| Chain sequence(s) |
A: APIPTVEEKWRLLPAFLKVKGLVKQHIDSFNYFINVEIKKIMKANEKVTSDADPMWYLKYLNIYVGLPDVEESFNVTRPVSPHECRLRDMTYSAPITVDIEYTRGSQRIIRNALPIGRMPIMLRSSNCVLTGKTPAEFAKLNECPLDPGGYFIVKGVEKVILIQEQLSKNRIIVEADRKGAVGASVTSSTHEKKSRTNMAVKQGRFYLRHNTLSEDIPIVIIFKAMGVESDQEIVQMIGTEEHVMAAFGPSLEECQKAQIFTQMQALKYIGNKVRRQRMWGGGPKKTKIEEARELLASTILTHVPVKEFNFRAKCIYTAVMVRRVILAQGDNKVDDRDYYGNKRLELAGQLLSLLFEDLFKKFNSEMKKIADQVIPKQRAAQFDVVKHMRQDQITNGMVNAISTGNWSLKRFKMDRQGVTQVLSRLSYISALGMMTRISSQFEKTRKVSGPRSLQPSQWGMLCPSDTPEGEACGLVKNLALMTHITTDMEDGPIVKLASNLGVEDENLLCGEELSYPNVFLVFLNGNILGVIRDHKKLVNTFRLMRRAGYINEFVSISTNLTDRCVYISSDGGRLCRPYIIVKKQKPAVTNKHMEELAQGYRNFEDFLHESLVEYLDVNEENDCNIALYEHTINKDTTHLEIEPFTLLGVCAGLIPYPHHNQSPRNTYQCAMGKQAMGTIGYNQRNRIDTLMYLLAYPQKPMVKTKTIELIEFEKLPAGQNATVAVMSYSGYDIEDALVLNKASLDRGFGRCLVYKNAKCTLKRYTNQTFDKVMGPMLDAATRKPIWRHEILDADGICSPGEKVENKQVLVNKSMPTVTQIPLEGSNVPQQPQYKDVPITYKGATDSYIEKVMISSNAEDAFLIKMLLRQTRRPEIGDKFSSRHGQKGVCGLIVPQEDMPFCDSGICPDIIMNPHGFPSRMTVGKLIELLAGKAGVLDGRFHYGTAFGGSKVKDVCEDLVRHGYNYLGKDYVTSGITGEPLEAYIYFGPVYYQKLKHMVLDKMHARARGPRAVLTRQPTEGRSRDGGLRLGEMERDCLIGYGASMLLLERLMISSDAFEVDVCGQCGLLGYSGWCHYCKSSCHVSSLRIPYACKLLFQELQSMNIIPRLKLSKYN
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. (00:00:10)
[INFO] FoldX: Starting FoldX energy minimization (00:00:10)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:31:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/93d2fabf11c4d3/tmp/folded.pdb (00:31:12)
[INFO] Main: Simulation completed successfully. (00:50:28)
|
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 | A | A | -0.0215 | |
| 2 | P | A | -0.3678 | |
| 3 | I | A | -0.7503 | |
| 4 | P | A | -0.8573 | |
| 5 | T | A | -0.9117 | |
| 6 | V | A | 0.0000 | |
| 7 | E | A | -2.1229 | |
| 8 | E | A | -1.9406 | |
| 9 | K | A | 0.0000 | |
| 10 | W | A | -0.3270 | |
| 11 | R | A | -0.9167 | |
| 12 | L | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | P | A | -0.4956 | |
| 15 | A | A | 0.0000 | |
| 16 | F | A | 0.0000 | |
| 17 | L | A | 0.0000 | |
| 18 | K | A | -1.2789 | |
| 19 | V | A | -0.0695 | |
| 20 | K | A | -0.4205 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | -0.0271 | |
| 23 | V | A | 0.0000 | |
| 24 | K | A | -0.9436 | |
| 25 | Q | A | 0.0000 | |
| 26 | H | A | 0.0000 | |
| 27 | I | A | -0.8802 | |
| 28 | D | A | -1.6627 | |
| 29 | S | A | 0.0000 | |
| 30 | F | A | 0.0000 | |
| 31 | N | A | -0.7934 | |
| 32 | Y | A | -0.4470 | |
| 33 | F | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | N | A | -0.7004 | |
| 36 | V | A | -0.2554 | |
| 37 | E | A | -0.9747 | |
| 38 | I | A | 0.0000 | |
| 39 | K | A | -1.8864 | |
| 40 | K | A | -2.6417 | |
| 41 | I | A | 0.0000 | |
| 42 | M | A | 0.0000 | |
| 43 | K | A | -2.9522 | |
| 44 | A | A | -1.8756 | |
| 45 | N | A | -1.9855 | |
| 46 | E | A | -2.8513 | |
| 47 | K | A | -2.3740 | |
| 48 | V | A | -1.3365 | |
| 49 | T | A | -1.0395 | |
| 50 | S | A | 0.0000 | |
| 51 | D | A | -2.7178 | |
| 52 | A | A | -2.5527 | |
| 53 | D | A | -2.2915 | |
| 54 | P | A | -1.3337 | |
| 55 | M | A | 0.0757 | |
| 56 | W | A | 0.0000 | |
| 57 | Y | A | -1.0678 | |
| 58 | L | A | 0.0000 | |
| 59 | K | A | -1.4074 | |
| 60 | Y | A | 0.0000 | |
| 61 | L | A | -0.6557 | |
| 62 | N | A | -1.0378 | |
| 63 | I | A | 0.0000 | |
| 64 | Y | A | 0.6273 | |
| 65 | V | A | 0.5315 | |
| 66 | G | A | 0.4476 | |
| 67 | L | A | 0.9037 | |
| 68 | P | A | 0.0000 | |
| 69 | D | A | -0.8195 | |
| 70 | V | A | 0.0000 | |
| 71 | E | A | -1.9398 | |
| 72 | E | A | -1.3448 | |
| 73 | S | A | -0.6423 | |
| 74 | F | A | 1.2883 | |
| 75 | N | A | -0.2263 | |
| 76 | V | A | 0.4205 | |
| 77 | T | A | -0.9382 | |
| 78 | R | A | -1.4574 | |
| 79 | P | A | -0.8908 | |
| 80 | V | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | P | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | E | A | -0.7002 | |
| 85 | C | A | 0.0000 | |
| 86 | R | A | 0.0000 | |
| 87 | L | A | -0.3390 | |
| 88 | R | A | -0.6024 | |
| 89 | D | A | -1.2183 | |
| 90 | M | A | -1.1273 | |
| 91 | T | A | -0.7487 | |
| 92 | Y | A | 0.0000 | |
| 93 | S | A | 0.0000 | |
| 94 | A | A | 0.0000 | |
| 95 | P | A | 0.0099 | |
