| Chain sequence(s) |
A: KEQFRETDVAKKISHICFGMKSPEEMRQQAHIQVVSKNLYSQDNQHAPLLYGVLDHRMGTSEKDRPCETCGKNLADCLGHYGYIDLELPCFHVGYFRAVIGILQMICKTCCHIMLSQEEKKQFLDYLKRPGLTYLQKRGLKEKISDKCRKKNICHHCGAFNGTVKKCGLLKIIHEKYKTNKKVVDPIVSNFLQSFETAIEHNKEVEPLLGRAQENLNPLVVLNLFKRIPAEDVPLLLMNPEAGKPSDLILTRLLVPPLCIRPSVVSDLKSGTNEDDLTMKLTEIIFLNDVIKKHRISGAKTQMIMEDWDFLQLQCALYINSELSGIPLNMAPKKWTRGFVQRLKGKQGRFRGNLSGKRVDFSGRTVISPDPNLRIDEVAVPVHVAKILTFPEKVNKANINFLRKLVQNGPEVHPGANFIQQRHTQMKRFLKYGNREKMAQELKYGDIVERHLIDGDVVLFNRQPSLHKLSIMAHLARVKPHRTFRFNECVCTPYNADFDGDEMNLHLPQTEEAKAEALVLMGTKANLVTPRNGEPLIAAIQDFLTGAYLLTLKDTFFDRAKACQIIASILVGKDEKIKVRLPPPTILKPVTLWTGKQIFSVILRPSDDNPVRANLRTKGKQYCGKGEDLCANDSYVTIQNSELMSGSMDKGTLGSGSKNNIFYILLRDWGQNEAADAMSRLARLAPVYLSNRGFSIGIGDVTPGQGLLKAKYELLNAGYKKCDEYIEALNTGKLQQQPGCTAEETLEALILKELSVIRDHAGSACLRELDKSNSPLTMALCGSKGSFINISQMIACVGQQAISGSRVPDGFENRSLPHFEKHSKLPAAKGFVANSFYSGLTPTEFFFHTMAGREGLVDTAVKTAETGYMQRRLVKSLEDLCSQYDLTVRSSTGDIIQFIYGGDGLDPAAMEGKDEPLEFKRVLDNIKAVFPCPSEPALSKNELILTTESIMKKSEFLCCQDSFLQEIKKFIKGVSEKIKKTRDKYGINDNGTTEPRVLYQLDRITPTQVEKFLETCRDKYMRAQMEPGSAVGALCAQSIGEPGTQMTLKTFHFAGVASMNITLGVPRIKEIINASKAISTPIITAQLDKDDDADYARLVKGRIEKTLLGEISEYIEEVFLPDDCFILVKLSLERIRLLRLEVNAETVRYSICTSKLRVKPGDVAVHGEAVVCVTPRENSKSSMYYVLQFLKEDLPKVVVQGIPEVSRAVIHIDEQSGKEKYKLLVEGDNLRAVMATHGVKGTRTTSNNTYEVEKTLGIEAARTTIINEIQYTMVNHGMSIDRRHVMLLSDLMTYKGEVLGITRFGLAKMKESVLMLASFEKTADHLFDAAYFGQKDSVCGVSECIIMGIPMNIGTGLFKLLHKADRDPNPPKRPLIFDTNEFHIPLVT
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 globular. Max score is recommended for pH analysis. (00:00:18)
[INFO] FoldX: Starting FoldX energy minimization (00:00:18)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:44:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ff88ef25b0fbba8/tmp/folded.pdb (00:44:31)
[INFO] Main: Simulation completed successfully. (01:07:02)
|
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 | K | A | -2.6177 | |
| 2 | E | A | -2.9652 | |
| 3 | Q | A | -2.0042 | |
| 4 | F | A | -0.6347 | |
| 5 | R | A | -2.3401 | |
| 6 | E | A | -2.5198 | |
| 7 | T | A | -1.7049 | |
| 8 | D | A | -1.5931 | |
| 9 | V | A | -0.0557 | |
| 10 | A | A | -0.8537 | |
| 11 | K | A | -1.9717 | |
| 12 | K | A | -1.8773 | |
| 13 | I | A | -0.3384 | |
| 14 | S | A | -0.3618 | |
| 15 | H | A | -0.3972 | |
| 16 | I | A | 0.1339 | |
| 17 | C | A | -0.0367 | |
| 18 | F | A | -0.0696 | |
| 19 | G | A | -0.8713 | |
| 20 | M | A | -0.8953 | |
| 21 | K | A | -2.2364 | |
| 22 | S | A | -1.8386 | |
| 23 | P | A | 0.0000 | |
| 24 | E | A | -3.3324 | |
| 25 | E | A | -3.0294 | |
| 26 | M | A | 0.0000 | |
| 27 | R | A | -3.8224 | |
| 28 | Q | A | -3.1229 | |
| 29 | Q | A | -2.4926 | |
| 30 | A | A | -1.8739 | |
| 31 | H | A | -1.8907 | |
| 32 | I | A | 0.0000 | |
| 33 | Q | A | -0.3218 | |
| 34 | V | A | 0.0000 | |
| 35 | V | A | 1.3012 | |
| 36 | S | A | 0.5177 | |
| 37 | K | A | -0.5269 | |
| 38 | N | A | -0.8754 | |
| 39 | L | A | -0.3516 | |
| 40 | Y | A | -0.7855 | |
| 41 | S | A | -1.6103 | |
| 42 | Q | A | -2.5377 | |
| 43 | D | A | -2.9270 | |
| 44 | N | A | -2.9894 | |
| 45 | Q | A | -2.8113 | |
| 46 | H | A | -2.4894 | |
| 47 | A | A | -1.1957 | |
| 48 | P | A | -0.0322 | |
| 49 | L | A | 0.9795 | |
| 50 | L | A | 1.8011 | |
| 51 | Y | A | 1.7493 | |
| 52 | G | A | 0.0000 | |
| 53 | V | A | 0.0000 | |
| 54 | L | A | 0.0000 | |
| 55 | D | A | 0.0000 | |
| 56 | H | A | 0.0000 | |
| 57 | R | A | -1.0148 | |
| 58 | M | A | 0.0000 | |
| 59 | G | A | 0.0000 | |
| 60 | T | A | 0.0000 | |
| 61 | S | A | -0.2192 | |
| 62 | E | A | -1.8144 | |
| 63 | K | A | -3.1387 | |
| 64 | D | A | -3.1397 | |
| 65 | R | A | -2.7163 | |
| 66 | P | A | -2.6226 | |
| 67 | C | A | 0.0000 | |
| 68 | E | A | -2.3183 | |
| 69 | T | A | -1.2933 | |
| 70 | C | A | -0.9453 | |
| 71 | G | A | -1.5660 | |
| 72 | K | A | -2.2179 | |
| 73 | N | A | -2.5991 | |
| 74 | L | A | -1.3880 | |
| 75 | A | A | -1.1106 | |
| 76 | D | A | -1.8116 | |
| 77 | C | A | 0.0000 | |
| 78 | L | A | 1.1574 | |
| 79 | G | A | 0.2489 | |
| 80 | H | A | -0.1624 | |
| 81 | Y | A | -0.7355 | |
| 82 | G | A | 0.0000 | |
| 83 | Y | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | D | A | -1.2550 | |
| 86 | L | A | 0.0000 | |
| 87 | E | A | -1.3504 | |
| 88 | L | A | 0.0000 | |
| 89 | P | A | -0.0600 | |
| 90 | C | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | H | A | -0.3120 | |
| 93 | V | A | -0.2490 | |
| 94 | G | A | -0.6599 | |
| 95 | Y | A | 0.0000 | |
| 96 | F | A | 0.0000 | |
| 97 | R | A | -2.2828 | |
| 98 | A | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | I | A | -1.1357 | |
| 101 | G | A | -1.1387 | |
| 102 | I | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | Q | A | -1.2037 | |
| 105 | M | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | C | A | 0.0000 | |
| 108 | K | A | -0.2588 | |
| 109 | T | A | -0.1480 | |
| 110 | C | A | -0.2345 | |
| 111 | C | A | 0.0000 | |
| 112 | H | A | -0.8273 | |
| 113 | I | A | 0.0000 | |
| 114 | M | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | S | A | -2.2048 | |
| 117 | Q | A | -3.0980 | |
| 118 | E | A | -3.4652 | |
| 119 | E | A | -2.7000 | |
| 120 | K | A | -2.4251 | |
| 121 | K | A | -3.3300 | |
