| Chain sequence(s) |
A: HHHHHHMSDQEAKPSTEDLGDKEEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLTFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQKWSLNFKKALVALFQTKMETSTLDNKMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKNIDSCKKSAVYTFMKPAVKAKKCNSFKCLSNTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTEKIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEMVSKGEEDNMAIIKEFMRFKVHMEGSVNGHEFEIEGEGEGRPYEGTQTAKLKVTKGGPLPFAWDILSPQFMYGSKAYVKHPADIPDYLKLSFPEGFKWERVMNFEDGGVVTVTQDSSLQDGEFIYKVKLRGTNFPSDGPVMQKKTMGWEASSERMYPEDGALKGEIKQRLKLKDGGHYDAEVKTTYKAKKPVQLPGAYNVNIKLDITSHNEDYTIVEQYERAEGRHSTGGMDELYKGGSGVEHHHHHH
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 (00:41:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6138b55943511bd/tmp/folded.pdb (00:41:39)
[INFO] Main: Simulation completed successfully. (00:58:44)
|
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 | -1.8452 | |
| 2 | H | A | -2.3472 | |
| 3 | H | A | -2.6192 | |
| 4 | H | A | -2.4683 | |
| 5 | H | A | -2.0817 | |
| 6 | H | A | -1.6662 | |
| 7 | M | A | -0.5719 | |
| 8 | S | A | -1.5947 | |
| 9 | D | A | -2.8724 | |
| 10 | Q | A | -3.0987 | |
| 11 | E | A | -3.4774 | |
| 12 | A | A | -2.3689 | |
| 13 | K | A | -2.5807 | |
| 14 | P | A | -1.7510 | |
| 15 | S | A | -1.6242 | |
| 16 | T | A | -1.6707 | |
| 17 | E | A | -2.4632 | |
| 18 | D | A | -2.3893 | |
| 19 | L | A | -0.8446 | |
| 20 | G | A | -2.1688 | |
| 21 | D | A | -3.5628 | |
| 22 | K | A | -3.9157 | |
| 23 | E | A | -4.5062 | |
| 24 | E | A | -4.0291 | |
| 25 | G | A | -2.8257 | |
| 26 | E | A | -2.9791 | |
| 27 | Y | A | -1.5049 | |
| 28 | I | A | 0.0000 | |
| 29 | K | A | -3.3724 | |
| 30 | L | A | 0.0000 | |
| 31 | K | A | -2.1870 | |
| 32 | V | A | 0.0000 | |
| 33 | I | A | -1.2692 | |
| 34 | G | A | 0.0000 | |
| 35 | Q | A | -2.4852 | |
| 36 | D | A | -2.6261 | |
| 37 | S | A | -1.9417 | |
| 38 | S | A | -1.7377 | |
| 39 | E | A | -2.2896 | |
| 40 | I | A | -1.1014 | |
| 41 | H | A | -2.0496 | |
| 42 | F | A | -1.8201 | |
| 43 | K | A | -2.7211 | |
| 44 | V | A | 0.0000 | |
| 45 | K | A | -1.7859 | |
| 46 | M | A | -2.2478 | |
| 47 | T | A | -1.5378 | |
| 48 | T | A | -1.4310 | |
| 49 | H | A | -2.8112 | |
| 50 | L | A | 0.0000 | |
| 51 | K | A | -3.2888 | |
| 52 | K | A | -3.3508 | |
| 53 | L | A | 0.0000 | |
| 54 | K | A | -2.6521 | |
| 55 | E | A | -3.6184 | |
| 56 | S | A | -2.5867 | |
| 57 | Y | A | 0.0000 | |
| 58 | C | A | 0.0000 | |
| 59 | Q | A | -2.9212 | |
| 60 | R | A | -3.0728 | |
| 61 | Q | A | -2.2668 | |
| 62 | G | A | -1.6338 | |
| 63 | V | A | -1.2037 | |
| 64 | P | A | -1.0309 | |
| 65 | M | A | -1.4957 | |
| 66 | N | A | -1.8022 | |
| 67 | S | A | -1.3051 | |
| 68 | L | A | 0.0000 | |
| 69 | T | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | L | A | -1.6058 | |
| 72 | F | A | 0.0000 | |
