| Chain sequence(s) |
A: HHHHHHMSDQEAKPSTEDLGDKEEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLTFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQEWSLNFKKALVALFQTKMETSTLDLEMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKEIDSCKKSAVYTFMKPAVKAESCNSFKCLSNTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTESIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEMVSKGEEDNMAIIKEFMRFKVHMEGSVNGHEFEIEGEGEGRPYEGTQTAKLKVTKGGPLPFAWDILSPQFMYGSKAYVKHPADIPDYLKLSFPEGFKWERVMNFEDGGVVTVTQDSSLQDGEFIYKVKLRGTNFPSDGPVMQKKTMGWEASSERMYPEDGALKGEIKQRLKLKDGGHYDAEVKTTYKAKKPVQLPGAYNVNIKLDITSHNEDYTIVEQYERAEGRHSTGGMDELYKGGSGVEHHHHHH
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 (00:46:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c0b9c254680a03a/tmp/folded.pdb (00:46:22)
[INFO] Main: Simulation completed successfully. (01:02:57)
|
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 | H | A | -1.8201 | |
| 2 | H | A | -2.3174 | |
| 3 | H | A | -2.4603 | |
| 4 | H | A | -2.4229 | |
| 5 | H | A | -2.1344 | |
| 6 | H | A | -1.4762 | |
| 7 | M | A | -0.5186 | |
| 8 | S | A | -1.5464 | |
| 9 | D | A | -2.8185 | |
| 10 | Q | A | -3.0918 | |
| 11 | E | A | -3.3879 | |
| 12 | A | A | -2.2966 | |
| 13 | K | A | -2.4826 | |
| 14 | P | A | -1.6659 | |
| 15 | S | A | -1.5365 | |
| 16 | T | A | -1.5692 | |
| 17 | E | A | -2.4350 | |
| 18 | D | A | -2.3462 | |
| 19 | L | A | -0.7727 | |
| 20 | G | A | -2.0555 | |
| 21 | D | A | -3.5490 | |
| 22 | K | A | -3.9085 | |
| 23 | E | A | -4.4184 | |
| 24 | E | A | -4.0637 | |
| 25 | G | A | -2.6589 | |
| 26 | E | A | -3.0015 | |
| 27 | Y | A | -1.7215 | |
| 28 | I | A | 0.0000 | |
| 29 | K | A | -2.8935 | |
| 30 | L | A | 0.0000 | |
| 31 | K | A | -1.7447 | |
| 32 | V | A | 0.0000 | |
| 33 | I | A | -0.8027 | |
| 34 | G | A | 0.0000 | |
| 35 | Q | A | -1.9517 | |
| 36 | D | A | -2.6725 | |
| 37 | S | A | -1.7463 | |
| 38 | S | A | -1.3531 | |
| 39 | E | A | -1.6635 | |
| 40 | I | A | -0.8650 | |
| 41 | H | A | -1.6430 | |
| 42 | F | A | -1.5445 | |
| 43 | K | A | -2.5847 | |
| 44 | V | A | 0.0000 | |
| 45 | K | A | -1.8153 | |
| 46 | M | A | -2.0530 | |
| 47 | T | A | -1.3370 | |
| 48 | T | A | -1.3427 | |
| 49 | H | A | -2.5353 | |
| 50 | L | A | 0.0000 | |
| 51 | K | A | -2.9428 | |
| 52 | K | A | -3.1452 | |
| 53 | L | A | 0.0000 | |
| 54 | K | A | 0.0000 | |
| 55 | E | A | -3.4285 | |
| 56 | S | A | -2.4590 | |
| 57 | Y | A | 0.0000 | |
| 58 | C | A | 0.0000 | |
| 59 | Q | A | -2.8395 | |
| 60 | R | A | -2.9808 | |
| 61 | Q | A | -2.1013 | |
| 62 | G | A | -1.5659 | |
| 63 | V | A | -1.1787 | |
| 64 | P | A | -0.9967 | |
| 65 | M | A | -1.2762 | |
| 66 | N | A | -1.8504 | |
| 67 | S | A | -1.6640 | |
| 68 | L | A | 0.0000 | |
| 69 | T | A | -1.5753 | |
| 70 | F | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | F | A | 0.0000 | |
| 73 | E | A | -2.7398 | |
| 74 | G | A | -2.8623 | |
| 75 | Q | A | -2.8758 | |
| 76 | R | A | -3.0235 | |
| 77 | I | A | 0.0000 | |
| 78 | A | A | -1.7241 | |
| 79 | D | A | -2.6883 | |
| 80 | N | A | -2.5805 | |
| 81 | H | A | -2.3079 | |
| 82 | T | A | -2.1778 | |
| 83 | P | A | 0.0000 | |
| 84 | K | A | -3.2918 | |
| 85 | E | A | -2.9158 | |
| 86 | L | A | -2.0001 | |
| 87 | G | A | -1.9702 | |
| 88 | M | A | 0.0000 | |
| 89 | E | A | -3.5265 | |
| 90 | E | A | -4.1030 | |
| 91 | E | A | -3.7238 | |
| 92 | D | A | -2.6099 | |
| 93 | V | A | -1.2491 | |
| 94 | I | A | 0.0000 | |
| 95 | E | A | -1.5445 | |
| 96 | V | A | 0.0000 | |
| 97 | Y | A | -1.2773 | |
| 98 | Q | A | -2.4393 | |
| 99 | E | A | -3.1674 | |
| 100 | Q | A | -2.5550 | |
| 101 | T | A | -1.8663 | |
| 102 | G | A | -1.5810 | |
| 103 | G | A | -1.6346 | |
| 104 | H | A | -1.0728 | |
| 105 | S | A | -0.9004 | |
| 106 | T | A | 0.0000 | |
| 107 | V | A | 0.0054 | |
| 108 | W | A | 0.0000 | |
| 109 | Q | A | -0.6526 | |
| 110 | A | A | -0.7611 | |
| 111 | G | A | -1.1534 | |
| 112 | K | A | -1.0861 | |
| 113 | E | A | 0.0000 | |