| 122 | Q | A | -2.7475 | |
| 123 | F | A | 0.0000 | |
| 124 | L | A | -1.6468 | |
| 125 | D | A | -1.9617 | |
| 126 | Y | A | -1.3624 | |
| 127 | L | A | -1.4768 | |
| 128 | K | A | -2.4790 | |
| 129 | R | A | -2.6094 | |
| 130 | P | A | -1.5758 | |
| 131 | G | A | -1.1534 | |
| 132 | L | A | -0.8585 | |
| 133 | T | A | -0.8920 | |
| 134 | Y | A | 0.0000 | |
| 135 | L | A | -0.3817 | |
| 136 | Q | A | -1.0630 | |
| 137 | K | A | -1.1487 | |
| 138 | R | A | -1.5729 | |
| 139 | G | A | -1.7334 | |
| 140 | L | A | 0.0000 | |
| 141 | K | A | -2.4660 | |
| 142 | E | A | -3.5951 | |
| 143 | K | A | -3.6441 | |
| 144 | I | A | 0.0000 | |
| 145 | S | A | -2.9816 | |
| 146 | D | A | -3.9050 | |
| 147 | K | A | -3.1984 | |
| 148 | C | A | 0.0000 | |
| 149 | R | A | -3.8940 | |
| 150 | K | A | -3.4314 | |
| 151 | K | A | -2.2960 | |
| 152 | N | A | -1.4499 | |
| 153 | I | A | 0.3284 | |
| 154 | C | A | 0.0000 | |
| 155 | H | A | -1.2343 | |
| 156 | H | A | -0.7890 | |
| 157 | C | A | 0.0567 | |
| 158 | G | A | -0.1861 | |
| 159 | A | A | 0.2808 | |
| 160 | F | A | 0.6123 | |
| 161 | N | A | 0.0000 | |
| 162 | G | A | -1.4436 | |
| 163 | T | A | -1.5951 | |
| 164 | V | A | 0.0000 | |
| 165 | K | A | -2.0423 | |
| 166 | K | A | -2.2044 | |
| 167 | C | A | -0.7811 | |
| 168 | G | A | -0.5669 | |
| 169 | L | A | -0.1820 | |
| 170 | L | A | 0.0000 | |
| 171 | K | A | -0.9897 | |
| 172 | I | A | 0.0000 | |
| 173 | I | A | -1.2204 | |
| 174 | H | A | 0.0000 | |
| 175 | E | A | -2.0612 | |
| 176 | K | A | -1.2050 | |
| 177 | Y | A | -1.7082 | |
| 178 | K | A | -2.7118 | |
| 179 | T | A | -2.2293 | |
| 180 | N | A | -2.7454 | |
| 181 | K | A | -2.6483 | |
| 182 | K | A | -2.1154 | |
| 183 | V | A | 0.1244 | |
| 184 | V | A | -0.8793 | |
| 185 | D | A | -1.5361 | |
| 186 | P | A | -0.7715 | |
| 187 | I | A | -0.2306 | |
| 188 | V | A | 0.0000 | |
| 189 | S | A | -0.9901 | |
| 190 | N | A | -1.5263 | |
| 191 | F | A | -0.6049 | |
| 192 | L | A | -1.0845 | |
| 193 | Q | A | -1.8619 | |
| 194 | S | A | -1.2531 | |
| 195 | F | A | -1.3469 | |
| 196 | E | A | -2.6784 | |
| 197 | T | A | -1.8676 | |
| 198 | A | A | -2.0406 | |
| 199 | I | A | -2.7960 | |
| 200 | E | A | -3.1534 | |
| 201 | H | A | -2.7739 | |
| 202 | N | A | -2.9923 | |
| 203 | K | A | -3.5220 | |
| 204 | E | A | -3.0754 | |
| 205 | V | A | -2.5427 | |
| 206 | E | A | -2.7424 | |
| 207 | P | A | -1.5205 | |
| 208 | L | A | -0.8574 | |
| 209 | L | A | -0.9072 | |
| 210 | G | A | -1.4790 | |
| 211 | R | A | -2.1298 | |
| 212 | A | A | -1.2830 | |
| 213 | Q | A | -1.7609 | |
| 214 | E | A | -1.4052 | |
| 215 | N | A | -1.2300 | |
| 216 | L | A | 0.0000 | |
| 217 | N | A | -0.2171 | |
| 218 | P | A | 0.0000 | |
| 219 | L | A | 0.7552 | |
| 220 | V | A | 0.7051 | |
| 221 | V | A | 0.0000 | |
| 222 | L | A | -0.3199 | |
| 223 | N | A | -0.8946 | |
| 224 | L | A | 0.0000 | |
| 225 | F | A | 0.0000 | |
| 226 | K | A | -2.7185 | |
| 227 | R | A | -2.4727 | |
| 228 | I | A | 0.0000 | |
| 229 | P | A | -1.4135 | |
| 230 | A | A | -1.4824 | |
| 231 | E | A | -1.7983 | |
| 232 | D | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | P | A | -0.5577 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | M | A | 0.0000 | |
| 239 | N | A | -1.2517 | |
| 240 | P | A | -1.6903 | |
| 241 | E | A | -2.2893 | |
| 242 | A | A | 0.0000 | |
| 243 | G | A | 0.0000 | |
| 244 | K | A | -1.7445 | |
| 245 | P | A | 0.0000 | |
| 246 | S | A | -1.1890 | |
| 247 | D | A | -1.1425 | |
| 248 | L | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | T | A | -0.6885 | |
| 252 | R | A | -1.2926 | |
| 253 | L | A | 0.0000 | |
| 254 | L | A | -0.3007 | |
| 255 | V | A | 0.0000 | |
| 256 | P | A | 0.0000 | |
| 257 | P | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | C | A | 1.3808 | |
| 260 | I | A | 1.9640 | |
| 261 | R | A | 0.0000 | |
| 262 | P | A | 0.7602 | |
| 263 | S | A | 0.2581 | |
| 264 | V | A | 0.6352 | |
| 265 | V | A | 0.7720 | |
| 266 | S | A | -0.4782 | |
| 267 | D | A | -1.5084 | |
| 268 | L | A | -0.3960 | |
| 269 | K | A | -1.8117 | |
| 270 | S | A | -1.2453 | |
| 271 | G | A | -1.2130 | |
| 272 | T | A | -1.1022 | |
| 273 | N | A | -1.2937 | |
| 274 | E | A | -0.6108 | |
| 275 | D | A | 0.0000 | |
| 276 | D | A | -0.3888 | |
| 277 | L | A | 0.0000 | |
| 278 | T | A | 0.0000 | |
| 279 | M | A | -0.3632 | |
| 280 | K | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | T | A | -0.2979 | |
| 283 | E | A | -0.5234 | |
| 284 | I | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | F | A | 0.6264 | |
| 287 | L | A | 0.0000 | |
| 288 | N | A | -0.7289 | |
| 289 | D | A | -0.9861 | |
| 290 | V | A | -0.8862 | |
| 291 | I | A | 0.0000 | |
| 292 | K | A | -2.2278 | |
| 293 | K | A | -2.3248 | |
| 294 | H | A | -2.0410 | |
| 295 | R | A | -2.2369 | |
| 296 | I | A | 0.0368 | |
| 297 | S | A | -0.9155 | |
| 298 | G | A | -1.1033 | |
| 299 | A | A | -1.6820 | |
| 300 | K | A | -2.4007 | |
| 301 | T | A | -1.8108 | |
| 302 | Q | A | -1.8400 | |
| 303 | M | A | -1.5548 | |
| 304 | I | A | 0.0000 | |
| 305 | M | A | -0.8198 | |
| 306 | E | A | -1.4663 | |
| 307 | D | A | -0.9396 | |
| 308 | W | A | 0.0000 | |