| 73 | E | A | -2.6376 | |
| 74 | G | A | -2.4377 | |
| 75 | Q | A | -2.8719 | |
| 76 | R | A | -2.9226 | |
| 77 | I | A | 0.0000 | |
| 78 | A | A | -1.7629 | |
| 79 | D | A | -2.8217 | |
| 80 | N | A | -2.6969 | |
| 81 | H | A | -2.4547 | |
| 82 | T | A | -2.2936 | |
| 83 | P | A | 0.0000 | |
| 84 | K | A | -3.3291 | |
| 85 | E | A | -2.9445 | |
| 86 | L | A | -2.0041 | |
| 87 | G | A | -1.9652 | |
| 88 | M | A | 0.0000 | |
| 89 | E | A | -3.3341 | |
| 90 | E | A | -3.8079 | |
| 91 | E | A | -3.6995 | |
| 92 | D | A | -2.5175 | |
| 93 | V | A | -1.1263 | |
| 94 | I | A | 0.0000 | |
| 95 | E | A | -1.7600 | |
| 96 | V | A | 0.0000 | |
| 97 | Y | A | -1.0216 | |
| 98 | Q | A | -1.9165 | |
| 99 | E | A | -1.9513 | |
| 100 | Q | A | -2.3704 | |
| 101 | T | A | -1.9001 | |
| 102 | G | A | -1.9435 | |
| 103 | G | A | -2.2739 | |
| 104 | H | A | -2.0988 | |
| 105 | S | A | -1.5509 | |
| 106 | T | A | -0.8024 | |
| 107 | V | A | -0.1856 | |
| 108 | W | A | 0.0000 | |
| 109 | Q | A | -0.8837 | |
| 110 | A | A | -0.7665 | |
| 111 | G | A | -1.0544 | |
| 112 | K | A | -1.0295 | |
| 113 | E | A | 0.0000 | |
| 114 | H | A | 0.0000 | |
| 115 | I | A | -0.5884 | |
| 116 | F | A | 0.0000 | |
| 117 | H | A | -1.1618 | |
| 118 | Y | A | 0.0000 | |
| 119 | T | A | -0.4163 | |
| 120 | G | A | -0.0440 | |
| 121 | R | A | 0.0058 | |
| 122 | L | A | 0.4917 | |
| 123 | L | A | 0.0000 | |
| 124 | S | A | 0.0911 | |
| 125 | G | A | -0.3654 | |
| 126 | I | A | 0.1152 | |
| 127 | P | A | -0.5136 | |
| 128 | G | A | -0.5285 | |
| 129 | L | A | -0.3581 | |
| 130 | R | A | -1.8567 | |
| 131 | P | A | -1.3563 | |
| 132 | H | A | -1.7518 | |
| 133 | F | A | 0.0000 | |
| 134 | S | A | -0.9805 | |
| 135 | G | A | -0.3652 | |
| 136 | I | A | 0.1053 | |
| 137 | G | A | 0.0000 | |
| 138 | I | A | 0.1006 | |
| 139 | E | A | -0.7613 | |
| 140 | T | A | 0.0000 | |
| 141 | E | A | -1.5347 | |
| 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 | -1.6969 | |
| 148 | S | A | -1.2847 | |
| 149 | L | A | -1.4191 | |
| 150 | E | A | -2.2603 | |
| 151 | D | A | -1.4812 | |
| 152 | I | A | 0.0000 | |
| 153 | R | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | N | A | -0.7694 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -2.0761 | |
| 158 | Q | A | -2.3057 | |
| 159 | V | A | 0.0000 | |
| 160 | N | A | -1.1559 | |
| 161 | Y | A | -0.3460 | |
| 162 | T | A | 0.0000 | |
| 163 | Q | A | -1.2241 | |
| 164 | V | A | 0.0000 | |
| 165 | N | A | -1.8425 | |
| 166 | G | A | -1.5427 | |
| 167 | P | A | -1.3975 | |
| 168 | L | A | 0.0000 | |
| 169 | S | A | -0.0246 | |
| 170 | P | A | -0.0917 | |
| 171 | G | A | 0.1278 | |
| 172 | L | A | -0.1498 | |
| 173 | P | A | -0.4724 | |
| 174 | H | A | -0.7896 | |
| 175 | V | A | -0.2784 | |
| 176 | T | A | -0.3157 | |
| 177 | S | A | -0.3373 | |
| 178 | S | A | -0.2096 | |