| 114 | H | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | H | A | -1.1694 | |
| 118 | Y | A | 0.0000 | |
| 119 | T | A | -0.3854 | |
| 120 | G | A | 0.0000 | |
| 121 | R | A | -0.2697 | |
| 122 | L | A | -0.1344 | |
| 123 | L | A | 0.0000 | |
| 124 | S | A | -0.1156 | |
| 125 | G | A | -0.6081 | |
| 126 | I | A | -0.6195 | |
| 127 | P | A | -0.8836 | |
| 128 | G | A | -1.0493 | |
| 129 | L | A | -0.7101 | |
| 130 | R | A | -1.9406 | |
| 131 | P | A | -1.4123 | |
| 132 | H | A | -1.7276 | |
| 133 | F | A | 0.0000 | |
| 134 | S | A | -1.0541 | |
| 135 | G | A | -0.7160 | |
| 136 | I | A | 0.0000 | |
| 137 | G | A | 0.0000 | |
| 138 | I | A | -0.1267 | |
| 139 | E | A | -0.7602 | |
| 140 | T | A | 0.0000 | |
| 141 | E | A | -1.2886 | |
| 142 | V | A | 0.0000 | |
| 143 | H | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | Q | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | K | A | -1.8806 | |
| 148 | S | A | -1.2336 | |
| 149 | L | A | -0.9712 | |
| 150 | E | A | -2.1016 | |
| 151 | D | A | -1.5153 | |
| 152 | I | A | 0.0000 | |
| 153 | R | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | N | A | -0.5647 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -1.8917 | |
| 158 | Q | A | -2.0998 | |
| 159 | V | A | 0.0000 | |
| 160 | N | A | -1.1874 | |
| 161 | Y | A | -0.4568 | |
| 162 | T | A | 0.0000 | |
| 163 | Q | A | -1.1252 | |
| 164 | V | A | 0.0000 | |
| 165 | N | A | -1.7849 | |
| 166 | G | A | -1.4521 | |
| 167 | P | A | -1.2627 | |
| 168 | L | A | 0.0000 | |
| 169 | S | A | 0.0158 | |
| 170 | P | A | -0.0534 | |
| 171 | G | A | 0.0000 | |
| 172 | L | A | 1.1090 | |
| 173 | P | A | -0.0861 | |
| 174 | H | A | -0.4205 | |
| 175 | V | A | -0.1461 | |
| 176 | T | A | -0.3266 | |
| 177 | S | A | -0.5187 | |
| 178 | S | A | -0.9977 | |
| 179 | Y | A | -0.9374 | |
| 180 | E | A | -1.7223 | |
| 181 | G | A | -0.6421 | |
| 182 | S | A | -0.8629 | |
| 183 | N | A | 0.0000 | |
| 184 | W | A | 0.0000 | |
| 185 | R | A | 0.0000 | |
| 186 | Y | A | 0.3917 | |
| 187 | V | A | 0.0000 | |
| 188 | L | A | 0.9089 | |
| 189 | L | A | 0.2206 | |
| 190 | P | A | -0.3988 | |
| 191 | Q | A | -0.9100 | |
| 192 | F | A | -0.4085 | |
| 193 | T | A | -0.7954 | |
| 194 | Q | A | -1.1381 | |
| 195 | A | A | 0.0000 | |
| 196 | P | A | -0.2394 | |
| 197 | I | A | 0.5366 | |
| 198 | D | A | -1.2747 | |
| 199 | I | A | -0.8842 | |
| 200 | K | A | -1.5777 | |
| 201 | K | A | -2.0824 | |
| 202 | L | A | -1.2290 | |
| 203 | L | A | 0.0000 | |
| 204 | K | A | -2.0467 | |
| 205 | V | A | -0.9357 | |
| 206 | P | A | 0.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | T | A | 0.0000 | |
| 209 | F | A | 0.0000 | |
| 210 | A | A | 0.0000 | |
| 211 | I | A | 0.0000 | |
| 212 | H | A | -2.0303 | |
| 213 | D | A | -2.3937 | |
| 214 | G | A | 0.0000 | |
| 215 | E | A | -1.6406 | |
| 216 | I | A | 0.0000 | |
| 217 | K | A | -2.2401 | |
| 218 | T | A | -1.6744 | |
| 219 | I | A | 0.0000 | |
| 220 | T | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | G | A | -1.0258 | |
| 224 | T | A | -0.8256 | |
| 225 | E | A | 0.0000 | |
| 226 | Q | A | -1.1093 | |
| 227 | E | A | -0.4657 | |
| 228 | W | A | -0.2173 | |
| 229 | S | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | N | A | -0.0329 | |
| 232 | F | A | 0.2241 | |
| 233 | K | A | 0.0000 | |
| 234 | K | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | A | A | -0.0375 | |
| 239 | L | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | Q | A | 0.0000 | |
| 242 | T | A | 0.0000 | |
| 243 | K | A | 0.0000 | |
| 244 | M | A | 0.0000 | |
| 245 | E | A | 0.0000 | |
| 246 | T | A | -0.9638 | |
| 247 | S | A | -0.6975 | |
| 248 | T | A | -0.4446 | |
| 249 | L | A | -0.5714 | |
| 250 | D | A | -1.7674 | |
| 251 | L | A | -1.3129 | |
| 252 | E | A | -2.0023 | |
| 253 | M | A | -0.2860 | |
| 254 | N | A | -0.6370 | |
| 255 | T | A | 0.5202 | |
| 256 | I | A | 1.8791 | |
| 257 | V | A | 1.1337 | |
| 258 | K | A | -1.7093 | |
| 259 | D | A | -2.6500 | |
| 260 | S | A | -2.6591 | |