| 309 | D | A | -0.6992 | |
| 310 | F | A | -0.3209 | |
| 311 | L | A | 0.0000 | |
| 312 | Q | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | Q | A | -0.2848 | |
| 315 | C | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | Y | A | -0.0249 | |
| 319 | I | A | 0.0000 | |
| 320 | N | A | -0.3195 | |
| 321 | S | A | -0.5625 | |
| 322 | E | A | -0.9722 | |
| 323 | L | A | -0.4549 | |
| 324 | S | A | -0.4995 | |
| 325 | G | A | -0.1709 | |
| 326 | I | A | 0.1383 | |
| 327 | P | A | 0.2515 | |
| 328 | L | A | 0.6990 | |
| 329 | N | A | -0.4795 | |
| 330 | M | A | -0.3676 | |
| 331 | A | A | -0.4083 | |
| 332 | P | A | -1.1589 | |
| 333 | K | A | -2.1516 | |
| 334 | K | A | -1.9854 | |
| 335 | W | A | -0.3763 | |
| 336 | T | A | 0.0000 | |
| 337 | R | A | -0.4975 | |
| 338 | G | A | 0.0000 | |
| 339 | F | A | 0.3935 | |
| 340 | V | A | -0.3914 | |
| 341 | Q | A | 0.0000 | |
| 342 | R | A | -1.3571 | |
| 343 | L | A | 0.0000 | |
| 344 | K | A | -2.3895 | |
| 345 | G | A | -2.5171 | |
| 346 | K | A | -3.6012 | |
| 347 | Q | A | -3.3877 | |
| 348 | G | A | 0.0000 | |
| 349 | R | A | -3.1275 | |
| 350 | F | A | 0.0000 | |
| 351 | R | A | -3.8154 | |
| 352 | G | A | -3.6863 | |
| 353 | N | A | -3.4510 | |
| 354 | L | A | -1.3233 | |
| 355 | S | A | -1.6007 | |
| 356 | G | A | -1.7940 | |
| 357 | K | A | -2.8583 | |
| 358 | R | A | -2.4021 | |
| 359 | V | A | -0.3987 | |
| 360 | D | A | -1.1804 | |
| 361 | F | A | 0.2318 | |
| 362 | S | A | -0.4238 | |
| 363 | G | A | -0.8206 | |
| 364 | R | A | -2.3815 | |
| 365 | T | A | -1.6117 | |
| 366 | V | A | -1.1386 | |
| 367 | I | A | 0.0000 | |
| 368 | S | A | -0.9313 | |
| 369 | P | A | -0.7025 | |
| 370 | D | A | 0.0000 | |
| 371 | P | A | -1.1321 | |
| 372 | N | A | -1.5688 | |
| 373 | L | A | 0.0000 | |
| 374 | R | A | -0.8683 | |
| 375 | I | A | 0.0000 | |
| 376 | D | A | 0.0000 | |
| 377 | E | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | V | A | 0.0000 | |
| 381 | P | A | 0.0000 | |
| 382 | V | A | -0.4716 | |
| 383 | H | A | -0.5905 | |
| 384 | V | A | -0.0247 | |
| 385 | A | A | 0.0000 | |
| 386 | K | A | 0.3388 | |
| 387 | I | A | 1.7907 | |
| 388 | L | A | 0.0000 | |
| 389 | T | A | 0.0000 | |
| 390 | F | A | 0.0000 | |
| 391 | P | A | -0.7286 | |
| 392 | E | A | -1.3203 | |
| 393 | K | A | -2.1530 | |
| 394 | V | A | 0.0000 | |
| 395 | N | A | -1.7038 | |
| 396 | K | A | -2.1199 | |
| 397 | A | A | -1.0146 | |
| 398 | N | A | 0.0000 | |
| 399 | I | A | -1.4293 | |
| 400 | N | A | -1.8970 | |
| 401 | F | A | -0.7390 | |
| 402 | L | A | 0.0000 | |
| 403 | R | A | -2.6723 | |
| 404 | K | A | -2.6581 | |
| 405 | L | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | Q | A | -2.2063 | |
| 408 | N | A | -1.6457 | |
| 409 | G | A | 0.0000 | |
| 410 | P | A | -0.4862 | |
| 411 | E | A | -1.3860 | |
| 412 | V | A | -0.4596 | |
| 413 | H | A | -0.2618 | |
| 414 | P | A | -0.7620 | |
| 415 | G | A | 0.0000 | |
| 416 | A | A | 0.0000 | |
| 417 | N | A | -0.1751 | |
| 418 | F | A | -0.2321 | |
| 419 | I | A | 0.0000 | |
| 420 | Q | A | -1.8140 | |
| 421 | Q | A | -2.6619 | |
| 422 | R | A | -2.6549 | |
| 423 | H | A | -2.1116 | |
| 424 | T | A | -1.6809 | |
| 425 | Q | A | -1.6033 | |
| 426 | M | A | -0.7382 | |
| 427 | K | A | -1.6985 | |
| 428 | R | A | -1.7301 | |
| 429 | F | A | -0.1193 | |
| 430 | L | A | 0.0000 | |
| 431 | K | A | -0.9709 | |
| 432 | Y | A | 0.1413 | |
| 433 | G | A | -1.1894 | |
| 434 | N | A | -2.2413 | |
| 435 | R | A | -2.5437 | |
| 436 | E | A | -3.0814 | |
| 437 | K | A | -3.0349 | |
| 438 | M | A | 0.0000 | |
| 439 | A | A | 0.0000 | |
| 440 | Q | A | -2.9581 | |
| 441 | E | A | -2.9485 | |
| 442 | L | A | 0.0000 | |
| 443 | K | A | -1.7832 | |
| 444 | Y | A | -0.6865 | |
| 445 | G | A | -1.3416 | |
| 446 | D | A | 0.0000 | |
| 447 | I | A | -1.2058 | |
| 448 | V | A | 0.0000 | |
| 449 | E | A | 0.0000 | |
| 450 | R | A | 0.0000 | |
| 451 | H | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | I | A | -0.8718 | |
| 454 | D | A | -2.2165 | |
| 455 | G | A | -1.3148 | |
| 456 | D | A | 0.0000 | |
| 457 | V | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | L | A | 0.3052 | |
| 460 | F | A | 0.0000 | |
| 461 | N | A | -0.9798 | |
| 462 | R | A | -1.6941 | |
| 463 | Q | A | -1.9777 | |
| 464 | P | A | -1.0865 | |
| 465 | S | A | -0.8889 | |
| 466 | L | A | -0.4556 | |
| 467 | H | A | -0.4890 | |
| 468 | K | A | -0.7188 | |
| 469 | L | A | 0.0000 | |
| 470 | S | A | 0.0000 | |
| 471 | I | A | -0.0049 | |
| 472 | M | A | 0.0000 | |
| 473 | A | A | 0.0000 | |
| 474 | H | A | 0.0000 | |
| 475 | L | A | -0.3307 | |
| 476 | A | A | 0.0000 | |
| 477 | R | A | -1.8668 | |
| 478 | V | A | -1.2160 | |
| 479 | K | A | -1.5204 | |
| 480 | P | A | -1.2878 | |
| 481 | H | A | -2.1580 | |
| 482 | R | A | -2.4098 | |
| 483 | T | A | -1.6635 | |
| 484 | F | A | 0.0000 | |
| 485 | R | A | -1.0152 | |
| 486 | F | A | 0.0000 | |
| 487 | N | A | 0.0000 | |
| 488 | E | A | -0.7989 | |
| 489 | C | A | 0.0000 | |
| 490 | V | A | 0.0000 | |
| 491 | C | A | -0.7028 | |
| 492 | T | A | -0.6279 | |
| 493 | P | A | 0.0000 | |
| 494 | Y | A | 0.0000 | |
