671 | |
| 1131 | A | A | -0.3911 | |
| 1132 | L | A | 0.0000 | |
| 1133 | M | A | -0.9420 | |
| 1134 | N | A | -1.7480 | |
| 1135 | E | A | -1.9280 | |
| 1136 | Y | A | 0.0000 | |
| 1137 | R | A | -2.2709 | |
| 1138 | V | A | -1.1327 | |
| 1139 | P | A | -0.6229 | |
| 1140 | E | A | -0.6587 | |
| 1141 | L | A | 0.7198 | |
| 1142 | N | A | -0.9850 | |
| 1143 | V | A | 0.0000 | |
| 1144 | Q | A | -0.7192 | |
| 1145 | N | A | -0.1691 | |
| 1146 | G | A | 0.0000 | |
| 1147 | V | A | 0.0000 | |
| 1148 | L | A | 0.0000 | |
| 1149 | K | A | -0.1830 | |
| 1150 | S | A | 0.0000 | |
| 1151 | L | A | 0.0000 | |
| 1152 | S | A | 0.0000 | |
| 1153 | F | A | 0.4360 | |
| 1154 | L | A | 0.0000 | |
| 1155 | F | A | 0.0000 | |
| 1156 | E | A | -1.2929 | |
| 1157 | Y | A | 0.0258 | |
| 1158 | I | A | 0.0000 | |
| 1159 | G | A | -1.0670 | |
| 1160 | E | A | -1.7776 | |
| 1161 | M | A | -1.0147 | |
| 1162 | G | A | 0.0000 | |
| 1163 | K | A | -1.6453 | |
| 1164 | D | A | -1.7027 | |
| 1165 | Y | A | -0.1795 | |
| 1166 | I | A | 0.0000 | |
| 1167 | Y | A | 0.8476 | |
| 1168 | A | A | 0.5830 | |
| 1169 | V | A | 0.0000 | |
| 1170 | T | A | -0.0813 | |
| 1171 | P | A | -0.5756 | |
| 1172 | L | A | 0.0000 | |
| 1173 | L | A | 0.0000 | |
| 1174 | E | A | -1.3686 | |
| 1175 | D | A | -2.0560 | |
| 1176 | A | A | 0.0000 | |
| 1177 | L | A | 0.0000 | |
| 1178 | M | A | -0.5637 | |
| 1179 | D | A | -1.6817 | |
| 1180 | R | A | -2.1310 | |
| 1181 | D | A | -0.7520 | |
| 1182 | L | A | -0.1216 | |
| 1183 | V | A | 0.4628 | |
| 1184 | H | A | 0.0000 | |
| 1185 | R | A | -0.4972 | |
| 1186 | Q | A | -0.0822 | |
| 1187 | T | A | 0.0000 | |
| 1188 | A | A | 0.0000 | |
| 1189 | S | A | 0.0000 | |
| 1190 | A | A | -0.3787 | |
| 1191 | V | A | 0.0000 | |
| 1192 | V | A | 0.0000 | |
| 1193 | Q | A | -0.5020 | |
| 1194 | H | A | -0.2847 | |
| 1195 | M | A | 0.0000 | |
| 1196 | S | A | 0.0000 | |
| 1197 | L | A | 0.2780 | |
| 1198 | G | A | -0.3786 | |
| 1199 | V | A | 0.0000 | |
| 1200 | Y | A | 1.0610 | |
| 1201 | G | A | 0.3082 | |
| 1202 | F | A | 0.3263 | |
| 1203 | G | A | -0.4847 | |
| 1204 | C | A | 0.0000 | |
| 1205 | E | A | -1.7171 | |
| 1206 | D | A | -2.4927 | |
| 1207 | S | A | 0.0000 | |
| 1208 | L | A | 0.0000 | |
| 1209 | N | A | -1.6298 | |
| 1210 | H | A | -1.4417 | |
| 1211 | L | A | 0.0000 | |
| 1212 | L | A | 0.0000 | |
| 1213 | N | A | -1.0186 | |
| 1214 | Y | A | -0.4705 | |
| 1215 | V | A | 0.0000 | |
| 1216 | W | A | 0.0000 | |
| 1217 | P | A | 0.0461 | |
| 1218 | N | A | 0.0000 | |
| 1219 | V | A | 0.0000 | |
| 1220 | F | A | 1.2586 | |
| 1221 | E | A | 0.3424 | |
| 1222 | T | A | 0.0045 | |
| 1223 | S | A | -0.2222 | |
| 1224 | P | A | -0.6494 | |
| 1225 | H | A | -0.6922 | |
| 1226 | V | A | 0.0000 | |
| 1227 | I | A | 0.0685 | |