| 261 | D | A | -2.6872 | |
| 262 | S | A | -2.3744 | |
| 263 | T | A | -1.3706 | |
| 264 | K | A | -1.5238 | |
| 265 | N | A | -0.9267 | |
| 266 | Y | A | -0.4022 | |
| 267 | W | A | 0.0000 | |
| 268 | K | A | -0.8463 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | -0.9394 | |
| 271 | E | A | 0.0000 | |
| 272 | E | A | -0.9064 | |
| 273 | T | A | 0.0000 | |
| 274 | I | A | 0.3400 | |
| 275 | E | A | -0.0300 | |
| 276 | G | A | 0.0000 | |
| 277 | V | A | -0.8645 | |
| 278 | C | A | 0.0000 | |
| 279 | D | A | -1.0381 | |
| 280 | V | A | 0.0000 | |
| 281 | I | A | 0.0000 | |
| 282 | Y | A | 0.0000 | |
| 283 | Q | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | N | A | -1.2809 | |
| 286 | E | A | -2.5009 | |
| 287 | L | A | 0.0000 | |
| 288 | P | A | -1.3952 | |
| 289 | E | A | -2.3023 | |
| 290 | Y | A | -0.6010 | |
| 291 | I | A | -1.0623 | |
| 292 | V | A | 0.0000 | |
| 293 | K | A | -2.6738 | |
| 294 | E | A | -2.6625 | |
| 295 | R | A | -1.9072 | |
| 296 | A | A | -1.5184 | |
| 297 | H | A | -1.2527 | |
| 298 | Y | A | -0.6897 | |
| 299 | F | A | 0.0000 | |
| 300 | P | A | -0.8367 | |
| 301 | H | A | -0.9586 | |
| 302 | L | A | -0.8444 | |
| 303 | E | A | -1.7280 | |
| 304 | A | A | -0.8864 | |
| 305 | C | A | 0.0000 | |
| 306 | T | A | -1.1097 | |
| 307 | S | A | -1.1587 | |
| 308 | K | A | -1.6094 | |
| 309 | K | A | -2.7294 | |
| 310 | F | A | -1.6828 | |
| 311 | Y | A | 0.0000 | |
| 312 | E | A | -0.7247 | |
| 313 | I | A | 0.0000 | |
| 314 | T | A | 0.0000 | |
| 315 | K | A | 0.0000 | |
| 316 | T | A | 0.0000 | |
| 317 | K | A | 0.0000 | |
| 318 | E | A | 0.0000 | |
| 319 | I | A | -0.7801 | |
| 320 | D | A | -2.1619 | |
| 321 | S | A | -1.6099 | |
| 322 | C | A | 0.0000 | |
| 323 | K | A | -2.7641 | |
| 324 | K | A | -1.8379 | |
| 325 | S | A | -0.5413 | |
| 326 | A | A | 0.0000 | |
| 327 | V | A | 0.7669 | |
| 328 | Y | A | 0.0000 | |
| 329 | T | A | 0.2683 | |
| 330 | F | A | 0.2227 | |
| 331 | M | A | 0.0805 | |
| 332 | K | A | -0.1207 | |
| 333 | P | A | -0.4873 | |
| 334 | A | A | -0.6859 | |
| 335 | V | A | -1.1066 | |
| 336 | K | A | -2.6624 | |
| 337 | A | A | -1.8671 | |
| 338 | E | A | -2.5431 | |
| 339 | S | A | -1.5073 | |
| 340 | C | A | -1.0721 | |
| 341 | N | A | -1.1462 | |
| 342 | S | A | -0.1827 | |
| 343 | F | A | 0.6651 | |
| 344 | K | A | -0.4320 | |
| 345 | C | A | -0.1853 | |
| 346 | L | A | 0.7407 | |
| 347 | S | A | 0.1014 | |
| 348 | N | A | -0.5889 | |
| 349 | T | A | -0.2545 | |
| 350 | F | A | 0.0843 | |
| 351 | G | A | -0.0603 | |
| 352 | S | A | -0.1618 | |
| 353 | A | A | 0.1467 | |
| 354 | S | A | 0.0000 | |
| 355 | S | A | 0.0000 | |
| 356 | M | A | 0.0000 | |
| 357 | T | A | 0.0000 | |
| 358 | R | A | -0.2762 | |
| 359 | Y | A | 0.0000 | |
| 360 | Y | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | C | A | 0.0000 | |
| 363 | G | A | 0.0000 | |
| 364 | P | A | -1.1942 | |
| 365 | R | A | -0.9918 | |
| 366 | S | A | -0.9532 | |
| 367 | N | A | -1.2550 | |
| 368 | W | A | 0.0000 | |
| 369 | I | A | 0.0223 | |
| 370 | L | A | 0.0000 | |
| 371 | Q | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | I | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | N | A | -0.2862 | |
| 376 | E | A | 0.0000 | |
| 377 | G | A | 0.0820 | |
| 378 | E | A | 0.0000 | |
| 379 | I | A | 0.9945 | |
| 380 | V | A | 0.3770 | |
| 381 | Q | A | -0.0683 | |
| 382 | R | A | -0.7285 | |
| 383 | P | A | 0.2391 | |
| 384 | V | A | 0.5247 | |
| 385 | G | A | -0.1636 | |
| 386 | V | A | -0.2913 | |
| 387 | K | A | -1.6493 | |
| 388 | S | A | -1.2253 | |
| 389 | E | A | -1.4529 | |
| 390 | T | A | -0.6837 | |
| 391 | I | A | -0.0141 | |
| 392 | T | A | 0.0000 | |
| 393 | T | A | 0.4115 | |
| 394 | G | A | 0.0000 | |
| 395 | T | A | -0.0806 | |
| 396 | R | A | -0.3467 | |
| 397 | Q | A | -0.3345 | |
| 398 | V | A | -0.2573 | |
| 399 | L | A | 0.0000 | |
| 400 | K | A | -1.1056 | |
| 401 | L | A | 0.0000 | |
| 402 | R | A | -1.7471 | |