| 495 | N | A | -1.6743 | |
| 496 | A | A | -2.0461 | |
| 497 | D | A | -2.8508 | |
| 498 | F | A | -2.1303 | |
| 499 | D | A | -2.6613 | |
| 500 | G | A | -1.8207 | |
| 501 | D | A | -2.0198 | |
| 502 | E | A | -2.5293 | |
| 503 | M | A | 0.0000 | |
| 504 | N | A | -1.5388 | |
| 505 | L | A | 0.0000 | |
| 506 | H | A | -0.4452 | |
| 507 | L | A | 0.0000 | |
| 508 | P | A | -1.0585 | |
| 509 | Q | A | -1.2369 | |
| 510 | T | A | -1.9377 | |
| 511 | E | A | -3.1972 | |
| 512 | E | A | -3.0310 | |
| 513 | A | A | -1.7240 | |
| 514 | K | A | -1.2053 | |
| 515 | A | A | -0.7775 | |
| 516 | E | A | -0.5698 | |
| 517 | A | A | 0.0000 | |
| 518 | L | A | 1.3048 | |
| 519 | V | A | 2.2511 | |
| 520 | L | A | 1.9606 | |
| 521 | M | A | 1.2069 | |
| 522 | G | A | 0.0000 | |
| 523 | T | A | 0.0000 | |
| 524 | K | A | -0.8002 | |
| 525 | A | A | 0.1097 | |
| 526 | N | A | 0.0000 | |
| 527 | L | A | 0.0000 | |
| 528 | V | A | 0.0000 | |
| 529 | T | A | 0.0000 | |
| 530 | P | A | -0.3907 | |
| 531 | R | A | -0.6502 | |
| 532 | N | A | -1.1124 | |
| 533 | G | A | 0.0000 | |
| 534 | E | A | -0.8011 | |
| 535 | P | A | 0.0000 | |
| 536 | L | A | -0.0721 | |
| 537 | I | A | 0.0000 | |
| 538 | A | A | 0.0000 | |
| 539 | A | A | 0.0000 | |
| 540 | I | A | -0.6133 | |
| 541 | Q | A | -1.2800 | |
| 542 | D | A | -0.9505 | |
| 543 | F | A | 0.0000 | |
| 544 | L | A | 0.0000 | |
| 545 | T | A | 0.0000 | |
| 546 | G | A | 0.0000 | |
| 547 | A | A | 0.0000 | |
| 548 | Y | A | 0.0256 | |
| 549 | L | A | 0.0000 | |
| 550 | L | A | 0.0000 | |
| 551 | T | A | 0.0000 | |
| 552 | L | A | -1.2534 | |
| 553 | K | A | -2.4923 | |
| 554 | D | A | -2.1456 | |
| 555 | T | A | -0.8285 | |
| 556 | F | A | -0.1563 | |
| 557 | F | A | 0.0000 | |
| 558 | D | A | -2.3973 | |
| 559 | R | A | -2.9174 | |
| 560 | A | A | -1.9514 | |
| 561 | K | A | -2.1731 | |
| 562 | A | A | 0.0000 | |
| 563 | C | A | -1.2462 | |
| 564 | Q | A | -1.6795 | |
| 565 | I | A | 0.0000 | |
| 566 | I | A | 0.0000 | |
| 567 | A | A | -0.5209 | |
| 568 | S | A | -0.2927 | |
| 569 | I | A | 0.0000 | |
| 570 | L | A | -1.1104 | |
| 571 | V | A | -1.1812 | |
| 572 | G | A | -2.0340 | |
| 573 | K | A | -2.6722 | |
| 574 | D | A | 0.0000 | |
| 575 | E | A | -3.1033 | |
| 576 | K | A | -3.0929 | |
| 577 | I | A | -2.2193 | |
| 578 | K | A | -2.3484 | |
| 579 | V | A | -1.0340 | |
| 580 | R | A | -0.7290 | |
| 581 | L | A | -0.4301 | |
| 582 | P | A | 0.0000 | |
| 583 | P | A | -0.1915 | |
| 584 | P | A | 0.1206 | |
| 585 | T | A | 0.6481 | |
| 586 | I | A | 1.0491 | |
| 587 | L | A | 1.1941 | |
| 588 | K | A | -0.6019 | |
| 589 | P | A | -0.1275 | |
| 590 | V | A | 0.6076 | |
| 591 | T | A | 0.1290 | |
| 592 | L | A | -0.1308 | |
| 593 | W | A | 0.0000 | |
| 594 | T | A | 0.0000 | |
| 595 | G | A | 0.0000 | |
| 596 | K | A | -0.3988 | |
| 597 | Q | A | 0.0000 | |
| 598 | I | A | 0.0000 | |
| 599 | F | A | 0.0000 | |
| 600 | S | A | 0.0000 | |
| 601 | V | A | 0.0000 | |
| 602 | I | A | 0.0000 | |
| 603 | L | A | 0.0000 | |
| 604 | R | A | -1.1214 | |
| 605 | P | A | 0.0000 | |
| 606 | S | A | -1.6412 | |
| 607 | D | A | -2.3778 | |
| 608 | D | A | -2.6557 | |
| 609 | N | A | -1.6781 | |
| 610 | P | A | -1.1187 | |
| 611 | V | A | 0.0000 | |
| 612 | R | A | -0.6937 | |
| 613 | A | A | 0.0000 | |
| 614 | N | A | 0.0000 | |
| 615 | L | A | 0.0000 | |
| 616 | R | A | -2.0021 | |
| 617 | T | A | -2.0073 | |
| 618 | K | A | -2.7166 | |
| 619 | G | A | 0.0000 | |
| 620 | K | A | -1.9088 | |
| 621 | Q | A | -1.3191 | |
| 622 | Y | A | -1.8457 | |
| 623 | C | A | -1.2508 | |
| 624 | G | A | -1.7134 | |
| 625 | K | A | -2.2982 | |
| 626 | G | A | 0.0000 | |
| 627 | E | A | -2.9848 | |
| 628 | D | A | -2.3653 | |
| 629 | L | A | -0.3042 | |
| 630 | C | A | -1.1979 | |
| 631 | A | A | -0.8124 | |
| 632 | N | A | -1.2372 | |
| 633 | D | A | -1.4202 | |
| 634 | S | A | 0.0000 | |
| 635 | Y | A | -1.8886 | |
| 636 | V | A | 0.0000 | |
| 637 | T | A | 0.0000 | |
| 638 | I | A | 0.0000 | |
| 639 | Q | A | -0.7696 | |
| 640 | N | A | -0.6983 | |
| 641 | S | A | 0.0000 | |
| 642 | E | A | -0.5689 | |
| 643 | L | A | 0.0000 | |
| 644 | M | A | 0.2139 | |
| 645 | S | A | -0.3602 | |
| 646 | G | A | 0.0000 | |
| 647 | S | A | 0.0000 | |
| 648 | M | A | 0.0000 | |
| 649 | D | A | 0.0000 | |
| 650 | K | A | -1.2972 | |
| 651 | G | A | -1.4922 | |
| 652 | T | A | 0.0000 | |
| 653 | L | A | 0.0000 | |
| 654 | G | A | 0.0000 | |
| 655 | S | A | -0.4809 | |
| 656 | G | A | -0.9133 | |
| 657 | S | A | -0.9175 | |
| 658 | K | A | -1.1449 | |
| 659 | N | A | -1.2674 | |
| 660 | N | A | 0.0000 | |
| 661 | I | A | 0.0000 | |
| 662 | F | A | 0.0000 | |
| 663 | Y | A | 0.0000 | |
| 664 | I | A | 0.0000 | |
| 665 | L | A | 0.0000 | |
| 666 | L | A | -0.7742 | |
| 667 | R | A | -0.6669 | |
| 668 | D | A | -0.6068 | |
| 669 | W | A | -0.5900 | |
| 670 | G | A | -1.0927 | |
| 671 | Q | A | -1.8415 | |
| 672 | N | A | -1.9690 | |
| 673 | E | A | -1.3844 | |
| 674 | A | A | 0.0000 | |
| 675 | A | A | 0.0000 | |
| 676 | D | A | 0.0000 | |
| 677 | A | A | 0.0000 | |
| 678 | M | A | 0.0000 | |
| 679 | S | A | -0.5715 | |
| 680 | R | A | 0.0000 | |
| 681 | L | A | 0.0000 | |