| 1228 | Q | A | -0.7377 | |
| 1229 | A | A | -0.4431 | |
| 1230 | V | A | 0.0000 | |
| 1231 | M | A | -0.3927 | |
| 1232 | G | A | -0.4494 | |
| 1233 | A | A | 0.0000 | |
| 1234 | L | A | 0.0000 | |
| 1235 | E | A | -0.8370 | |
| 1236 | G | A | 0.0000 | |
| 1237 | L | A | 0.0000 | |
| 1238 | R | A | -0.2932 | |
| 1239 | V | A | 0.4649 | |
| 1240 | A | A | 0.0000 | |
| 1241 | I | A | -0.4937 | |
| 1242 | G | A | -0.1906 | |
| 1243 | P | A | -0.7063 | |
| 1244 | C | A | -0.3032 | |
| 1245 | R | A | -1.1092 | |
| 1246 | M | A | 0.0000 | |
| 1247 | L | A | 0.0000 | |
| 1248 | Q | A | -1.2064 | |
| 1249 | Y | A | -0.6487 | |
| 1250 | C | A | 0.0000 | |
| 1251 | L | A | -0.0279 | |
| 1252 | Q | A | -0.8697 | |
| 1253 | G | A | 0.0000 | |
| 1254 | L | A | 0.0000 | |
| 1255 | F | A | 1.2054 | |
| 1256 | H | A | -0.6617 | |
| 1257 | P | A | -0.7262 | |
| 1258 | A | A | -1.6952 | |
| 1259 | R | A | -3.1615 | |
| 1260 | K | A | -3.0941 | |
| 1261 | V | A | -1.6395 | |
| 1262 | R | A | -2.4538 | |
| 1263 | D | A | -3.2976 | |
| 1264 | V | A | -1.6023 | |
| 1265 | Y | A | 0.0000 | |
| 1266 | W | A | -0.8761 | |
| 1267 | K | A | -2.1247 | |
| 1268 | I | A | 0.0000 | |
| 1269 | Y | A | -0.1375 | |
| 1270 | N | A | -0.7754 | |
| 1271 | S | A | -0.3404 | |
| 1272 | I | A | 0.0000 | |
| 1273 | Y | A | 0.2678 | |
| 1274 | I | A | 1.3504 | |
| 1275 | G | A | 0.0806 | |
| 1276 | S | A | -0.3634 | |
| 1277 | Q | A | -1.1341 | |
| 1278 | D | A | -1.6391 | |
| 1279 | A | A | -0.6783 | |
| 1280 | L | A | 0.0000 | |
| 1281 | I | A | 0.7079 | |
| 1282 | A | A | 0.5934 | |
| 1283 | H | A | -0.3450 | |
| 1284 | Y | A | 0.3378 | |
| 1285 | P | A | -0.2396 | |
| 1286 | R | A | -0.6002 | |
| 1287 | I | A | 1.5873 | |
| 1288 | Y | A | 1.2407 | |
| 1289 | N | A | -0.9908 | |
| 1290 | D | A | -2.8533 | |
| 1291 | D | A | -3.7303 | |
| 1292 | K | A | -3.5687 | |
| 1293 | N | A | -2.6321 | |
| 1294 | T | A | -0.8540 | |
| 1295 | Y | A | 0.3852 | |
| 1296 | I | A | 0.2767 | |
| 1297 | R | A | -0.1580 | |
| 1298 | Y | A | 0.1865 | |
| 1299 | E | A | -0.5764 | |
| 1300 | L | A | 0.9046 | |
| 1301 | D | A | 0.3357 | |
| 1302 | Y | A | 2.0540 | |
| 1303 | I | A | 3.0707 | |
| 1304 | L | A | 2.6973 |
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 | -0.5198 | 5.2247 | View | CSV | PDB |
| 4.5 | -0.6034 | 5.0143 | View | CSV | PDB |
| 5.0 | -0.7045 | 4.9446 | View | CSV | PDB |
| 5.5 | -0.805 | 4.9446 | View | CSV | PDB |
| 6.0 | -0.8876 | 4.9446 | View | CSV | PDB |
| 6.5 | -0.9415 | 4.9446 | View | CSV | PDB |
| 7.0 | -0.9664 | 4.9446 | View | CSV | PDB |
| 7.5 | -0.9708 | 4.9446 | View | CSV | PDB |
| 8.0 | -0.9627 | 4.9445 | View | CSV | PDB |
| 8.5 | -0.9442 | 4.9443 | View | CSV | PDB |
| 9.0 | -0.9133 | 4.9437 | 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