| 96 | I | A | 0.0000 | |
| 97 | T | A | -0.0636 | |
| 98 | V | A | 0.0000 | |
| 99 | D | A | -0.6029 | |
| 100 | I | A | 0.0000 | |
| 101 | E | A | 0.0000 | |
| 102 | Y | A | 0.0000 | |
| 103 | T | A | 0.0000 | |
| 104 | R | A | -2.0560 | |
| 105 | G | A | -1.8764 | |
| 106 | S | A | -1.9605 | |
| 107 | Q | A | -2.3614 | |
| 108 | R | A | -2.1620 | |
| 109 | I | A | -0.4448 | |
| 110 | I | A | 0.7516 | |
| 111 | R | A | -0.6236 | |
| 112 | N | A | -1.4241 | |
| 113 | A | A | -0.7372 | |
| 114 | L | A | 0.0000 | |
| 115 | P | A | -0.4493 | |
| 116 | I | A | 0.0000 | |
| 117 | G | A | 0.0000 | |
| 118 | R | A | -0.9150 | |
| 119 | M | A | 0.0000 | |
| 120 | P | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | M | A | 0.0000 | |
| 123 | L | A | 0.0000 | |
| 124 | R | A | -0.6781 | |
| 125 | S | A | 0.0000 | |
| 126 | S | A | -0.4625 | |
| 127 | N | A | 0.0000 | |
| 128 | C | A | 0.0000 | |
| 129 | V | A | 0.1552 | |
| 130 | L | A | 0.0000 | |
| 131 | T | A | -0.5203 | |
| 132 | G | A | -0.8589 | |
| 133 | K | A | -1.0066 | |
| 134 | T | A | -0.7448 | |
| 135 | P | A | -0.7755 | |
| 136 | A | A | -0.8557 | |
| 137 | E | A | -1.5688 | |
| 138 | F | A | 0.0000 | |
| 139 | A | A | -1.0917 | |
| 140 | K | A | -1.9335 | |
| 141 | L | A | -1.0289 | |
| 142 | N | A | -1.3286 | |
| 143 | E | A | 0.0000 | |
| 144 | C | A | 0.0000 | |
| 145 | P | A | -0.1541 | |
| 146 | L | A | -0.0813 | |
| 147 | D | A | 0.0000 | |
| 148 | P | A | -0.0658 | |
| 149 | G | A | 0.0000 | |
| 150 | G | A | 0.0000 | |
| 151 | Y | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | K | A | -1.6653 | |
| 156 | G | A | -0.8501 | |
| 157 | V | A | 0.3938 | |
| 158 | E | A | 0.0000 | |
| 159 | K | A | 0.4068 | |
| 160 | V | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | I | A | 0.0000 | |
| 164 | Q | A | 0.0000 | |
| 165 | E | A | 0.0000 | |
| 166 | Q | A | -0.5270 | |
| 167 | L | A | -0.6102 | |
| 168 | S | A | 0.0000 | |
| 169 | K | A | -1.1690 | |
| 170 | N | A | -1.1399 | |
| 171 | R | A | -0.7805 | |
| 172 | I | A | 0.0000 | |
| 173 | I | A | -0.6502 | |
| 174 | V | A | 0.0000 | |
| 175 | E | A | -1.5706 | |
| 176 | A | A | -1.8551 | |
| 177 | D | A | -2.2213 | |
| 178 | R | A | -3.0420 | |
| 179 | K | A | -3.0247 | |
| 180 | G | A | -2.3814 | |
| 181 | A | A | -2.0027 | |
| 182 | V | A | 0.0000 | |
| 183 | G | A | -0.5546 | |
| 184 | A | A | 0.0000 | |
| 185 | S | A | -0.8110 | |
| 186 | V | A | 0.0000 | |
| 187 | T | A | -1.4523 | |
| 188 | S | A | 0.0000 | |
| 189 | S | A | -1.9328 | |
| 190 | T | A | -1.8259 | |
| 191 | H | A | -2.3389 | |
| 192 | E | A | -3.2327 | |
| 193 | K | A | -3.0525 | |
| 194 | K | A | -3.2469 | |
| 195 | S | A | -2.1533 | |
| 196 | R | A | -2.7398 | |
| 197 | T | A | 0.0000 | |
| 198 | N | A | -1.3090 | |
| 199 | M | A | 0.0000 | |
| 200 | A | A | -0.9585 | |
| 201 | V | A | 0.0000 | |
| 202 | K | A | -1.8227 | |
| 203 | Q | A | -1.8814 | |
| 204 | G | A | -1.4667 | |
| 205 | R | A | -1.4195 | |
| 206 | F | A | 0.0000 | |
| 207 | Y | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | R | A | -2.2207 | |
| 210 | H | A | 0.0000 | |
| 211 | N | A | -2.4106 | |
| 212 | T | A | -2.0965 | |
| 213 | L | A | 0.0000 | |
| 214 | S | A | -2.5329 | |
| 215 | E | A | -2.8591 | |
| 216 | D | A | -1.8272 | |
| 217 | I | A | 0.0000 | |
| 218 | P | A | 0.0000 | |
| 219 | I | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | K | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | G | A | -0.9361 | |
| 228 | V | A | 0.0000 | |
| 229 | E | A | -1.4451 | |
| 230 | S | A | -1.3782 | |
| 231 | D | A | -1.6338 | |
| 232 | Q | A | -1.8824 | |
| 233 | E | A | -1.6888 | |
| 234 | I | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | Q | A | -1.1492 | |
| 237 | M | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | T | A | -1.1415 | |
| 241 | E | A | -1.4928 | |
| 242 | E | A | -2.3287 | |
| 243 | H | A | -2.0043 | |
| 244 | V | A | 0.0000 | |
| 245 | M | A | -0.8548 | |
| 246 | A | A | -0.7385 | |
| 247 | A | A | -0.8098 | |
| 248 | F | A | 0.0000 | |
| 249 | G | A | -0.6056 | |
| 250 | P | A | -0.9802 | |