| 403 | T | A | -0.6854 | |
| 404 | I | A | -0.0567 | |
| 405 | Q | A | -0.6121 | |
| 406 | P | A | -0.6157 | |
| 407 | I | A | -0.8290 | |
| 408 | S | A | -0.8245 | |
| 409 | S | A | -1.1581 | |
| 410 | E | A | -2.2537 | |
| 411 | V | A | 0.0000 | |
| 412 | P | A | -1.4269 | |
| 413 | K | A | -1.9392 | |
| 414 | P | A | 0.0000 | |
| 415 | P | A | -1.2545 | |
| 416 | Q | A | -1.7269 | |
| 417 | P | A | -0.9813 | |
| 418 | R | A | 0.0000 | |
| 419 | T | A | -0.1128 | |
| 420 | T | A | 0.0000 | |
| 421 | E | A | -2.1501 | |
| 422 | S | A | -1.0754 | |
| 423 | I | A | 0.0000 | |
| 424 | M | A | 0.0030 | |
| 425 | Y | A | 0.5500 | |
| 426 | E | A | 0.0000 | |
| 427 | Y | A | 0.0000 | |
| 428 | I | A | -0.0435 | |
| 429 | N | A | 0.0000 | |
| 430 | A | A | -0.3862 | |
| 431 | G | A | -0.7664 | |
| 432 | Q | A | -1.5518 | |
| 433 | V | A | -0.5391 | |
| 434 | S | A | -1.5742 | |
| 435 | R | A | -2.6165 | |
| 436 | Q | A | -1.9673 | |
| 437 | Q | A | -1.0448 | |
| 438 | I | A | 0.4351 | |
| 439 | G | A | 0.7291 | |
| 440 | I | A | 1.9676 | |
| 441 | I | A | 1.2603 | |
| 442 | P | A | 0.0112 | |
| 443 | K | A | -0.9868 | |
| 444 | I | A | 0.0000 | |
| 445 | P | A | -0.9266 | |
| 446 | Q | A | -1.2652 | |
| 447 | S | A | -1.1862 | |
| 448 | E | A | -1.3092 | |
| 449 | L | A | 0.0000 | |
| 450 | K | A | -1.7429 | |
| 451 | S | A | -1.2814 | |
| 452 | G | A | 0.0000 | |
| 453 | E | A | -1.2759 | |
| 454 | I | A | 0.0000 | |
| 455 | Y | A | -0.6015 | |
| 456 | K | A | -1.1330 | |
| 457 | Y | A | -0.4319 | |
| 458 | L | A | 0.0000 | |
| 459 | P | A | -0.1766 | |
| 460 | R | A | -0.5963 | |
| 461 | H | A | -0.6723 | |
| 462 | F | A | -0.2133 | |
| 463 | N | A | -0.6093 | |
| 464 | P | A | -0.1880 | |
| 465 | A | A | -0.3489 | |
| 466 | P | A | -0.5059 | |
| 467 | S | A | -1.0297 | |
| 468 | S | A | -1.2811 | |
| 469 | T | A | -1.9523 | |
| 470 | E | A | -2.9979 | |
| 471 | S | A | -2.5394 | |
| 472 | K | A | -3.2239 | |
| 473 | Q | A | -2.9082 | |
| 474 | H | A | -2.3414 | |
| 475 | L | A | -1.0603 | |
| 476 | S | A | -0.9276 | |
| 477 | A | A | -1.0207 | |
| 478 | T | A | -1.1373 | |
| 479 | K | A | -2.2117 | |
| 480 | I | A | 0.0000 | |
| 481 | K | A | -1.5893 | |
| 482 | A | A | -1.7548 | |
| 483 | E | A | -2.0973 | |
| 484 | L | A | 0.0000 | |
| 485 | K | A | -1.4064 | |
| 486 | S | A | -0.7258 | |
| 487 | Y | A | -0.4410 | |
| 488 | I | A | 0.0000 | |
| 489 | I | A | -0.3255 | |
| 490 | S | A | -0.6384 | |
| 491 | I | A | 0.0000 | |
| 492 | I | A | 0.0000 | |
| 493 | D | A | -1.8510 | |
| 494 | D | A | -1.3016 | |
| 495 | L | A | 0.0459 | |
| 496 | S | A | -0.7990 | |
| 497 | S | A | -0.3708 | |
| 498 | V | A | 0.6489 | |
| 499 | E | A | -1.8288 | |
| 500 | E | A | -2.6273 | |
| 501 | L | A | -0.9772 | |
| 502 | A | A | -1.2980 | |
| 503 | Q | A | -2.4458 | |
| 504 | K | A | -2.0730 | |
| 505 | E | A | -2.2482 | |
| 506 | I | A | 0.0000 | |
| 507 | P | A | -0.3103 | |
| 508 | L | A | -0.0608 | |
| 509 | R | A | -0.4433 | |
| 510 | L | A | 0.1045 | |
| 511 | T | A | 0.1302 | |
| 512 | T | A | -0.1720 | |
| 513 | F | A | 0.0000 | |
| 514 | I | A | 0.0000 | |
| 515 | R | A | -0.8007 | |
| 516 | G | A | -0.5541 | |
| 517 | M | A | 0.0000 | |
| 518 | T | A | 0.0000 | |
| 519 | L | A | -0.4596 | |
| 520 | L | A | 0.0000 | |
| 521 | K | A | -1.9245 | |
| 522 | V | A | -1.5694 | |
| 523 | E | A | -2.3669 | |
| 524 | D | A | -1.6840 | |
| 525 | I | A | 0.0000 | |
| 526 | K | A | -1.7341 | |
| 527 | S | A | -1.5882 | |
| 528 | L | A | 0.0000 | |
| 529 | Y | A | 0.0000 | |
| 530 | T | A | -1.2907 | |
| 531 | D | A | -1.9851 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | -0.9381 | |
| 534 | S | A | -0.8695 | |
| 535 | T | A | -0.6599 | |
| 536 | V | A | 0.0000 | |
| 537 | Y | A | -0.1473 | |
| 538 | S | A | -0.2305 | |
| 539 | P | A | -0.4250 | |
| 540 | A | A | -0.3824 | |
| 541 | H | A | -1.0798 | |
| 542 | S | A | -1.2024 | |
| 543 | N | A | -2.0699 | |
| 544 | Q | A | -2.4454 | |
| 545 | E | A | -2.7597 | |