| 682 | A | A | 0.0000 | |
| 683 | R | A | -0.8646 | |
| 684 | L | A | 0.0000 | |
| 685 | A | A | 0.0000 | |
| 686 | P | A | -0.5906 | |
| 687 | V | A | -0.5867 | |
| 688 | Y | A | 0.0000 | |
| 689 | L | A | -0.8692 | |
| 690 | S | A | -1.1728 | |
| 691 | N | A | -2.0932 | |
| 692 | R | A | -2.1573 | |
| 693 | G | A | -1.2523 | |
| 694 | F | A | -0.0687 | |
| 695 | S | A | 0.5999 | |
| 696 | I | A | 1.6815 | |
| 697 | G | A | 1.1930 | |
| 698 | I | A | 1.9484 | |
| 699 | G | A | 0.3614 | |
| 700 | D | A | 0.2299 | |
| 701 | V | A | 0.0000 | |
| 702 | T | A | 0.2469 | |
| 703 | P | A | -0.2226 | |
| 704 | G | A | -1.6181 | |
| 705 | Q | A | -1.9099 | |
| 706 | G | A | -1.8894 | |
| 707 | L | A | 0.0000 | |
| 708 | L | A | -0.9276 | |
| 709 | K | A | -1.9220 | |
| 710 | A | A | -1.3634 | |
| 711 | K | A | 0.0000 | |
| 712 | Y | A | -0.1657 | |
| 713 | E | A | -1.7123 | |
| 714 | L | A | -1.2247 | |
| 715 | L | A | -0.6470 | |
| 716 | N | A | -1.7683 | |
| 717 | A | A | -1.3930 | |
| 718 | G | A | 0.0000 | |
| 719 | Y | A | -1.8995 | |
| 720 | K | A | -3.2331 | |
| 721 | K | A | -3.3049 | |
| 722 | C | A | 0.0000 | |
| 723 | D | A | -3.4086 | |
| 724 | E | A | -3.8460 | |
| 725 | Y | A | -2.7113 | |
| 726 | I | A | 0.0000 | |
| 727 | E | A | -3.5297 | |
| 728 | A | A | -2.6853 | |
| 729 | L | A | -2.8382 | |
| 730 | N | A | -2.5714 | |
| 731 | T | A | -1.6089 | |
| 732 | G | A | -1.9244 | |
| 733 | K | A | -2.7146 | |
| 734 | L | A | 0.0000 | |
| 735 | Q | A | -2.3816 | |
| 736 | Q | A | -3.0252 | |
| 737 | Q | A | -2.2554 | |
| 738 | P | A | -1.1145 | |
| 739 | G | A | -0.9544 | |
| 740 | C | A | -1.2870 | |
| 741 | T | A | -1.7528 | |
| 742 | A | A | -2.6944 | |
| 743 | E | A | -3.1505 | |
| 744 | E | A | -3.0675 | |
| 745 | T | A | 0.0000 | |
| 746 | L | A | 0.0000 | |
| 747 | E | A | -1.4577 | |
| 748 | A | A | -1.2924 | |
| 749 | L | A | -1.3255 | |
| 750 | I | A | 0.0000 | |
| 751 | L | A | -0.5201 | |
| 752 | K | A | -1.5804 | |
| 753 | E | A | -1.2732 | |
| 754 | L | A | 0.0000 | |
| 755 | S | A | -1.0989 | |
| 756 | V | A | -0.7704 | |
| 757 | I | A | 0.0000 | |
| 758 | R | A | -1.3450 | |
| 759 | D | A | -1.7421 | |
| 760 | H | A | -1.6095 | |
| 761 | A | A | 0.0000 | |
| 762 | G | A | 0.0000 | |
| 763 | S | A | -1.0234 | |
| 764 | A | A | -1.6226 | |
| 765 | C | A | 0.0000 | |
| 766 | L | A | -0.7557 | |
| 767 | R | A | -2.6306 | |
| 768 | E | A | -2.5512 | |
| 769 | L | A | -2.1301 | |
| 770 | D | A | -3.1011 | |
| 771 | K | A | -2.8673 | |
| 772 | S | A | -1.3681 | |
| 773 | N | A | 0.0000 | |
| 774 | S | A | -0.0961 | |
| 775 | P | A | -0.1145 | |
| 776 | L | A | 0.0000 | |
| 777 | T | A | 0.0000 | |
| 778 | M | A | 0.0000 | |
| 779 | A | A | 0.0000 | |
| 780 | L | A | -0.3934 | |
| 781 | C | A | 0.0000 | |
| 782 | G | A | 0.0000 | |
| 783 | S | A | 0.0000 | |
| 784 | K | A | -2.3145 | |
| 785 | G | A | -1.1450 | |
| 786 | S | A | 0.0021 | |
| 787 | F | A | 1.3730 | |
| 788 | I | A | 1.4606 | |
| 789 | N | A | -0.2193 | |
| 790 | I | A | 0.0000 | |
| 791 | S | A | 0.0000 | |
| 792 | Q | A | 0.1946 | |
| 793 | M | A | 0.7089 | |
| 794 | I | A | 0.0000 | |
| 795 | A | A | 0.0000 | |
| 796 | C | A | 0.0000 | |
| 797 | V | A | 0.0000 | |
| 798 | G | A | 0.0000 | |
| 799 | Q | A | -0.4599 | |
| 800 | Q | A | -0.3618 | |
| 801 | A | A | -0.3361 | |
| 802 | I | A | -0.4506 | |
| 803 | S | A | -0.5767 | |
| 804 | G | A | -0.7096 | |
| 805 | S | A | -0.4290 | |
| 806 | R | A | 0.0000 | |
| 807 | V | A | 0.0000 | |
| 808 | P | A | -1.2310 | |
| 809 | D | A | -2.7832 | |
| 810 | G | A | -1.3983 | |
| 811 | F | A | -0.9658 | |
| 812 | E | A | -2.5558 | |
| 813 | N | A | -3.0830 | |
| 814 | R | A | -3.1633 | |
| 815 | S | A | 0.0000 | |
| 816 | L | A | 0.0000 | |
| 817 | P | A | -1.3892 | |
| 818 | H | A | -1.6349 | |
| 819 | F | A | -1.9589 | |
| 820 | E | A | -3.2257 | |
| 821 | K | A | -3.9217 | |
| 822 | H | A | -3.1566 | |
| 823 | S | A | -1.8343 | |
| 824 | K | A | -1.6686 | |
| 825 | L | A | -0.3823 | |
| 826 | P | A | 0.0000 | |
| 827 | A | A | 0.0266 | |
| 828 | A | A | 0.0000 | |
| 829 | K | A | -0.7452 | |
| 830 | G | A | 0.0000 | |
| 831 | F | A | 0.0000 | |
| 832 | V | A | 0.0000 | |
| 833 | A | A | -0.0540 | |
| 834 | N | A | -0.1209 | |
| 835 | S | A | 0.0000 | |
| 836 | F | A | 1.2007 | |
| 837 | Y | A | 1.1483 | |
| 838 | S | A | 0.2121 | |
| 839 | G | A | 0.3887 | |
| 840 | L | A | 0.0000 | |
| 841 | T | A | 0.3419 | |
| 842 | P | A | 0.5215 | |
| 843 | T | A | 0.4506 | |
| 844 | E | A | 0.0000 | |
| 845 | F | A | 2.0118 | |
| 846 | F | A | 1.4203 | |
| 847 | F | A | 0.0000 | |
| 848 | H | A | 0.2258 | |
| 849 | T | A | -0.0499 | |
| 850 | M | A | -0.0853 | |
| 851 | A | A | -0.4614 | |
| 852 | G | A | -0.7902 | |
| 853 | R | A | -1.4978 | |
| 854 | E | A | -0.8715 | |
| 855 | G | A | -0.2693 | |
| 856 | L | A | 0.9440 | |
| 857 | V | A | 0.8750 | |
| 858 | D | A | 0.1608 | |
| 859 | T | A | 0.2477 | |
| 860 | A | A | 0.7155 | |
| 861 | V | A | 0.6264 | |
| 862 | K | A | -0.2763 | |
| 863 | T | A | -0.0843 | |
| 864 | A | A | 0.0917 | |
| 865 | E | A | -0.3951 | |
| 866 | T | A | 0.0000 | |