| 251 | S | A | 0.0000 | |
| 252 | L | A | -1.5001 | |
| 253 | E | A | -2.4071 | |
| 254 | E | A | -2.0985 | |
| 255 | C | A | 0.0000 | |
| 256 | Q | A | -2.3585 | |
| 257 | K | A | -2.7717 | |
| 258 | A | A | -1.7908 | |
| 259 | Q | A | -1.6079 | |
| 260 | I | A | 0.0000 | |
| 261 | F | A | 0.3547 | |
| 262 | T | A | -0.1117 | |
| 263 | Q | A | -0.4543 | |
| 264 | M | A | -0.2790 | |
| 265 | Q | A | -0.6875 | |
| 266 | A | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | K | A | -1.9299 | |
| 269 | Y | A | -1.2024 | |
| 270 | I | A | 0.0000 | |
| 271 | G | A | -2.3072 | |
| 272 | N | A | -2.5465 | |
| 273 | K | A | -2.4043 | |
| 274 | V | A | -2.6381 | |
| 275 | R | A | -3.9604 | |
| 276 | R | A | -3.8524 | |
| 277 | Q | A | -3.1663 | |
| 278 | R | A | -2.7362 | |
| 279 | M | A | -0.5882 | |
| 280 | W | A | -1.0844 | |
| 281 | G | A | -2.1010 | |
| 282 | G | A | -1.2548 | |
| 283 | G | A | -0.9868 | |
| 284 | P | A | -1.2009 | |
| 285 | K | A | -2.1431 | |
| 286 | K | A | -2.6262 | |
| 287 | T | A | -2.2981 | |
| 288 | K | A | -2.4654 | |
| 289 | I | A | -1.7420 | |
| 290 | E | A | -1.8893 | |
| 291 | E | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | R | A | -1.0921 | |
| 294 | E | A | -0.8253 | |
| 295 | L | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | A | A | -0.8410 | |
| 298 | S | A | -0.3667 | |
| 299 | T | A | -0.9909 | |
| 300 | I | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | T | A | -0.8060 | |
| 303 | H | A | -0.8388 | |
| 304 | V | A | 0.0000 | |
| 305 | P | A | -0.9140 | |
| 306 | V | A | -1.3550 | |
| 307 | K | A | -2.6255 | |
| 308 | E | A | -2.6544 | |
| 309 | F | A | -1.4983 | |
| 310 | N | A | -2.0955 | |
| 311 | F | A | 0.0000 | |
| 312 | R | A | -0.9296 | |
| 313 | A | A | 0.0000 | |
| 314 | K | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | Y | A | 0.0000 | |
| 318 | T | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | V | A | 0.0000 | |
| 321 | M | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | R | A | 0.0000 | |
| 324 | R | A | -0.5477 | |
| 325 | V | A | 0.0000 | |
| 326 | I | A | 0.0000 | |
| 327 | L | A | -1.2479 | |
| 328 | A | A | 0.0000 | |
| 329 | Q | A | -2.4729 | |
| 330 | G | A | -2.4266 | |
| 331 | D | A | -3.2635 | |
| 332 | N | A | -3.2861 | |
| 333 | K | A | -3.0115 | |
| 334 | V | A | -1.5812 | |
| 335 | D | A | -1.8160 | |
| 336 | D | A | -2.6218 | |
| 337 | R | A | -2.5057 | |
| 338 | D | A | -1.4673 | |
| 339 | Y | A | -0.7550 | |
| 340 | Y | A | 0.0000 | |
| 341 | G | A | 0.0000 | |
| 342 | N | A | -0.9999 | |
| 343 | K | A | 0.0000 | |
| 344 | R | A | -0.4708 | |
| 345 | L | A | 0.0000 | |
| 346 | E | A | -0.3920 | |
| 347 | L | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | G | A | 0.0000 | |
| 350 | Q | A | -0.2517 | |
| 351 | L | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | S | A | -0.1692 | |
| 354 | L | A | -0.3198 | |
| 355 | L | A | 0.0000 | |
| 356 | F | A | 0.0000 | |
| 357 | E | A | 0.0000 | |
| 358 | D | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | F | A | 0.0000 | |
| 361 | K | A | -1.1914 | |
| 362 | K | A | -1.5490 | |
| 363 | F | A | 0.0000 | |
| 364 | N | A | 0.0000 | |
| 365 | S | A | -1.3678 | |
| 366 | E | A | -1.8560 | |
| 367 | M | A | 0.0000 | |
| 368 | K | A | -2.5267 | |
| 369 | K | A | -2.8336 | |
| 370 | I | A | -1.5705 | |
| 371 | A | A | 0.0000 | |
| 372 | D | A | -2.8129 | |
| 373 | Q | A | -2.6400 | |
| 374 | V | A | -2.1116 | |
| 375 | I | A | 0.0000 | |
| 376 | P | A | -2.6793 | |
| 377 | K | A | -3.2159 | |
| 378 | Q | A | -3.0872 | |
| 379 | R | A | -2.8986 | |
| 380 | A | A | -1.6322 | |
| 381 | A | A | -1.0453 | |
| 382 | Q | A | -1.1805 | |
| 383 | F | A | -0.9531 | |
| 384 | D | A | -0.8887 | |
| 385 | V | A | 0.0000 | |
| 386 | V | A | -0.9475 | |
| 387 | K | A | -2.0046 | |
| 388 | H | A | -1.6676 | |
| 389 | M | A | 0.0000 | |
| 390 | R | A | -2.9867 | |
| 391 | Q | A | -2.6614 | |
| 392 | D | A | -3.2083 | |
| 393 | Q | A | -2.4763 | |
| 394 | I | A | 0.0000 | |
| 395 | T | A | -1.9505 | |
| 396 | N | A | -2.2494 | |
| 397 | G | A | -1.3077 | |
| 398 | M | A | 0.0000 | |