| 546 | K | A | -1.9914 | |
| 547 | I | A | -1.2748 | |
| 548 | S | A | -1.2891 | |
| 549 | M | A | -1.0425 | |
| 550 | F | A | 0.0000 | |
| 551 | H | A | -0.8569 | |
| 552 | N | A | -0.8941 | |
| 553 | I | A | -0.3527 | |
| 554 | F | A | 0.0000 | |
| 555 | F | A | 0.0000 | |
| 556 | D | A | -0.6184 | |
| 557 | A | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | M | A | 0.0000 | |
| 560 | V | A | 0.0356 | |
| 561 | S | A | 0.0000 | |
| 562 | G | A | 0.0000 | |
| 563 | T | A | 0.0000 | |
| 564 | T | A | 0.0000 | |
| 565 | P | A | 0.0000 | |
| 566 | A | A | 0.0000 | |
| 567 | V | A | 0.0000 | |
| 568 | L | A | -0.3151 | |
| 569 | F | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | K | A | -0.6729 | |
| 572 | D | A | -1.1678 | |
| 573 | M | A | -1.0738 | |
| 574 | I | A | 0.0000 | |
| 575 | K | A | -2.0873 | |
| 576 | S | A | -1.5689 | |
| 577 | K | A | -2.2525 | |
| 578 | E | A | -1.5470 | |
| 579 | I | A | 0.0000 | |
| 580 | P | A | -0.2204 | |
| 581 | T | A | 0.6019 | |
| 582 | Y | A | 1.8000 | |
| 583 | Q | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | T | A | 1.3812 | |
| 586 | Y | A | 1.4865 | |
| 587 | L | A | 0.0000 | |
| 588 | L | A | 0.0000 | |
| 589 | M | A | 0.7374 | |
| 590 | L | A | 0.4301 | |
| 591 | L | A | 0.0000 | |
| 592 | P | A | -0.1550 | |
| 593 | H | A | -0.3865 | |
| 594 | H | A | -0.1848 | |
| 595 | I | A | 0.0000 | |
| 596 | I | A | 0.0000 | |
| 597 | T | A | 0.0000 | |
| 598 | P | A | 0.0000 | |
| 599 | T | A | 0.0000 | |
| 600 | K | A | -2.1925 | |
| 601 | E | A | -1.3711 | |
| 602 | V | A | 0.0000 | |
| 603 | F | A | 0.0000 | |
| 604 | T | A | -1.0836 | |
| 605 | S | A | 0.0000 | |
| 606 | L | A | 0.0000 | |
| 607 | L | A | -0.9765 | |
| 608 | E | A | -1.9754 | |
| 609 | I | A | 0.0000 | |
| 610 | I | A | 0.0000 | |
| 611 | Q | A | -1.6985 | |
| 612 | S | A | 0.0000 | |
| 613 | E | A | -2.0146 | |
| 614 | I | A | -1.1917 | |
| 615 | V | A | 0.0000 | |
| 616 | I | A | 0.0128 | |
| 617 | S | A | -0.1821 | |
| 618 | N | A | 0.1603 | |
| 619 | T | A | 0.6019 | |
| 620 | I | A | 1.8705 | |
| 621 | L | A | 0.0000 | |
| 622 | Y | A | 0.0000 | |
| 623 | N | A | 0.4183 | |
| 624 | T | A | 0.8014 | |
| 625 | A | A | 0.0000 | |
| 626 | I | A | 0.0000 | |
| 627 | L | A | 0.2991 | |
| 628 | S | A | 0.0000 | |
| 629 | M | A | 0.0000 | |
| 630 | S | A | 0.0000 | |
| 631 | N | A | -0.3842 | |
| 632 | L | A | 0.0000 | |
| 633 | V | A | 0.0000 | |
| 634 | E | A | 0.0000 | |
| 635 | K | A | -1.2422 | |
| 636 | T | A | 0.0000 | |
| 637 | C | A | 0.0000 | |
| 638 | L | A | 0.0000 | |
| 639 | D | A | -1.4995 | |
| 640 | K | A | -2.2199 | |
| 641 | S | A | -1.9104 | |
| 642 | R | A | -1.9527 | |
| 643 | Q | A | -1.9058 | |
| 644 | V | A | -1.0344 | |
| 645 | S | A | -0.5223 | |
| 646 | Y | A | 0.0000 | |
| 647 | P | A | 0.0000 | |
| 648 | T | A | -0.8413 | |
| 649 | A | A | -0.4205 | |
| 650 | V | A | 0.0000 | |
| 651 | F | A | 0.0000 | |
| 652 | G | A | -1.0923 | |
| 653 | Q | A | -1.5997 | |
| 654 | F | A | 0.0000 | |
| 655 | C | A | 0.0000 | |
| 656 | D | A | -1.7900 | |
| 657 | A | A | -1.4889 | |
| 658 | Q | A | -2.1531 | |
| 659 | S | A | -2.4000 | |
| 660 | E | A | -3.4046 | |
| 661 | I | A | 0.0000 | |
| 662 | V | A | 0.0000 | |
| 663 | T | A | -2.4989 | |
| 664 | E | A | -3.2654 | |
| 665 | K | A | -2.5671 | |
| 666 | W | A | 0.0000 | |
| 667 | I | A | 0.0000 | |
| 668 | P | A | -1.5554 | |
| 669 | Y | A | -1.1792 | |
| 670 | L | A | 0.0000 | |
| 671 | T | A | -1.2707 | |
| 672 | K | A | -2.0861 | |
| 673 | A | A | 0.0000 | |
| 674 | V | A | 0.0000 | |
| 675 | Q | A | -1.6584 | |
| 676 | T | A | -1.1552 | |
| 677 | A | A | -1.1406 | |
| 678 | P | A | -0.8210 | |
| 679 | T | A | -0.9055 | |
| 680 | A | A | -0.8876 | |
| 681 | D | A | -1.7038 | |
| 682 | R | A | 0.0000 | |
| 683 | R | A | 0.0000 | |
| 684 | N | A | -0.4391 | |
| 685 | A | A | -0.1844 | |
| 686 | I | A | 0.0000 | |
| 687 | I | A | 0.0000 | |
| 688 | M | A | 0.4563 | |
| 689 | A | A | 0.0000 | |