| 867 | G | A | -0.2556 | |
| 868 | Y | A | 0.1415 | |
| 869 | M | A | 0.0000 | |
| 870 | Q | A | -1.0740 | |
| 871 | R | A | -1.9030 | |
| 872 | R | A | -1.7893 | |
| 873 | L | A | 0.0000 | |
| 874 | V | A | -0.9155 | |
| 875 | K | A | -1.4305 | |
| 876 | S | A | 0.0000 | |
| 877 | L | A | 0.0000 | |
| 878 | E | A | -0.6168 | |
| 879 | D | A | 0.0000 | |
| 880 | L | A | 0.0000 | |
| 881 | C | A | 0.0000 | |
| 882 | S | A | 0.0000 | |
| 883 | Q | A | 0.2045 | |
| 884 | Y | A | 0.6101 | |
| 885 | D | A | -0.5292 | |
| 886 | L | A | -0.0878 | |
| 887 | T | A | 0.0000 | |
| 888 | V | A | 0.0000 | |
| 889 | R | A | -0.4958 | |
| 890 | S | A | -0.7793 | |
| 891 | S | A | -0.7033 | |
| 892 | T | A | -0.7826 | |
| 893 | G | A | -0.9249 | |
| 894 | D | A | -1.2825 | |
| 895 | I | A | -0.0005 | |
| 896 | I | A | 0.0000 | |
| 897 | Q | A | 0.0000 | |
| 898 | F | A | 1.8971 | |
| 899 | I | A | 0.9651 | |
| 900 | Y | A | 0.0000 | |
| 901 | G | A | 0.0000 | |
| 902 | G | A | -0.2683 | |
| 903 | D | A | -0.9737 | |
| 904 | G | A | 0.0000 | |
| 905 | L | A | 0.0000 | |
| 906 | D | A | -1.4941 | |
| 907 | P | A | 0.0000 | |
| 908 | A | A | -0.4799 | |
| 909 | A | A | -1.0290 | |
| 910 | M | A | 0.0000 | |
| 911 | E | A | 0.0000 | |
| 912 | G | A | -2.3237 | |
| 913 | K | A | -3.2493 | |
| 914 | D | A | -3.5995 | |
| 915 | E | A | -3.3213 | |
| 916 | P | A | 0.0000 | |
| 917 | L | A | 0.0000 | |
| 918 | E | A | -1.5385 | |
| 919 | F | A | -1.1675 | |
| 920 | K | A | -1.9001 | |
| 921 | R | A | -1.4893 | |
| 922 | V | A | 0.0000 | |
| 923 | L | A | 0.0000 | |
| 924 | D | A | -1.1902 | |
| 925 | N | A | 0.0000 | |
| 926 | I | A | 0.0000 | |
| 927 | K | A | -0.5394 | |
| 928 | A | A | -0.2826 | |
| 929 | V | A | 0.1050 | |
| 930 | F | A | 0.4068 | |
| 931 | P | A | -0.0721 | |
| 932 | C | A | -0.3022 | |
| 933 | P | A | -0.6514 | |
| 934 | S | A | -0.6367 | |
| 935 | E | A | -0.8387 | |
| 936 | P | A | -0.8075 | |
| 937 | A | A | -1.0716 | |
| 938 | L | A | 0.0000 | |
| 939 | S | A | 0.0000 | |
| 940 | K | A | -2.7396 | |
| 941 | N | A | -2.1497 | |
| 942 | E | A | -1.5193 | |
| 943 | L | A | 0.0000 | |
| 944 | I | A | -0.8726 | |
| 945 | L | A | 0.4826 | |
| 946 | T | A | -0.1181 | |
| 947 | T | A | 0.0000 | |
| 948 | E | A | -1.1127 | |
| 949 | S | A | -0.8398 | |
| 950 | I | A | -1.4995 | |
| 951 | M | A | 0.0000 | |
| 952 | K | A | -2.7104 | |
| 953 | K | A | -2.8725 | |
| 954 | S | A | -1.6880 | |
| 955 | E | A | -2.2802 | |
| 956 | F | A | 0.0000 | |
| 957 | L | A | 0.0142 | |
| 958 | C | A | 0.1725 | |
| 959 | C | A | 0.0000 | |
| 960 | Q | A | -1.8702 | |
| 961 | D | A | -2.5807 | |
| 962 | S | A | -2.2341 | |
| 963 | F | A | 0.0000 | |
| 964 | L | A | -2.0673 | |
| 965 | Q | A | -3.0026 | |
| 966 | E | A | -3.2194 | |
| 967 | I | A | 0.0000 | |
| 968 | K | A | -2.5137 | |
| 969 | K | A | -3.1084 | |
| 970 | F | A | -2.0272 | |
| 971 | I | A | 0.0000 | |
| 972 | K | A | -2.8110 | |
| 973 | G | A | -2.3634 | |
| 974 | V | A | -2.1074 | |
| 975 | S | A | 0.0000 | |
| 976 | E | A | -3.9099 | |
| 977 | K | A | -3.5512 | |
| 978 | I | A | 0.0000 | |
| 979 | K | A | -3.8138 | |
| 980 | K | A | -4.1282 | |
| 981 | T | A | 0.0000 | |
| 982 | R | A | 0.0000 | |
| 983 | D | A | -3.5427 | |
| 984 | K | A | -2.9213 | |
| 985 | Y | A | -1.1357 | |
| 986 | G | A | -1.6425 | |
| 987 | I | A | 0.0000 | |
| 988 | N | A | -2.3346 | |
| 989 | D | A | -2.8377 | |
| 990 | N | A | -2.1964 | |
| 991 | G | A | -1.9909 | |
| 992 | T | A | -1.7020 | |
| 993 | T | A | -1.8762 | |
| 994 | E | A | -2.2959 | |
| 995 | P | A | -1.2601 | |
| 996 | R | A | -1.7691 | |
| 997 | V | A | 0.4704 | |
| 998 | L | A | 0.0483 | |
| 999 | Y | A | 0.0000 | |
| 1000 | Q | A | -0.5899 | |
| 1001 | L | A | 0.5453 | |
| 1002 | D | A | -0.5897 | |
| 1003 | R | A | -0.4961 | |
| 1004 | I | A | 0.0000 | |
| 1005 | T | A | 0.0000 | |
| 1006 | P | A | -0.6534 | |
| 1007 | T | A | -0.5604 | |
| 1008 | Q | A | 0.0000 | |
| 1009 | V | A | 0.0000 | |
| 1010 | E | A | -1.2712 | |
| 1011 | K | A | -1.1207 | |
| 1012 | F | A | 0.0000 | |
| 1013 | L | A | 0.0000 | |
| 1014 | E | A | -1.5847 | |
| 1015 | T | A | -1.1121 | |
| 1016 | C | A | 0.0000 | |
| 1017 | R | A | -1.2589 | |
| 1018 | D | A | -1.9651 | |
| 1019 | K | A | -1.5069 | |
| 1020 | Y | A | 0.0000 | |
| 1021 | M | A | -1.1302 | |
| 1022 | R | A | -2.3975 | |
| 1023 | A | A | 0.0000 | |
| 1024 | Q | A | -1.4158 | |
| 1025 | M | A | 0.0000 | |
| 1026 | E | A | -2.1513 | |
| 1027 | P | A | -0.4776 | |
| 1028 | G | A | 0.0000 | |
| 1029 | S | A | -0.6059 | |
| 1030 | A | A | -0.4118 | |
| 1031 | V | A | 0.0000 | |
| 1032 | G | A | 0.0000 | |
| 1033 | A | A | 0.0000 | |
| 1034 | L | A | -0.0849 | |
| 1035 | C | A | 0.0000 | |
| 1036 | A | A | 0.0000 | |
| 1037 | Q | A | -0.6506 | |
| 1038 | S | A | 0.0000 | |
| 1039 | I | A | 0.0000 | |
| 1040 | G | A | 0.0000 | |
| 1041 | E | A | -0.5249 | |
| 1042 | P | A | 0.0000 | |
| 1043 | G | A | 0.0000 | |
| 1044 | T | A | -0.6552 | |
| 1045 | Q | A | -0.9149 | |
| 1046 | M | A | 0.0000 | |
| 1047 | T | A | -0.5335 | |
| 1048 | L | A | 0.0262 | |
| 1049 | K | A | -1.0765 | |
| 1050 | T | A | -0.6627 | |