| 399 | V | A | -0.9664 | |
| 400 | N | A | -1.3371 | |
| 401 | A | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | S | A | -0.4030 | |
| 404 | T | A | -0.7193 | |
| 405 | G | A | 0.0000 | |
| 406 | N | A | -1.6595 | |
| 407 | W | A | 0.0000 | |
| 408 | S | A | -2.1812 | |
| 409 | L | A | 0.0000 | |
| 410 | K | A | -3.5098 | |
| 411 | R | A | -3.6016 | |
| 412 | F | A | 0.0000 | |
| 413 | K | A | -3.6033 | |
| 414 | M | A | -2.5983 | |
| 415 | D | A | -3.1036 | |
| 416 | R | A | -2.5188 | |
| 417 | Q | A | -2.4762 | |
| 418 | G | A | -1.7412 | |
| 419 | V | A | 0.0000 | |
| 420 | T | A | 0.0000 | |
| 421 | Q | A | 0.3397 | |
| 422 | V | A | 1.6272 | |
| 423 | L | A | 0.0000 | |
| 424 | S | A | 0.2068 | |
| 425 | R | A | 0.1378 | |
| 426 | L | A | -0.0271 | |
| 427 | S | A | 0.0000 | |
| 428 | Y | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | S | A | 0.0000 | |
| 431 | A | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | M | A | 0.0000 | |
| 435 | M | A | 0.0000 | |
| 436 | T | A | 0.0000 | |
| 437 | R | A | -0.3382 | |
| 438 | I | A | 0.0000 | |
| 439 | S | A | -0.7426 | |
| 440 | S | A | 0.0000 | |
| 441 | Q | A | -1.0112 | |
| 442 | F | A | -1.6681 | |
| 443 | E | A | -3.1214 | |
| 444 | K | A | -3.2899 | |
| 445 | T | A | -2.5453 | |
| 446 | R | A | -3.4073 | |
| 447 | K | A | -2.9934 | |
| 448 | V | A | -1.3284 | |
| 449 | S | A | -0.9952 | |
| 450 | G | A | -0.7946 | |
| 451 | P | A | 0.0000 | |
| 452 | R | A | -0.6376 | |
| 453 | S | A | 0.1889 | |
| 454 | L | A | 1.0627 | |
| 455 | Q | A | 0.2159 | |
| 456 | P | A | -0.0826 | |
| 457 | S | A | -0.1911 | |
| 458 | Q | A | 0.0000 | |
| 459 | W | A | 0.3785 | |
| 460 | G | A | 0.0000 | |
| 461 | M | A | 0.0000 | |
| 462 | L | A | 0.0000 | |
| 463 | C | A | 0.0000 | |
| 464 | P | A | 0.1781 | |
| 465 | S | A | 0.0524 | |
| 466 | D | A | 0.0000 | |
| 467 | T | A | -0.4413 | |
| 468 | P | A | -1.2028 | |
| 469 | E | A | -2.3394 | |
| 470 | G | A | -2.1978 | |
| 471 | E | A | -3.3843 | |
| 472 | A | A | -2.0254 | |
| 473 | C | A | -1.5093 | |
| 474 | G | A | 0.0000 | |
| 475 | L | A | 0.0000 | |
| 476 | V | A | 0.0000 | |
| 477 | K | A | 0.0000 | |
| 478 | N | A | 0.0000 | |
| 479 | L | A | 0.0000 | |
| 480 | A | A | 0.0000 | |
| 481 | L | A | 0.0000 | |
| 482 | M | A | 0.0000 | |
| 483 | T | A | 0.0000 | |
| 484 | H | A | 0.0000 | |
| 485 | I | A | 0.0000 | |
| 486 | T | A | 0.0000 | |
| 487 | T | A | -1.0173 | |
| 488 | D | A | -1.7141 | |
| 489 | M | A | -1.6892 | |
| 490 | E | A | -2.3738 | |
| 491 | D | A | -1.6364 | |
| 492 | G | A | -1.0032 | |
| 493 | P | A | -0.8811 | |
| 494 | I | A | 0.0000 | |
| 495 | V | A | -0.2919 | |
| 496 | K | A | -1.7466 | |
| 497 | L | A | 0.0000 | |
| 498 | A | A | 0.0000 | |
| 499 | S | A | -1.7571 | |
| 500 | N | A | -1.9345 | |
| 501 | L | A | -1.6795 | |
| 502 | G | A | -2.1916 | |
| 503 | V | A | 0.0000 | |
| 504 | E | A | -2.6215 | |
| 505 | D | A | -1.8957 | |
| 506 | E | A | 0.0000 | |
| 507 | N | A | -1.0882 | |
| 508 | L | A | 0.3414 | |
| 509 | L | A | 0.0614 | |
| 510 | C | A | 0.1535 | |
| 511 | G | A | 0.0000 | |
| 512 | E | A | -1.1699 | |
| 513 | E | A | -0.5656 | |
| 514 | L | A | 0.0000 | |
| 515 | S | A | 0.0000 | |
| 516 | Y | A | -0.7952 | |
| 517 | P | A | -1.0379 | |
| 518 | N | A | -2.2953 | |
| 519 | V | A | 0.0000 | |
| 520 | F | A | 0.0000 | |
| 521 | L | A | 0.0000 | |
| 522 | V | A | 0.0000 | |
| 523 | F | A | 0.0000 | |
| 524 | L | A | 0.0000 | |
| 525 | N | A | -0.6849 | |
| 526 | G | A | 0.0000 | |
| 527 | N | A | -0.4617 | |
| 528 | I | A | 0.0000 | |
| 529 | L | A | -0.3482 | |
| 530 | G | A | 0.0000 | |
| 531 | V | A | 0.0000 | |
| 532 | I | A | 0.0000 | |
| 533 | R | A | -3.8425 | |
| 534 | D | A | -4.0246 | |
| 535 | H | A | 0.0000 | |
| 536 | K | A | -3.7184 | |
| 537 | K | A | -3.6296 | |
| 538 | L | A | 0.0000 | |
| 539 | V | A | 0.0000 | |
| 540 | N | A | -2.0580 | |
| 541 | T | A | -1.0600 | |
| 542 | F | A | 0.0000 | |
| 543 | R | A | -0.4070 | |
| 544 | L | A | 0.5112 | |
| 545 | M | A | 0.3946 | |
| 546 | R | A | 0.0000 | |
| 547 | R | A | -0.6716 | |