| 690 | L | A | 0.0000 | |
| 691 | G | A | 0.0000 | |
| 692 | A | A | -0.0961 | |
| 693 | L | A | 0.0000 | |
| 694 | K | A | -0.7033 | |
| 695 | H | A | 0.0000 | |
| 696 | K | A | -1.5250 | |
| 697 | D | A | -1.7056 | |
| 698 | I | A | 0.0000 | |
| 699 | I | A | -0.3774 | |
| 700 | P | A | -0.5074 | |
| 701 | A | A | 0.0000 | |
| 702 | L | A | 0.0000 | |
| 703 | L | A | -0.3487 | |
| 704 | P | A | -1.0519 | |
| 705 | L | A | 0.0000 | |
| 706 | V | A | 0.0000 | |
| 707 | E | A | -2.2085 | |
| 708 | G | A | -1.5442 | |
| 709 | H | A | -1.3742 | |
| 710 | G | A | 0.0000 | |
| 711 | P | A | -0.4272 | |
| 712 | I | A | 0.4363 | |
| 713 | E | A | -0.8173 | |
| 714 | Q | A | -1.3723 | |
| 715 | G | A | -1.0181 | |
| 716 | S | A | -0.3906 | |
| 717 | G | A | 0.0367 | |
| 718 | V | A | 1.3932 | |
| 719 | A | A | 0.6012 | |
| 720 | F | A | 0.0000 | |
| 721 | P | A | 0.3745 | |
| 722 | N | A | -0.7549 | |
| 723 | I | A | 1.0465 | |
| 724 | S | A | 0.0000 | |
| 725 | R | A | -0.6453 | |
| 726 | T | A | 0.0000 | |
| 727 | L | A | 0.6588 | |
| 728 | S | A | 0.0000 | |
| 729 | I | A | 0.0000 | |
| 730 | Y | A | 0.3895 | |
| 731 | A | A | 0.0000 | |
| 732 | I | A | 0.0000 | |
| 733 | G | A | 0.0000 | |
| 734 | N | A | -0.3407 | |
| 735 | V | A | 0.0000 | |
| 736 | R | A | -0.6765 | |
| 737 | V | A | 0.6379 | |
| 738 | H | A | -0.5447 | |
| 739 | H | A | -0.8378 | |
| 740 | P | A | -0.9991 | |
| 741 | E | A | -1.7407 | |
| 742 | L | A | -0.5026 | |
| 743 | V | A | 0.0000 | |
| 744 | L | A | -0.2903 | |
| 745 | P | A | -0.1768 | |
| 746 | I | A | 0.2411 | |
| 747 | I | A | 0.0000 | |
| 748 | L | A | -0.0349 | |
| 749 | S | A | -0.3089 | |
| 750 | V | A | 0.0000 | |
| 751 | Y | A | 0.0000 | |
| 752 | S | A | -0.6359 | |
| 753 | N | A | -0.9940 | |
| 754 | P | A | -1.1614 | |
| 755 | A | A | -0.5845 | |
| 756 | E | A | -1.2407 | |
| 757 | N | A | -1.4567 | |
| 758 | T | A | -1.3851 | |
| 759 | Q | A | -1.3497 | |
| 760 | L | A | 0.0000 | |
| 761 | R | A | 0.0000 | |
| 762 | I | A | -0.8006 | |
| 763 | A | A | 0.0000 | |
| 764 | A | A | 0.0000 | |
| 765 | F | A | 0.0000 | |
| 766 | N | A | -0.8527 | |
| 767 | M | A | 0.0000 | |
| 768 | L | A | 0.0000 | |
| 769 | V | A | -0.8242 | |
| 770 | N | A | -1.6772 | |
| 771 | M | A | -0.6327 | |
| 772 | N | A | -0.9358 | |
| 773 | P | A | 0.0000 | |
| 774 | P | A | -0.4379 | |
| 775 | M | A | -0.4764 | |
| 776 | N | A | -1.5269 | |
| 777 | I | A | -0.9039 | |
| 778 | I | A | 0.0000 | |
| 779 | Q | A | -0.9921 | |
| 780 | K | A | -1.3968 | |
| 781 | I | A | 0.0000 | |
| 782 | A | A | 0.0000 | |
| 783 | A | A | -0.0725 | |
| 784 | M | A | -0.2371 | |
| 785 | T | A | 0.0000 | |
| 786 | W | A | 0.3810 | |
| 787 | S | A | -0.3191 | |
| 788 | E | A | -1.3125 | |
| 789 | K | A | -2.0498 | |
| 790 | N | A | -1.9615 | |
| 791 | T | A | -1.9251 | |
| 792 | E | A | -2.7921 | |
| 793 | V | A | 0.0000 | |
| 794 | L | A | -1.8918 | |
| 795 | K | A | -2.5661 | |
| 796 | K | A | -1.7563 | |
| 797 | T | A | 0.0000 | |
| 798 | Y | A | 0.0000 | |
| 799 | T | A | -0.7093 | |
| 800 | G | A | -0.4096 | |
| 801 | F | A | 0.0000 | |
| 802 | Y | A | -0.5627 | |
| 803 | T | A | -0.5484 | |
| 804 | L | A | -0.7549 | |
| 805 | S | A | 0.0000 | |
| 806 | R | A | -1.9676 | |
| 807 | S | A | -1.0485 | |
| 808 | V | A | -0.7171 | |
| 809 | D | A | 0.0000 | |
| 810 | I | A | 0.8145 | |
| 811 | S | A | 0.2579 | |
| 812 | N | A | 0.0000 | |
| 813 | L | A | 0.5944 | |
| 814 | E | A | -1.4742 | |
| 815 | D | A | -1.2248 | |
| 816 | T | A | -0.9450 | |
| 817 | S | A | -1.2010 | |
| 818 | P | A | -1.4628 | |
| 819 | E | A | -2.2425 | |
| 820 | S | A | 0.0000 | |
| 821 | T | A | -0.8801 | |
| 822 | L | A | 0.0000 | |
| 823 | A | A | 0.0000 | |
| 824 | K | A | -0.0666 | |
| 825 | K | A | -0.2313 | |
| 826 | T | A | 0.0000 | |
| 827 | Q | A | 0.0999 | |
| 828 | L | A | 1.3804 | |
| 829 | V | A | 0.0000 | |
| 830 | V | A | 0.0000 | |
| 831 | P | A | 0.1143 | |
| 832 | L | A | 0.7490 | |
| 833 | M | A | 0.0000 | |