| 179 | Y | A | 0.1734 | |
| 180 | E | A | -1.2953 | |
| 181 | G | A | 0.0000 | |
| 182 | S | A | -0.7445 | |
| 183 | N | A | -0.8704 | |
| 184 | W | A | 0.0000 | |
| 185 | R | A | -0.3834 | |
| 186 | Y | A | 0.2225 | |
| 187 | V | A | 0.0000 | |
| 188 | L | A | 1.3853 | |
| 189 | L | A | 0.5290 | |
| 190 | P | A | -0.2301 | |
| 191 | Q | A | -0.8537 | |
| 192 | F | A | -0.4328 | |
| 193 | T | A | -0.8399 | |
| 194 | Q | A | -1.0910 | |
| 195 | A | A | 0.0000 | |
| 196 | P | A | -0.1579 | |
| 197 | I | A | 0.5454 | |
| 198 | D | A | -1.4046 | |
| 199 | I | A | -0.7623 | |
| 200 | K | A | -1.6437 | |
| 201 | K | A | -2.1661 | |
| 202 | L | A | -1.2121 | |
| 203 | L | A | 0.0000 | |
| 204 | K | A | -2.5925 | |
| 205 | V | A | -1.1327 | |
| 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 | -2.3144 | |
| 213 | D | A | -3.0691 | |
| 214 | G | A | 0.0000 | |
| 215 | E | A | -1.8870 | |
| 216 | I | A | 0.0000 | |
| 217 | K | A | -2.7496 | |
| 218 | T | A | -2.1181 | |
| 219 | I | A | 0.0000 | |
| 220 | T | A | -1.0298 | |
| 221 | V | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | G | A | -1.4173 | |
| 224 | T | A | -0.9663 | |
| 225 | E | A | 0.0000 | |
| 226 | Q | A | -0.8004 | |
| 227 | K | A | -0.0833 | |
| 228 | W | A | 0.5795 | |
| 229 | S | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | N | A | 0.2360 | |
| 232 | F | A | 0.3998 | |
| 233 | K | A | 0.0000 | |
| 234 | K | A | 0.0000 | |
| 235 | A | A | 0.1577 | |
| 236 | L | A | 0.0000 | |
| 237 | V | A | 0.0000 | |
| 238 | A | A | -0.0020 | |
| 239 | L | A | 0.0000 | |
| 240 | F | A | 0.0000 | |
| 241 | Q | A | 0.0000 | |
| 242 | T | A | -0.7599 | |
| 243 | K | A | -1.5073 | |
| 244 | M | A | -1.4487 | |
| 245 | E | A | -2.4475 | |
| 246 | T | A | -1.3112 | |
| 247 | S | A | -0.7244 | |
| 248 | T | A | -0.3622 | |
| 249 | L | A | -0.0355 | |
| 250 | D | A | -1.9977 | |
| 251 | N | A | -2.1641 | |
| 252 | K | A | -2.4856 | |
| 253 | M | A | -1.1464 | |
| 254 | N | A | -0.7615 | |
| 255 | T | A | 0.2014 | |
| 256 | I | A | 1.8818 | |
| 257 | V | A | 0.6452 | |
| 258 | K | A | -1.4793 | |
| 259 | D | A | -2.5367 | |
| 260 | S | A | -2.1391 | |
| 261 | D | A | -2.7753 | |
| 262 | S | A | -2.0131 | |
| 263 | T | A | -1.7876 | |
| 264 | K | A | -2.1813 | |
| 265 | N | A | -1.7879 | |
| 266 | Y | A | -1.0918 | |
| 267 | W | A | 0.0000 | |
| 268 | K | A | -1.3108 | |
| 269 | V | A | 0.0000 | |
| 270 | S | A | -0.7879 | |
| 271 | E | A | 0.0000 | |
| 272 | E | A | -1.2368 | |
| 273 | T | A | 0.0000 | |
| 274 | I | A | 0.0642 | |
| 275 | E | A | -0.2268 | |
| 276 | G | A | 0.0000 | |
| 277 | V | A | -1.0492 | |
| 278 | C | A | 0.0000 | |
| 279 | D | A | -1.5738 | |
| 280 | V | A | 0.0000 | |
| 281 | I | A | -0.6254 | |
| 282 | Y | A | 0.0000 | |
| 283 | Q | A | -1.0138 | |
| 284 | V | A | 0.0000 | |
| 285 | N | A | -1.7576 | |