| 548 | A | A | -0.3997 | |
| 549 | G | A | -0.5869 | |
| 550 | Y | A | 0.5112 | |
| 551 | I | A | 0.0000 | |
| 552 | N | A | -1.0528 | |
| 553 | E | A | -0.8234 | |
| 554 | F | A | -0.3911 | |
| 555 | V | A | 0.0000 | |
| 556 | S | A | 0.0000 | |
| 557 | I | A | 0.0000 | |
| 558 | S | A | -0.8648 | |
| 559 | T | A | -0.5598 | |
| 560 | N | A | -0.1155 | |
| 561 | L | A | 1.0266 | |
| 562 | T | A | 0.1036 | |
| 563 | D | A | -0.1998 | |
| 564 | R | A | -0.3318 | |
| 565 | C | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | Y | A | -0.0184 | |
| 568 | I | A | 0.0000 | |
| 569 | S | A | -0.3424 | |
| 570 | S | A | 0.0000 | |
| 571 | D | A | -1.1603 | |
| 572 | G | A | 0.0000 | |
| 573 | G | A | 0.0000 | |
| 574 | R | A | 0.0000 | |
| 575 | L | A | 0.0000 | |
| 576 | C | A | 0.0000 | |
| 577 | R | A | 0.0000 | |
| 578 | P | A | 0.0000 | |
| 579 | Y | A | 0.0000 | |
| 580 | I | A | 0.0000 | |
| 581 | I | A | -0.3580 | |
| 582 | V | A | 0.0000 | |
| 583 | K | A | -3.2404 | |
| 584 | K | A | -3.8289 | |
| 585 | Q | A | -3.8491 | |
| 586 | K | A | -3.0424 | |
| 587 | P | A | 0.0000 | |
| 588 | A | A | 0.0000 | |
| 589 | V | A | 0.0000 | |
| 590 | T | A | -1.5811 | |
| 591 | N | A | -2.3096 | |
| 592 | K | A | -2.5696 | |
| 593 | H | A | -1.8446 | |
| 594 | M | A | 0.0000 | |
| 595 | E | A | -2.5938 | |
| 596 | E | A | -1.7198 | |
| 597 | L | A | -1.5120 | |
| 598 | A | A | -1.5063 | |
| 599 | Q | A | -1.5890 | |
| 600 | G | A | -0.9177 | |
| 601 | Y | A | 0.0516 | |
| 602 | R | A | -1.1417 | |
| 603 | N | A | -1.9864 | |
| 604 | F | A | 0.0000 | |
| 605 | E | A | -2.5714 | |
| 606 | D | A | -2.4876 | |
| 607 | F | A | 0.0000 | |
| 608 | L | A | 0.0000 | |
| 609 | H | A | -2.5786 | |
| 610 | E | A | -2.4971 | |
| 611 | S | A | -1.1820 | |
| 612 | L | A | 0.0000 | |
| 613 | V | A | 0.0000 | |
| 614 | E | A | 0.0000 | |
| 615 | Y | A | 0.0000 | |
| 616 | L | A | 0.0000 | |
| 617 | D | A | 0.0000 | |
| 618 | V | A | 0.0000 | |
| 619 | N | A | -1.0730 | |
| 620 | E | A | 0.0000 | |
| 621 | E | A | -1.3635 | |
| 622 | N | A | -2.2028 | |
| 623 | D | A | -2.2493 | |
| 624 | C | A | -1.4607 | |
| 625 | N | A | -1.6103 | |
| 626 | I | A | -0.2236 | |
| 627 | A | A | 0.0000 | |
| 628 | L | A | 0.6838 | |
| 629 | Y | A | 0.8833 | |
| 630 | E | A | 0.0000 | |
| 631 | H | A | -1.0387 | |
| 632 | T | A | -0.3999 | |
| 633 | I | A | 0.0000 | |
| 634 | N | A | -3.3382 | |
| 635 | K | A | -3.9132 | |
| 636 | D | A | -3.1831 | |
| 637 | T | A | -2.5019 | |
| 638 | T | A | -1.7142 | |
| 639 | H | A | 0.0000 | |
| 640 | L | A | 0.0000 | |
| 641 | E | A | 0.0000 | |
| 642 | I | A | 0.0000 | |
| 643 | E | A | 0.0620 | |
| 644 | P | A | 0.2786 | |
| 645 | F | A | 0.0000 | |
| 646 | T | A | 0.0000 | |
| 647 | L | A | 0.0000 | |
| 648 | L | A | 0.0000 | |
| 649 | G | A | 0.0000 | |
| 650 | V | A | 0.0000 | |
| 651 | C | A | 0.0000 | |
| 652 | A | A | 0.0000 | |
| 653 | G | A | 0.0000 | |
| 654 | L | A | -0.0467 | |
| 655 | I | A | 0.0000 | |
| 656 | P | A | 0.0000 | |
| 657 | Y | A | 0.0000 | |
| 658 | P | A | 0.0000 | |
| 659 | H | A | -0.5780 | |
| 660 | H | A | -0.4380 | |
| 661 | N | A | 0.0000 | |
| 662 | Q | A | -1.1928 | |
| 663 | S | A | -0.8894 | |
| 664 | P | A | -0.7800 | |
| 665 | R | A | -0.6574 | |
| 666 | N | A | 0.0000 | |
| 667 | T | A | -0.4322 | |
| 668 | Y | A | -0.2417 | |
| 669 | Q | A | 0.0000 | |
| 670 | C | A | 0.0000 | |
| 671 | A | A | -0.5576 | |
| 672 | M | A | 0.0000 | |
| 673 | G | A | -0.2167 | |
| 674 | K | A | -0.5472 | |
| 675 | Q | A | -0.7255 | |
| 676 | A | A | 0.0000 | |
| 677 | M | A | 0.0000 | |
| 678 | G | A | 0.0000 | |
| 679 | T | A | 0.0071 | |
| 680 | I | A | 0.0000 | |
| 681 | G | A | 0.0000 | |
| 682 | Y | A | -0.1777 | |
| 683 | N | A | 0.0000 | |
| 684 | Q | A | -1.3208 | |
| 685 | R | A | -2.3177 | |
| 686 | N | A | -1.9947 | |
| 687 | R | A | 0.0000 | |
| 688 | I | A | -0.4979 | |
| 689 | D | A | -0.2434 | |
| 690 | T | A | -0.1421 | |
| 691 | L | A | 0.5030 | |
| 692 | M | A | 0.0000 | |
| 693 | Y | A | 0.0000 | |
| 694 | L | A | 0.0000 | |
| 695 | L | A | 0.0000 | |
| 696 | A | A | 0.2940 | |