| 834 | R | A | -1.6215 | |
| 835 | K | A | -2.2072 | |
| 836 | T | A | 0.0000 | |
| 837 | S | A | -0.9612 | |
| 838 | G | A | -0.5295 | |
| 839 | V | A | -0.0490 | |
| 840 | L | A | 0.7160 | |
| 841 | Q | A | -0.8541 | |
| 842 | G | A | -0.8897 | |
| 843 | G | A | -0.7910 | |
| 844 | S | A | -0.6699 | |
| 845 | G | A | -0.5996 | |
| 846 | V | A | 0.9030 | |
| 847 | E | A | -0.0903 | |
| 848 | M | A | 1.2012 | |
| 849 | V | A | 1.3382 | |
| 850 | S | A | -0.6085 | |
| 851 | K | A | -2.2816 | |
| 852 | G | A | -2.8082 | |
| 853 | E | A | -3.5761 | |
| 854 | E | A | -3.5427 | |
| 855 | D | A | -2.7883 | |
| 856 | N | A | -1.6430 | |
| 857 | M | A | -0.5587 | |
| 858 | A | A | -0.8680 | |
| 859 | I | A | -0.3689 | |
| 860 | I | A | 0.0000 | |
| 861 | K | A | -2.3028 | |
| 862 | E | A | -2.3142 | |
| 863 | F | A | -1.1055 | |
| 864 | M | A | 0.0000 | |
| 865 | R | A | -3.2352 | |
| 866 | F | A | 0.0000 | |
| 867 | K | A | -3.4545 | |
| 868 | V | A | 0.0000 | |
| 869 | H | A | -2.1045 | |
| 870 | M | A | 0.0000 | |
| 871 | E | A | -2.5964 | |
| 872 | G | A | 0.0000 | |
| 873 | S | A | 0.0000 | |
| 874 | V | A | 0.0000 | |
| 875 | N | A | 0.0000 | |
| 876 | G | A | -1.3693 | |
| 877 | H | A | -1.3220 | |
| 878 | E | A | -2.5462 | |
| 879 | F | A | 0.0000 | |
| 880 | E | A | -2.6117 | |
| 881 | I | A | 0.0000 | |
| 882 | E | A | -2.9485 | |
| 883 | G | A | 0.0000 | |
| 884 | E | A | -3.8258 | |
| 885 | G | A | 0.0000 | |
| 886 | E | A | -2.4915 | |
| 887 | G | A | 0.0000 | |
| 888 | R | A | -2.2317 | |
| 889 | P | A | 0.0000 | |
| 890 | Y | A | -1.2856 | |
| 891 | E | A | -2.0911 | |
| 892 | G | A | 0.0000 | |
| 893 | T | A | -0.9857 | |
| 894 | Q | A | 0.0000 | |
| 895 | T | A | -1.1270 | |
| 896 | A | A | 0.0000 | |
| 897 | K | A | -2.4197 | |
| 898 | L | A | 0.0000 | |
| 899 | K | A | -2.0884 | |
| 900 | V | A | 0.0000 | |
| 901 | T | A | -1.5888 | |
| 902 | K | A | -2.3799 | |
| 903 | G | A | -1.4817 | |
| 904 | G | A | -1.4438 | |
| 905 | P | A | -1.0415 | |
| 906 | L | A | 0.0000 | |
| 907 | P | A | -0.6256 | |
| 908 | F | A | 0.0000 | |
| 909 | A | A | 0.0000 | |
| 910 | W | A | 0.0000 | |
| 911 | D | A | 0.0000 | |
| 912 | I | A | 0.0000 | |
| 913 | L | A | 0.0000 | |
| 914 | S | A | 0.0000 | |
| 915 | P | A | 0.0000 | |
| 916 | Q | A | 0.0000 | |
| 917 | F | A | 0.0000 | |
| 918 | M | A | 0.0000 | |
| 919 | Y | A | 0.0000 | |
| 920 | G | A | 0.0000 | |
| 921 | S | A | 0.0000 | |
| 922 | K | A | 0.0000 | |
| 923 | A | A | 0.0000 | |
| 924 | Y | A | 0.0000 | |
| 925 | V | A | 0.0000 | |
| 926 | K | A | -1.3996 | |
| 927 | H | A | -1.1323 | |
| 928 | P | A | -0.9861 | |
| 929 | A | A | -0.9859 | |
| 930 | D | A | -2.0223 | |
| 931 | I | A | 0.0000 | |
| 932 | P | A | -0.8294 | |
| 933 | D | A | -0.5001 | |
| 934 | Y | A | 0.0000 | |
| 935 | L | A | 0.0000 | |
| 936 | K | A | 0.0000 | |
| 937 | L | A | 0.1570 | |
| 938 | S | A | 0.0000 | |
| 939 | F | A | 0.0000 | |
| 940 | P | A | -0.5458 | |
| 941 | E | A | -0.7007 | |
| 942 | G | A | 0.0000 | |
| 943 | F | A | 0.0000 | |
| 944 | K | A | -1.1662 | |
| 945 | W | A | 0.0000 | |
| 946 | E | A | -1.1594 | |
| 947 | R | A | 0.0000 | |
| 948 | V | A | 0.0000 | |
| 949 | M | A | 0.0000 | |
| 950 | N | A | -0.8403 | |
| 951 | F | A | 0.0000 | |
| 952 | E | A | -0.7629 | |
| 953 | D | A | 0.0000 | |
| 954 | G | A | 0.0000 | |
| 955 | G | A | 0.0000 | |
| 956 | V | A | 0.0000 | |
| 957 | V | A | 0.0000 | |
| 958 | T | A | -0.6115 | |
| 959 | V | A | 0.0000 | |
| 960 | T | A | -1.1221 | |
| 961 | Q | A | 0.0000 | |
| 962 | D | A | -1.3423 | |
| 963 | S | A | 0.0000 | |
| 964 | S | A | 0.0000 | |
| 965 | L | A | -1.0364 | |
| 966 | Q | A | -1.8239 | |
| 967 | D | A | -2.4085 | |
| 968 | G | A | -2.2136 | |
| 969 | E | A | -2.4934 | |
| 970 | F | A | 0.0000 | |
| 971 | I | A | -1.4549 | |
| 972 | Y | A | 0.0000 | |
| 973 | K | A | -1.4476 | |
| 974 | V | A | 0.0000 | |
| 975 | K | A | -2.3307 | |
| 976 | L | A | 0.0000 | |
| 977 | R | A | -1.3076 | |