| 286 | E | A | -2.6116 | |
| 287 | L | A | -1.6064 | |
| 288 | P | A | -1.4946 | |
| 289 | E | A | -2.5665 | |
| 290 | Y | A | -0.5779 | |
| 291 | I | A | -1.0559 | |
| 292 | V | A | 0.0000 | |
| 293 | K | A | -2.8702 | |
| 294 | E | A | -3.0349 | |
| 295 | R | A | -2.5582 | |
| 296 | A | A | -2.0053 | |
| 297 | H | A | -1.8198 | |
| 298 | Y | A | -1.1151 | |
| 299 | F | A | 0.0000 | |
| 300 | P | A | -1.0747 | |
| 301 | H | A | -1.1541 | |
| 302 | L | A | -1.1264 | |
| 303 | E | A | -1.9121 | |
| 304 | A | A | -0.9784 | |
| 305 | C | A | 0.0000 | |
| 306 | T | A | -1.1326 | |
| 307 | S | A | -1.2681 | |
| 308 | K | A | -2.7375 | |
| 309 | K | A | -2.5791 | |
| 310 | F | A | 0.0000 | |
| 311 | Y | A | 0.0000 | |
| 312 | E | A | -0.9459 | |
| 313 | I | A | 0.0000 | |
| 314 | T | A | -0.3455 | |
| 315 | K | A | 0.0000 | |
| 316 | T | A | -0.6231 | |
| 317 | K | A | -1.1230 | |
| 318 | N | A | -1.6466 | |
| 319 | I | A | 0.0000 | |
| 320 | D | A | -2.2961 | |
| 321 | S | A | -1.8538 | |
| 322 | C | A | 0.0000 | |
| 323 | K | A | -2.7969 | |
| 324 | K | A | -2.6259 | |
| 325 | S | A | -1.2098 | |
| 326 | A | A | 0.0165 | |
| 327 | V | A | 0.8620 | |
| 328 | Y | A | 1.4796 | |
| 329 | T | A | 0.9322 | |
| 330 | F | A | 0.5250 | |
| 331 | M | A | -0.1374 | |
| 332 | K | A | -0.4031 | |
| 333 | P | A | -0.1210 | |
| 334 | A | A | -0.3868 | |
| 335 | V | A | 0.2653 | |
| 336 | K | A | -1.6939 | |
| 337 | A | A | 0.0000 | |
| 338 | K | A | -2.7732 | |
| 339 | K | A | -3.2674 | |
| 340 | C | A | -2.1014 | |
| 341 | N | A | -2.1813 | |
| 342 | S | A | -1.8664 | |
| 343 | F | A | 0.0000 | |
| 344 | K | A | -2.6652 | |
| 345 | C | A | -2.1061 | |
| 346 | L | A | 0.0000 | |
| 347 | S | A | -1.3208 | |
| 348 | N | A | -1.7356 | |
| 349 | T | A | -0.8503 | |
| 350 | F | A | 0.0076 | |
| 351 | G | A | -0.3354 | |
| 352 | S | A | -0.7101 | |
| 353 | A | A | -0.5328 | |
| 354 | S | A | -0.5544 | |
| 355 | S | A | -0.4798 | |
| 356 | M | A | -0.3417 | |
| 357 | T | A | 0.0000 | |
| 358 | R | A | -0.4209 | |
| 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 | -1.0563 | |
| 365 | R | A | -0.9291 | |
| 366 | S | A | -1.1674 | |
| 367 | N | A | -0.9897 | |
| 368 | W | A | 0.0000 | |
| 369 | I | A | 0.1477 | |
| 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 | -0.4340 | |
| 376 | E | A | -0.6654 | |
| 377 | G | A | -0.3413 | |
| 378 | E | A | -0.2094 | |
| 379 | I | A | 0.3739 | |
| 380 | V | A | 0.2575 | |
| 381 | Q | A | 0.0003 | |
| 382 | R | A | -0.4375 | |
| 383 | P | A | -0.1097 | |
| 384 | V | A | 0.5880 | |
| 385 | G | A | 0.3704 | |
| 386 | V | A | 0.8149 | |
| 387 | K | A | -0.9932 | |
| 388 | S | A | -0.5673 | |
| 389 | E | A | -0.4699 | |
| 390 | T | A | 0.0076 | |
| 391 | I | A | 0.5280 | |
| 392 | T | A | 0.0000 | |
| 393 | T | A | 0.3953 | |
| 394 | G | A | 0.0000 | |