| 697 | Y | A | 0.5880 | |
| 698 | P | A | -0.3665 | |
| 699 | Q | A | -1.2816 | |
| 700 | K | A | -1.7307 | |
| 701 | P | A | 0.0000 | |
| 702 | M | A | 0.1913 | |
| 703 | V | A | 0.0000 | |
| 704 | K | A | -0.2923 | |
| 705 | T | A | 0.0000 | |
| 706 | K | A | -0.8565 | |
| 707 | T | A | 0.0000 | |
| 708 | I | A | 0.0000 | |
| 709 | E | A | -1.1942 | |
| 710 | L | A | -0.6583 | |
| 711 | I | A | 0.0000 | |
| 712 | E | A | -1.5791 | |
| 713 | F | A | 0.0000 | |
| 714 | E | A | -2.0440 | |
| 715 | K | A | -1.8569 | |
| 716 | L | A | 0.0000 | |
| 717 | P | A | 0.0000 | |
| 718 | A | A | 0.0000 | |
| 719 | G | A | 0.0000 | |
| 720 | Q | A | 0.0000 | |
| 721 | N | A | -0.6117 | |
| 722 | A | A | 0.0000 | |
| 723 | T | A | -0.0091 | |
| 724 | V | A | 0.0000 | |
| 725 | A | A | 0.0000 | |
| 726 | V | A | 0.0000 | |
| 727 | M | A | 0.0000 | |
| 728 | S | A | 0.0078 | |
| 729 | Y | A | 0.0000 | |
| 730 | S | A | 0.1971 | |
| 731 | G | A | 0.1635 | |
| 732 | Y | A | 0.7739 | |
| 733 | D | A | 0.0000 | |
| 734 | I | A | 0.6902 | |
| 735 | E | A | -1.5163 | |
| 736 | D | A | -1.8297 | |
| 737 | A | A | -0.4698 | |
| 738 | L | A | 0.0000 | |
| 739 | V | A | 0.0000 | |
| 740 | L | A | 0.0000 | |
| 741 | N | A | 0.0000 | |
| 742 | K | A | -1.6945 | |
| 743 | A | A | -1.5457 | |
| 744 | S | A | -1.3343 | |
| 745 | L | A | 0.0000 | |
| 746 | D | A | -2.1282 | |
| 747 | R | A | -2.4679 | |
| 748 | G | A | 0.0000 | |
| 749 | F | A | -0.7912 | |
| 750 | G | A | 0.0000 | |
| 751 | R | A | -0.9167 | |
| 752 | C | A | 0.0000 | |
| 753 | L | A | 0.0057 | |
| 754 | V | A | 0.0000 | |
| 755 | Y | A | -0.3343 | |
| 756 | K | A | -0.8115 | |
| 757 | N | A | -0.6833 | |
| 758 | A | A | 0.0000 | |
| 759 | K | A | -0.9218 | |
| 760 | C | A | 0.0000 | |
| 761 | T | A | -0.0572 | |
| 762 | L | A | -0.3615 | |
| 763 | K | A | -1.8859 | |
| 764 | R | A | -2.4955 | |
| 765 | Y | A | -1.1592 | |
| 766 | T | A | -1.0057 | |
| 767 | N | A | -1.6681 | |
| 768 | Q | A | -1.7304 | |
| 769 | T | A | 0.0000 | |
| 770 | F | A | 0.3738 | |
| 771 | D | A | 0.0000 | |
| 772 | K | A | -0.4177 | |
| 773 | V | A | -0.3601 | |
| 774 | M | A | -0.5521 | |
| 775 | G | A | -0.8455 | |
| 776 | P | A | -0.5224 | |
| 777 | M | A | 0.4580 | |
| 778 | L | A | 0.1496 | |
| 779 | D | A | -0.9863 | |
| 780 | A | A | -0.9333 | |
| 781 | A | A | -0.8501 | |
| 782 | T | A | -1.5375 | |
| 783 | R | A | -2.4857 | |
| 784 | K | A | -2.3632 | |
| 785 | P | A | -0.8710 | |
| 786 | I | A | 0.2547 | |
| 787 | W | A | -0.0291 | |
| 788 | R | A | -1.0822 | |
| 789 | H | A | 0.0000 | |
| 790 | E | A | -2.1509 | |
| 791 | I | A | 0.0000 | |
| 792 | L | A | -1.7587 | |
| 793 | D | A | -2.6008 | |
| 794 | A | A | -1.6158 | |
| 795 | D | A | -2.3270 | |
| 796 | G | A | 0.0000 | |
| 797 | I | A | 0.0000 | |
| 798 | C | A | 0.0000 | |
| 799 | S | A | -1.5698 | |
| 800 | P | A | -1.2809 | |
| 801 | G | A | -1.3160 | |
| 802 | E | A | -1.9640 | |
| 803 | K | A | -2.4220 | |
| 804 | V | A | 0.0000 | |
| 805 | E | A | -3.3499 | |
| 806 | N | A | -2.9318 | |
| 807 | K | A | -2.4554 | |
| 808 | Q | A | 0.0000 | |
| 809 | V | A | 0.0000 | |
| 810 | L | A | 0.0000 | |
| 811 | V | A | 0.0000 | |
| 812 | N | A | 0.0000 | |
| 813 | K | A | -0.5560 | |
| 814 | S | A | 0.0000 | |
| 815 | M | A | -0.4011 | |
| 816 | P | A | -0.5539 | |
| 817 | T | A | -0.5687 | |
| 818 | V | A | -0.5338 | |
| 819 | T | A | -0.4965 | |
| 820 | Q | A | -0.9500 | |
| 821 | I | A | -0.7072 | |
| 822 | P | A | -0.5292 | |
| 823 | L | A | -0.0771 | |
| 824 | E | A | -1.7794 | |
| 825 | G | A | -1.1378 | |
| 826 | S | A | -0.9007 | |
| 827 | N | A | -0.9945 | |
| 828 | V | A | 0.1972 | |
| 829 | P | A | -0.4327 | |
| 830 | Q | A | -1.4986 | |
| 831 | Q | A | -1.7191 | |
| 832 | P | A | -0.9090 | |
| 833 | Q | A | -0.9842 | |
| 834 | Y | A | -0.8219 | |
| 835 | K | A | -2.1648 | |
| 836 | D | A | -2.2184 | |
| 837 | V | A | -0.7635 | |
| 838 | P | A | -0.4021 | |
| 839 | I | A | -0.2344 | |
| 840 | T | A | -1.0859 | |
| 841 | Y | A | 0.0000 | |
| 842 | K | A | -2.8021 | |
| 843 | G | A | -2.0041 | |
| 844 | A | A | -1.1320 | |