| 1051 | F | A | -0.0895 | |
| 1052 | H | A | -0.7986 | |
| 1053 | F | A | -0.1806 | |
| 1054 | A | A | -0.4375 | |
| 1055 | G | A | -0.3985 | |
| 1056 | V | A | 0.0000 | |
| 1057 | A | A | -0.4021 | |
| 1058 | S | A | -0.6550 | |
| 1059 | M | A | 0.0000 | |
| 1060 | N | A | -0.9815 | |
| 1061 | I | A | -0.2986 | |
| 1062 | T | A | -0.1792 | |
| 1063 | L | A | 0.0000 | |
| 1064 | G | A | 0.0000 | |
| 1065 | V | A | 0.0000 | |
| 1066 | P | A | -0.2216 | |
| 1067 | R | A | 0.0000 | |
| 1068 | I | A | 0.0000 | |
| 1069 | K | A | -0.5848 | |
| 1070 | E | A | -0.7546 | |
| 1071 | I | A | 0.0000 | |
| 1072 | I | A | 0.0000 | |
| 1073 | N | A | -0.6722 | |
| 1074 | A | A | -0.7147 | |
| 1075 | S | A | -0.9497 | |
| 1076 | K | A | -1.6650 | |
| 1077 | A | A | -1.0469 | |
| 1078 | I | A | -0.5400 | |
| 1079 | S | A | -0.2128 | |
| 1080 | T | A | -0.3054 | |
| 1081 | P | A | -0.6890 | |
| 1082 | I | A | 0.0000 | |
| 1083 | I | A | 0.0000 | |
| 1084 | T | A | -0.5572 | |
| 1085 | A | A | 0.0000 | |
| 1086 | Q | A | -1.8512 | |
| 1087 | L | A | 0.0000 | |
| 1088 | D | A | -3.5948 | |
| 1089 | K | A | -3.7467 | |
| 1090 | D | A | -3.4995 | |
| 1091 | D | A | -4.2388 | |
| 1092 | D | A | -3.4606 | |
| 1093 | A | A | -2.3027 | |
| 1094 | D | A | -2.5939 | |
| 1095 | Y | A | -2.2849 | |
| 1096 | A | A | 0.0000 | |
| 1097 | R | A | -2.5541 | |
| 1098 | L | A | -1.5022 | |
| 1099 | V | A | 0.0000 | |
| 1100 | K | A | -1.6388 | |
| 1101 | G | A | -1.6867 | |
| 1102 | R | A | -1.7157 | |
| 1103 | I | A | 0.0000 | |
| 1104 | E | A | -1.4793 | |
| 1105 | K | A | -1.4829 | |
| 1106 | T | A | -0.9565 | |
| 1107 | L | A | -0.8865 | |
| 1108 | L | A | 0.0000 | |
| 1109 | G | A | -1.7299 | |
| 1110 | E | A | -1.9638 | |
| 1111 | I | A | 0.0000 | |
| 1112 | S | A | -1.6004 | |
| 1113 | E | A | -2.4025 | |
| 1114 | Y | A | -1.0238 | |
| 1115 | I | A | -1.1775 | |
| 1116 | E | A | -1.4014 | |
| 1117 | E | A | -0.9594 | |
| 1118 | V | A | 0.6833 | |
| 1119 | F | A | 1.4890 | |
| 1120 | L | A | 0.5585 | |
| 1121 | P | A | -0.7494 | |
| 1122 | D | A | -2.1622 | |
| 1123 | D | A | -1.8046 | |
| 1124 | C | A | -0.2920 | |
| 1125 | F | A | -0.0286 | |
| 1126 | I | A | 0.0000 | |
| 1127 | L | A | -0.3062 | |
| 1128 | V | A | 0.0000 | |
| 1129 | K | A | -1.4193 | |
| 1130 | L | A | 0.0000 | |
| 1131 | S | A | -2.2133 | |
| 1132 | L | A | -2.0153 | |
| 1133 | E | A | -2.8500 | |
| 1134 | R | A | -2.7284 | |
| 1135 | I | A | 0.0000 | |
| 1136 | R | A | -2.8824 | |
| 1137 | L | A | -0.5855 | |
| 1138 | L | A | -1.4132 | |
| 1139 | R | A | -2.9419 | |
| 1140 | L | A | 0.0000 | |
| 1141 | E | A | -2.7007 | |
| 1142 | V | A | 0.0000 | |
| 1143 | N | A | -2.1515 | |
| 1144 | A | A | 0.0000 | |
| 1145 | E | A | -1.8126 | |
| 1146 | T | A | -1.0777 | |
| 1147 | V | A | 0.0000 | |
| 1148 | R | A | -0.3372 | |
| 1149 | Y | A | 0.6139 | |
| 1150 | S | A | 0.2988 | |
| 1151 | I | A | 0.0000 | |
| 1152 | C | A | -1.0214 | |
| 1153 | T | A | -0.5643 | |
| 1154 | S | A | -1.1797 | |
| 1155 | K | A | -1.1650 | |
| 1156 | L | A | -1.7346 | |
| 1157 | R | A | -3.0194 | |
| 1158 | V | A | 0.0000 | |
| 1159 | K | A | -2.8478 | |
| 1160 | P | A | -1.3787 | |
| 1161 | G | A | -1.1830 | |
| 1162 | D | A | -1.3960 | |
| 1163 | V | A | 0.0000 | |
| 1164 | A | A | -0.1199 | |
| 1165 | V | A | -0.5291 | |
| 1166 | H | A | -1.1997 | |
| 1167 | G | A | -1.5557 | |
| 1168 | E | A | -2.3954 | |
| 1169 | A | A | -1.7779 | |
| 1170 | V | A | -1.0052 | |
| 1171 | V | A | 0.0000 | |
| 1172 | C | A | 0.0000 | |
| 1173 | V | A | 0.0000 | |
| 1174 | T | A | -1.0028 | |
| 1175 | P | A | -1.5185 | |
| 1176 | R | A | -2.7844 | |
| 1177 | E | A | -2.4980 | |
| 1178 | N | A | -2.1036 | |
| 1179 | S | A | -1.9105 | |
| 1180 | K | A | -2.1641 | |
| 1181 | S | A | -1.2211 | |
| 1182 | S | A | -0.3945 | |
| 1183 | M | A | 0.6535 | |
| 1184 | Y | A | 0.7081 | |
| 1185 | Y | A | 1.1544 | |
| 1186 | V | A | 0.1863 | |
| 1187 | L | A | 0.0000 | |
| 1188 | Q | A | -1.4203 | |
| 1189 | F | A | -0.6453 | |
| 1190 | L | A | 0.0000 | |
| 1191 | K | A | -2.3938 | |
| 1192 | E | A | -2.7837 | |
| 1193 | D | A | -1.9596 | |
| 1194 | L | A | 0.0000 | |
| 1195 | P | A | -1.6574 | |
| 1196 | K | A | -2.2257 | |
| 1197 | V | A | 0.0000 | |
| 1198 | V | A | -0.3299 | |
| 1199 | V | A | 0.0000 | |
| 1200 | Q | A | -0.7847 | |
| 1201 | G | A | -1.1783 | |
| 1202 | I | A | 0.0000 | |
| 1203 | P | A | -1.3087 | |
| 1204 | E | A | -2.3637 | |
| 1205 | V | A | 0.0000 | |
| 1206 | S | A | -1.4295 | |
| 1207 | R | A | -1.2631 | |
| 1208 | A | A | 0.0000 | |
| 1209 | V | A | -0.4422 | |
| 1210 | I | A | -0.3672 | |
| 1211 | H | A | -0.1168 | |
| 1212 | I | A | -0.6754 | |
| 1213 | D | A | -2.3225 | |
| 1214 | E | A | -3.2624 | |
| 1215 | Q | A | -3.2551 | |
| 1216 | S | A | -2.3375 | |
| 1217 | G | A | -2.3737 | |
| 1218 | K | A | -4.0020 | |
| 1219 | E | A | -4.2715 | |
| 1220 | K | A | -3.6301 | |
| 1221 | Y | A | -2.3662 | |
| 1222 | K | A | -1.7803 | |
| 1223 | L | A | 0.0000 | |
| 1224 | L | A | 0.0000 | |
| 1225 | V | A | 0.0000 | |
| 1226 | E | A | -1.2347 | |
| 1227 | G | A | 0.0000 | |
| 1228 | D | A | -2.6571 | |
| 1229 | N | A | -2.1266 | |