| 978 | G | A | 0.0000 | |
| 979 | T | A | -0.1735 | |
| 980 | N | A | 0.0000 | |
| 981 | F | A | 0.0000 | |
| 982 | P | A | 0.0000 | |
| 983 | S | A | 0.0000 | |
| 984 | D | A | -1.1684 | |
| 985 | G | A | 0.0000 | |
| 986 | P | A | -1.3861 | |
| 987 | V | A | 0.0000 | |
| 988 | M | A | -0.9254 | |
| 989 | Q | A | -1.9238 | |
| 990 | K | A | -1.8572 | |
| 991 | K | A | -2.1083 | |
| 992 | T | A | -1.2547 | |
| 993 | M | A | -0.4037 | |
| 994 | G | A | -0.3928 | |
| 995 | W | A | 0.0000 | |
| 996 | E | A | -1.3553 | |
| 997 | A | A | -0.5917 | |
| 998 | S | A | -0.8916 | |
| 999 | S | A | -1.0017 | |
| 1000 | E | A | 0.0000 | |
| 1001 | R | A | -1.8770 | |
| 1002 | M | A | 0.0000 | |
| 1003 | Y | A | -0.8326 | |
| 1004 | P | A | -1.2118 | |
| 1005 | E | A | -2.1745 | |
| 1006 | D | A | -2.5210 | |
| 1007 | G | A | -1.7075 | |
| 1008 | A | A | 0.0000 | |
| 1009 | L | A | 0.0000 | |
| 1010 | K | A | -1.2604 | |
| 1011 | G | A | 0.0000 | |
| 1012 | E | A | -1.5972 | |
| 1013 | I | A | 0.0000 | |
| 1014 | K | A | -2.3252 | |
| 1015 | Q | A | 0.0000 | |
| 1016 | R | A | -2.1015 | |
| 1017 | L | A | 0.0000 | |
| 1018 | K | A | -1.7156 | |
| 1019 | L | A | 0.0000 | |
| 1020 | K | A | -2.9616 | |
| 1021 | D | A | -3.0037 | |
| 1022 | G | A | -2.0250 | |
| 1023 | G | A | -1.6705 | |
| 1024 | H | A | -1.5490 | |
| 1025 | Y | A | 0.0000 | |
| 1026 | D | A | -1.5260 | |
| 1027 | A | A | 0.0000 | |
| 1028 | E | A | -2.0582 | |
| 1029 | V | A | 0.0000 | |
| 1030 | K | A | 0.0000 | |
| 1031 | T | A | 0.0000 | |
| 1032 | T | A | -0.9344 | |
| 1033 | Y | A | 0.0000 | |
| 1034 | K | A | -1.3562 | |
| 1035 | A | A | 0.0000 | |
| 1036 | K | A | -1.1500 | |
| 1037 | K | A | -0.9170 | |
| 1038 | P | A | -0.6829 | |
| 1039 | V | A | -0.5688 | |
| 1040 | Q | A | -1.1070 | |
| 1041 | L | A | -0.7278 | |
| 1042 | P | A | 0.0000 | |
| 1043 | G | A | -0.9212 | |
| 1044 | A | A | -0.7805 | |
| 1045 | Y | A | 0.0000 | |
| 1046 | N | A | -1.3018 | |
| 1047 | V | A | 0.0000 | |
| 1048 | N | A | 0.0000 | |
| 1049 | I | A | 0.0000 | |
| 1050 | K | A | -0.6084 | |
| 1051 | L | A | 0.0000 | |
| 1052 | D | A | -0.4756 | |
| 1053 | I | A | 0.0640 | |
| 1054 | T | A | -0.3690 | |
| 1055 | S | A | -0.8617 | |
| 1056 | H | A | -1.5748 | |
| 1057 | N | A | -1.7175 | |
| 1058 | E | A | -2.4756 | |
| 1059 | D | A | -1.8887 | |
| 1060 | Y | A | -1.0591 | |
| 1061 | T | A | -1.0140 | |
| 1062 | I | A | -1.0151 | |
| 1063 | V | A | 0.0000 | |
| 1064 | E | A | -1.2669 | |
| 1065 | Q | A | 0.0000 | |
| 1066 | Y | A | -0.1045 | |
| 1067 | E | A | 0.0000 | |
| 1068 | R | A | -1.0609 | |
| 1069 | A | A | 0.0000 | |
| 1070 | E | A | -0.9338 | |
| 1071 | G | A | 0.0000 | |
| 1072 | R | A | -1.4931 | |
| 1073 | H | A | -1.5953 | |
| 1074 | S | A | -1.0948 | |
| 1075 | T | A | -0.7187 | |
| 1076 | G | A | -1.3047 | |
| 1077 | G | A | -1.5367 | |
| 1078 | M | A | -1.2716 | |
| 1079 | D | A | -2.6500 | |
| 1080 | E | A | -2.8159 | |
| 1081 | L | A | -1.4174 | |
| 1082 | Y | A | -0.7349 | |
| 1083 | K | A | -2.3541 | |
| 1084 | G | A | -1.5604 | |
| 1085 | G | A | -0.7654 | |
| 1086 | S | A | -0.7749 | |
| 1087 | G | A | -0.8262 | |
| 1088 | V | A | 0.1064 | |
| 1089 | E | A | -2.0518 | |
| 1090 | H | A | -2.3732 | |
| 1091 | H | A | -2.6962 | |
| 1092 | H | A | -2.9244 | |
| 1093 | H | A | -2.6868 | |
| 1094 | H | A | -2.3609 | |
| 1095 | H | A | -1.8936 |
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 | -0.6786 | 3.3194 | View | CSV | PDB |
| 4.5 | -0.7434 | 3.3202 | View | CSV | PDB |
| 5.0 | -0.8232 | 3.3226 | View | CSV | PDB |
| 5.5 | -0.9003 | 3.3296 | View | CSV | PDB |
| 6.0 | -0.9554 | 3.3465 | View | CSV | PDB |
| 6.5 | -0.9763 | 3.3775 | View | CSV | PDB |
| 7.0 | -0.9647 | 3.4202 | View | CSV | PDB |
| 7.5 | -0.9331 | 3.469 | View | CSV | PDB |
| 8.0 | -0.8917 | 3.52 | View | CSV | PDB |
| 8.5 | -0.8442 | 3.5716 | View | CSV | PDB |
| 9.0 | -0.7913 | 3.6231 | 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