| 845 | T | A | -1.4849 | |
| 846 | D | A | -2.7656 | |
| 847 | S | A | 0.0000 | |
| 848 | Y | A | -1.2904 | |
| 849 | I | A | 0.0000 | |
| 850 | E | A | -1.4365 | |
| 851 | K | A | -1.0753 | |
| 852 | V | A | 0.0970 | |
| 853 | M | A | 0.7536 | |
| 854 | I | A | 1.5973 | |
| 855 | S | A | 0.6548 | |
| 856 | S | A | -0.4588 | |
| 857 | N | A | -1.6231 | |
| 858 | A | A | -1.6124 | |
| 859 | E | A | -2.9999 | |
| 860 | D | A | -2.4855 | |
| 861 | A | A | 0.0000 | |
| 862 | F | A | -0.0292 | |
| 863 | L | A | 0.0000 | |
| 864 | I | A | 0.0000 | |
| 865 | K | A | 0.0000 | |
| 866 | M | A | 0.0000 | |
| 867 | L | A | 0.0000 | |
| 868 | L | A | 0.0000 | |
| 869 | R | A | -1.2575 | |
| 870 | Q | A | -0.8085 | |
| 871 | T | A | -0.5802 | |
| 872 | R | A | 0.0000 | |
| 873 | R | A | -1.6425 | |
| 874 | P | A | 0.0000 | |
| 875 | E | A | -0.3472 | |
| 876 | I | A | 0.9901 | |
| 877 | G | A | 0.4478 | |
| 878 | D | A | 0.0000 | |
| 879 | K | A | -0.5249 | |
| 880 | F | A | 0.0000 | |
| 881 | S | A | 0.0000 | |
| 882 | S | A | 0.0000 | |
| 883 | R | A | 0.0000 | |
| 884 | H | A | 0.0000 | |
| 885 | G | A | 0.0000 | |
| 886 | Q | A | 0.0000 | |
| 887 | K | A | -0.9315 | |
| 888 | G | A | 0.0000 | |
| 889 | V | A | -0.4291 | |
| 890 | C | A | 0.0000 | |
| 891 | G | A | 0.5270 | |
| 892 | L | A | 0.6832 | |
| 893 | I | A | 0.3108 | |
| 894 | V | A | 0.0000 | |
| 895 | P | A | -1.4567 | |
| 896 | Q | A | -1.5842 | |
| 897 | E | A | -2.1509 | |
| 898 | D | A | -1.1284 | |
| 899 | M | A | 0.0000 | |
| 900 | P | A | 0.0000 | |
| 901 | F | A | 0.2377 | |
| 902 | C | A | 0.0000 | |
| 903 | D | A | -1.5098 | |
| 904 | S | A | -0.7326 | |
| 905 | G | A | -0.3356 | |
| 906 | I | A | 0.7220 | |
| 907 | C | A | 0.1630 | |
| 908 | P | A | 0.0000 | |
| 909 | D | A | -0.3409 | |
| 910 | I | A | 0.0000 | |
| 911 | I | A | 0.0000 | |
| 912 | M | A | -0.0333 | |
| 913 | N | A | -0.5843 | |
| 914 | P | A | -0.7189 | |
| 915 | H | A | -1.3993 | |
| 916 | G | A | -1.0602 | |
| 917 | F | A | 0.0000 | |
| 918 | P | A | -0.4974 | |
| 919 | S | A | -0.7132 | |
| 920 | R | A | -0.7455 | |
| 921 | M | A | 0.0504 | |
| 922 | T | A | 0.0000 | |
| 923 | V | A | 0.4906 | |
| 924 | G | A | 0.0000 | |
| 925 | K | A | 0.0000 | |
| 926 | L | A | 0.6293 | |
| 927 | I | A | 0.0000 | |
| 928 | E | A | 0.0000 | |
| 929 | L | A | 0.0000 | |
| 930 | L | A | 0.0000 | |
| 931 | A | A | 0.0000 | |
| 932 | G | A | 0.0000 | |
| 933 | K | A | 0.0000 | |
| 934 | A | A | 0.0000 | |
| 935 | G | A | 0.0000 | |
| 936 | V | A | 1.4325 | |
| 937 | L | A | 0.2283 | |
| 938 | D | A | -0.6723 | |
| 939 | G | A | -0.5796 | |
| 940 | R | A | -0.6863 | |
| 941 | F | A | 0.6384 | |
| 942 | H | A | 0.0000 | |
| 943 | Y | A | 0.0797 | |
| 944 | G | A | 0.0000 | |
| 945 | T | A | 0.0000 | |
| 946 | A | A | 0.0000 | |
| 947 | F | A | 0.6198 | |
| 948 | G | A | -0.3913 | |
| 949 | G | A | -0.6297 | |
| 950 | S | A | -1.1399 | |
| 951 | K | A | -2.2939 | |
| 952 | V | A | -1.2918 | |
| 953 | K | A | -2.4209 | |
| 954 | D | A | -2.1841 | |
| 955 | V | A | 0.0000 | |
| 956 | C | A | 0.0000 | |
| 957 | E | A | -1.6029 | |
| 958 | D | A | 0.0000 | |
| 959 | L | A | 0.0000 | |
| 960 | V | A | 0.3651 | |
| 961 | R | A | -1.6115 | |
| 962 | H | A | -1.1408 | |
| 963 | G | A | -0.4525 | |
| 964 | Y | A | 0.2456 | |
| 965 | N | A | 0.4208 | |
| 966 | Y | A | 0.8078 | |
| 967 | L | A | 0.7648 | |
| 968 | G | A | 0.0000 | |
| 969 | K | A | 0.4529 | |
| 970 | D | A | 0.3760 | |
| 971 | Y | A | 0.3759 | |
| 972 | V | A | 0.0000 | |
| 973 | T | A | -0.4379 | |
| 974 | S | A | -0.3099 | |
| 975 | G | A | -0.5050 | |
| 976 | I | A | 0.7389 | |
| 977 | T | A | -0.0835 | |
| 978 | G | A | -0.9175 | |
| 979 | E | A | -2.0376 | |
| 980 | P | A | -1.3934 | |
| 981 | L | A | -0.6834 | |
| 982 | E | A | -1.5172 | |
| 983 | A | A | -0.0599 | |
| 984 | Y | A | 0.9785 | |
| 985 | I | A | 0.0000 | |
| 986 | Y | A | 0.4310 | |
| 987 | F | A | 0.0000 | |
| 988 | G | A | 0.0000 | |
| 989 | P | A | 0.0000 | |
| 990 | V | A | 0.0000 | |
| 991 | Y | A | 0.0000 | |
| 992 | Y | A | 0.0000 | |
| 993 | Q | A | 0.0000 | |