| 1230 | L | A | 0.0000 | |
| 1231 | R | A | -2.1819 | |
| 1232 | A | A | -1.4450 | |
| 1233 | V | A | 0.0000 | |
| 1234 | M | A | -1.1759 | |
| 1235 | A | A | -0.7757 | |
| 1236 | T | A | -0.9709 | |
| 1237 | H | A | -1.3773 | |
| 1238 | G | A | -1.7115 | |
| 1239 | V | A | 0.0000 | |
| 1240 | K | A | -2.3261 | |
| 1241 | G | A | -1.6335 | |
| 1242 | T | A | -1.0952 | |
| 1243 | R | A | -2.3260 | |
| 1244 | T | A | 0.0000 | |
| 1245 | T | A | -0.6738 | |
| 1246 | S | A | 0.0000 | |
| 1247 | N | A | -0.2345 | |
| 1248 | N | A | 0.0000 | |
| 1249 | T | A | 0.0000 | |
| 1250 | Y | A | -0.8744 | |
| 1251 | E | A | -1.4564 | |
| 1252 | V | A | 0.0000 | |
| 1253 | E | A | -1.5170 | |
| 1254 | K | A | -1.7071 | |
| 1255 | T | A | -0.9268 | |
| 1256 | L | A | -0.3165 | |
| 1257 | G | A | -1.0391 | |
| 1258 | I | A | -1.5435 | |
| 1259 | E | A | -2.0670 | |
| 1260 | A | A | -1.0246 | |
| 1261 | A | A | 0.0000 | |
| 1262 | R | A | -1.4287 | |
| 1263 | T | A | -1.0007 | |
| 1264 | T | A | 0.0000 | |
| 1265 | I | A | 0.0000 | |
| 1266 | I | A | 0.0000 | |
| 1267 | N | A | -1.0055 | |
| 1268 | E | A | -0.3353 | |
| 1269 | I | A | 0.0000 | |
| 1270 | Q | A | -0.0345 | |
| 1271 | Y | A | 0.5028 | |
| 1272 | T | A | 0.0000 | |
| 1273 | M | A | 0.0000 | |
| 1274 | V | A | 1.5370 | |
| 1275 | N | A | 0.4920 | |
| 1276 | H | A | -0.0200 | |
| 1277 | G | A | -0.0310 | |
| 1278 | M | A | 0.2098 | |
| 1279 | S | A | 0.0144 | |
| 1280 | I | A | 0.0000 | |
| 1281 | D | A | 0.0000 | |
| 1282 | R | A | -1.3730 | |
| 1283 | R | A | 0.0000 | |
| 1284 | H | A | 0.0000 | |
| 1285 | V | A | 0.0000 | |
| 1286 | M | A | -0.3529 | |
| 1287 | L | A | 0.0000 | |
| 1288 | L | A | 0.0000 | |
| 1289 | S | A | 0.0000 | |
| 1290 | D | A | -0.4932 | |
| 1291 | L | A | 0.0000 | |
| 1292 | M | A | 0.0000 | |
| 1293 | T | A | 0.0000 | |
| 1294 | Y | A | -1.0477 | |
| 1295 | K | A | -1.7679 | |
| 1296 | G | A | -1.8786 | |
| 1297 | E | A | -2.3978 | |
| 1298 | V | A | -1.2861 | |
| 1299 | L | A | 0.0000 | |
| 1300 | G | A | 0.0000 | |
| 1301 | I | A | 0.0000 | |
| 1302 | T | A | -0.3752 | |
| 1303 | R | A | -0.5467 | |
| 1304 | F | A | 1.1429 | |
| 1305 | G | A | 0.0000 | |
| 1306 | L | A | 0.0000 | |
| 1307 | A | A | 0.0000 | |
| 1308 | K | A | -0.8277 | |
| 1309 | M | A | 0.0000 | |
| 1310 | K | A | -1.0772 | |
| 1311 | E | A | -1.5968 | |
| 1312 | S | A | 0.0000 | |
| 1313 | V | A | 0.0000 | |
| 1314 | L | A | 0.0000 | |
| 1315 | M | A | 0.0000 | |
| 1316 | L | A | 0.0000 | |
| 1317 | A | A | 0.0000 | |
| 1318 | S | A | -1.2778 | |
| 1319 | F | A | -0.8204 | |
| 1320 | E | A | -1.6271 | |
| 1321 | K | A | -2.3836 | |
| 1322 | T | A | -1.8242 | |
| 1323 | A | A | 0.0000 | |
| 1324 | D | A | -1.9728 | |
| 1325 | H | A | 0.0000 | |
| 1326 | L | A | 0.0000 | |
| 1327 | F | A | -0.6852 | |
| 1328 | D | A | -0.7832 | |
| 1329 | A | A | 0.0000 | |
| 1330 | A | A | 0.0000 | |
| 1331 | Y | A | 0.0000 | |
| 1332 | F | A | 0.0000 | |
| 1333 | G | A | -0.8518 | |
| 1334 | Q | A | -0.9260 | |
| 1335 | K | A | -1.4449 | |
| 1336 | D | A | 0.0000 | |
| 1337 | S | A | -0.6055 | |
| 1338 | V | A | 0.0000 | |
| 1339 | C | A | 0.3962 | |
| 1340 | G | A | 0.0908 | |
| 1341 | V | A | 0.0000 | |
| 1342 | S | A | 0.7181 | |
| 1343 | E | A | 0.0000 | |
| 1344 | C | A | 0.0000 | |
| 1345 | I | A | 2.1986 | |
| 1346 | I | A | 1.1849 | |
| 1347 | M | A | 0.9303 | |
| 1348 | G | A | 0.4434 | |
| 1349 | I | A | 0.2294 | |
| 1350 | P | A | 0.0084 | |
| 1351 | M | A | 0.1367 | |
| 1352 | N | A | -0.5986 | |
| 1353 | I | A | -0.1625 | |
| 1354 | G | A | -0.3286 | |
| 1355 | T | A | -0.2954 | |
| 1356 | G | A | -0.1588 | |
| 1357 | L | A | 0.4328 | |
| 1358 | F | A | 1.5940 | |
| 1359 | K | A | 0.2317 | |
| 1360 | L | A | 1.4913 | |
| 1361 | L | A | 1.1974 | |
| 1362 | H | A | -0.9335 | |
| 1363 | K | A | -2.3230 | |
| 1364 | A | A | -2.5714 | |
| 1365 | D | A | -3.6098 | |
| 1366 | R | A | -4.0726 | |
| 1367 | D | A | -3.5591 | |
| 1368 | P | A | -2.5031 | |
| 1369 | N | A | -2.4057 | |
| 1370 | P | A | -2.3531 | |
| 1371 | P | A | -2.1389 | |
| 1372 | K | A | -2.8478 | |
| 1373 | R | A | -2.3378 | |
| 1374 | P | A | -0.4665 | |
| 1375 | L | A | 1.5815 | |
| 1376 | I | A | 2.7482 | |
| 1377 | F | A | 2.2700 | |
| 1378 | D | A | -0.1943 | |
| 1379 | T | A | -0.1617 | |
| 1380 | N | A | -1.3120 | |
| 1381 | E | A | -0.9738 | |
| 1382 | F | A | 1.1428 | |
| 1383 | H | A | 0.0364 | |
| 1384 | I | A | 1.8027 | |
| 1385 | P | A | 1.8501 | |
| 1386 | L | A | 2.6515 | |
| 1387 | V | A | 2.6733 | |
| 1388 | T | A | 1.0780 |
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 | -0.7658 | 6.712 | View | CSV | PDB |
| 4.5 | -0.8315 | 6.5013 | View | CSV | PDB |
| 5.0 | -0.9115 | 6.2462 | View | CSV | PDB |
| 5.5 | -0.9886 | 5.9727 | View | CSV | PDB |
| 6.0 | -1.0438 | 5.7051 | View | CSV | PDB |
| 6.5 | -1.064 | 5.4598 | View | CSV | PDB |
| 7.0 | -1.0497 | 5.4159 | View | CSV | PDB |
| 7.5 | -1.0127 | 5.4184 | View | CSV | PDB |
| 8.0 | -0.9637 | 5.4193 | View | CSV | PDB |
| 8.5 | -0.9065 | 5.4196 | View | CSV | PDB |
| 9.0 | -0.8411 | 5.4197 | 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