| 994 | K | A | 0.0000 | |
| 995 | L | A | 0.0000 | |
| 996 | K | A | -0.9861 | |
| 997 | H | A | -0.8727 | |
| 998 | M | A | 0.0000 | |
| 999 | V | A | -0.1292 | |
| 1000 | L | A | -0.2616 | |
| 1001 | D | A | -1.1313 | |
| 1002 | K | A | -1.2126 | |
| 1003 | M | A | -0.3750 | |
| 1004 | H | A | -1.3633 | |
| 1005 | A | A | -0.9947 | |
| 1006 | R | A | -1.5644 | |
| 1007 | A | A | -1.0314 | |
| 1008 | R | A | -2.5625 | |
| 1009 | G | A | -2.4351 | |
| 1010 | P | A | -2.2214 | |
| 1011 | R | A | -1.9827 | |
| 1012 | A | A | 0.0812 | |
| 1013 | V | A | 1.8991 | |
| 1014 | L | A | 2.0532 | |
| 1015 | T | A | 0.7088 | |
| 1016 | R | A | -0.3586 | |
| 1017 | Q | A | -1.1732 | |
| 1018 | P | A | 0.0000 | |
| 1019 | T | A | -2.5040 | |
| 1020 | E | A | -3.0816 | |
| 1021 | G | A | -2.6300 | |
| 1022 | R | A | -2.9504 | |
| 1023 | S | A | -2.5781 | |
| 1024 | R | A | -3.8154 | |
| 1025 | D | A | -4.0168 | |
| 1026 | G | A | 0.0000 | |
| 1027 | G | A | -1.8806 | |
| 1028 | L | A | -0.2355 | |
| 1029 | R | A | -1.8696 | |
| 1030 | L | A | -1.3879 | |
| 1031 | G | A | -1.6087 | |
| 1032 | E | A | -2.5686 | |
| 1033 | M | A | -0.9585 | |
| 1034 | E | A | -1.9987 | |
| 1035 | R | A | -1.9042 | |
| 1036 | D | A | -1.7182 | |
| 1037 | C | A | -0.3194 | |
| 1038 | L | A | 0.0000 | |
| 1039 | I | A | 1.5248 | |
| 1040 | G | A | 0.3948 | |
| 1041 | Y | A | 1.4271 | |
| 1042 | G | A | 0.7778 | |
| 1043 | A | A | 0.9037 | |
| 1044 | S | A | 0.7582 | |
| 1045 | M | A | 1.0927 | |
| 1046 | L | A | 0.8619 | |
| 1047 | L | A | 0.3500 | |
| 1048 | L | A | 0.5547 | |
| 1049 | E | A | -0.8087 | |
| 1050 | R | A | -1.6375 | |
| 1051 | L | A | -0.4468 | |
| 1052 | M | A | 0.0000 | |
| 1053 | I | A | 0.4116 | |
| 1054 | S | A | -0.7995 | |
| 1055 | S | A | -0.8989 | |
| 1056 | D | A | 0.0000 | |
| 1057 | A | A | -0.3783 | |
| 1058 | F | A | -0.7827 | |
| 1059 | E | A | -2.2413 | |
| 1060 | V | A | 0.0000 | |
| 1061 | D | A | -0.4824 | |
| 1062 | V | A | 0.0000 | |
| 1063 | C | A | 0.0000 | |
| 1064 | G | A | -1.6832 | |
| 1065 | Q | A | -1.5918 | |
| 1066 | C | A | 0.0000 | |
| 1067 | G | A | 0.0000 | |
| 1068 | L | A | -0.2907 | |
| 1069 | L | A | 0.4212 | |
| 1070 | G | A | 0.6366 | |
| 1071 | Y | A | 0.9931 | |
| 1072 | S | A | 0.4401 | |
| 1073 | G | A | 0.2686 | |
| 1074 | W | A | 0.4145 | |
| 1075 | C | A | 0.0000 | |
| 1076 | H | A | -0.4828 | |
| 1077 | Y | A | 0.4469 | |
| 1078 | C | A | -0.4684 | |
| 1079 | K | A | -1.4173 | |
| 1080 | S | A | -0.8268 | |
| 1081 | S | A | -0.2794 | |
| 1082 | C | A | -0.0675 | |
| 1083 | H | A | -0.8703 | |
| 1084 | V | A | -0.1308 | |
| 1085 | S | A | -0.4470 | |
| 1086 | S | A | -0.8720 | |
| 1087 | L | A | -1.1914 | |
| 1088 | R | A | -2.3100 | |
| 1089 | I | A | 0.0000 | |
| 1090 | P | A | -0.3046 | |
| 1091 | Y | A | -0.1290 | |
| 1092 | A | A | 0.2200 | |
| 1093 | C | A | -0.0517 | |
| 1094 | K | A | -0.8031 | |
| 1095 | L | A | -0.1599 | |
| 1096 | L | A | 0.0577 | |
| 1097 | F | A | -0.2006 | |
| 1098 | Q | A | -1.3547 | |
| 1099 | E | A | -1.2843 | |
| 1100 | L | A | -0.0722 | |
| 1101 | Q | A | -0.5518 | |
| 1102 | S | A | -0.6000 | |
| 1103 | M | A | 0.3142 | |
| 1104 | N | A | -0.3765 | |
| 1105 | I | A | 0.9306 | |
| 1106 | I | A | 0.6237 | |
| 1107 | P | A | -0.4489 | |
| 1108 | R | A | -1.6081 | |
| 1109 | L | A | -1.1808 | |
| 1110 | K | A | -2.4015 | |
| 1111 | L | A | -1.2832 | |
| 1112 | S | A | -1.3361 | |
| 1113 | K | A | -1.5838 | |
| 1114 | Y | A | -0.1454 | |
| 1115 | N | A | -1.0240 |
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 | -0.6633 | 3.5345 | View | CSV | PDB |
| 4.5 | -0.7123 | 3.4671 | View | CSV | PDB |
| 5.0 | -0.7732 | 3.3761 | View | CSV | PDB |
| 5.5 | -0.8327 | 3.2766 | View | CSV | PDB |
| 6.0 | -0.8762 | 3.184 | View | CSV | PDB |
| 6.5 | -0.8938 | 3.1136 | View | CSV | PDB |
| 7.0 | -0.8859 | 3.0732 | View | CSV | PDB |
| 7.5 | -0.8602 | 3.0558 | View | CSV | PDB |
| 8.0 | -0.8246 | 3.0495 | View | CSV | PDB |
| 8.5 | -0.782 | 3.0474 | View | CSV | PDB |
| 9.0 | -0.7327 | 3.0467 | 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