| 395 | T | A | -0.1192 | |
| 396 | R | A | -0.5089 | |
| 397 | Q | A | 0.0000 | |
| 398 | V | A | 0.0000 | |
| 399 | L | A | 0.0000 | |
| 400 | K | A | -1.2706 | |
| 401 | L | A | 0.0000 | |
| 402 | R | A | -2.0293 | |
| 403 | T | A | -0.8170 | |
| 404 | I | A | -0.0627 | |
| 405 | Q | A | -0.5903 | |
| 406 | P | A | -0.6119 | |
| 407 | I | A | -0.8002 | |
| 408 | S | A | -0.8229 | |
| 409 | S | A | -1.1659 | |
| 410 | E | A | -2.2005 | |
| 411 | V | A | 0.0000 | |
| 412 | P | A | -1.2917 | |
| 413 | K | A | -1.6681 | |
| 414 | P | A | 0.0000 | |
| 415 | P | A | -1.3501 | |
| 416 | Q | A | -1.9333 | |
| 417 | P | A | -1.6821 | |
| 418 | R | A | -1.4744 | |
| 419 | T | A | -1.1906 | |
| 420 | T | A | -1.7818 | |
| 421 | E | A | -2.9086 | |
| 422 | K | A | -2.4615 | |
| 423 | I | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | Y | A | 0.3562 | |
| 426 | E | A | 0.2778 | |
| 427 | Y | A | 1.2728 | |
| 428 | I | A | 0.5937 | |
| 429 | N | A | -0.9492 | |
| 430 | A | A | -0.7765 | |
| 431 | G | A | -1.5374 | |
| 432 | Q | A | -1.6734 | |
| 433 | V | A | -1.0101 | |
| 434 | S | A | -1.7162 | |
| 435 | R | A | -2.9019 | |
| 436 | Q | A | -2.4776 | |
| 437 | Q | A | -1.8755 | |
| 438 | I | A | -0.3432 | |
| 439 | G | A | 0.0012 | |
| 440 | I | A | 1.0314 | |
| 441 | I | A | 1.9808 | |
| 442 | P | A | -0.2074 | |
| 443 | K | A | -1.3256 | |
| 444 | I | A | 0.0000 | |
| 445 | P | A | -1.4281 | |
| 446 | Q | A | -1.6716 | |
| 447 | S | A | -1.5056 | |
| 448 | E | A | -1.8063 | |
| 449 | L | A | 0.0000 | |
| 450 | K | A | -2.4548 | |
| 451 | S | A | -1.5141 | |
| 452 | G | A | 0.0000 | |
| 453 | E | A | -1.1362 | |
| 454 | I | A | 0.0000 | |
| 455 | Y | A | -0.4907 | |
| 456 | K | A | -1.3748 | |
| 457 | Y | A | 0.2158 | |
| 458 | L | A | 0.0000 | |
| 459 | P | A | -0.9056 | |
| 460 | R | A | -2.0143 | |
| 461 | H | A | -1.8149 | |
| 462 | F | A | 0.0000 | |
| 463 | N | A | -2.0376 | |
| 464 | P | A | -1.3589 | |
| 465 | A | A | -0.5571 | |
| 466 | P | A | -0.9729 | |
| 467 | S | A | -0.6393 | |
| 468 | S | A | -1.1328 | |
| 469 | T | A | -1.4001 | |
| 470 | E | A | -2.8441 | |
| 471 | S | A | -2.5135 | |
| 472 | K | A | -3.3885 | |
| 473 | Q | A | -3.0616 | |
| 474 | H | A | -2.5771 | |
| 475 | L | A | -1.7335 | |
| 476 | S | A | -1.2256 | |
| 477 | A | A | -0.7188 | |
| 478 | T | A | -0.7777 | |
| 479 | K | A | -1.3708 | |
| 480 | I | A | 0.0000 | |
| 481 | K | A | -1.1429 | |
| 482 | A | A | -1.0538 | |
| 483 | E | A | -0.9624 | |
| 484 | L | A | 0.0000 | |
| 485 | K | A | -1.0062 | |
| 486 | S | A | -0.3509 | |
| 487 | Y | A | 0.0650 | |
| 488 | I | A | 0.0000 | |
| 489 | I | A | -0.2336 | |
| 490 | S | A | -0.5463 | |
| 491 | I | A | 0.0000 | |
| 492 | I | A | 0.0000 | |
| 493 | D | A | -1.9048 | |
| 494 | D | A | -1.3476 | |
| 495 | L | A | -0.0780 | |
| 496 | S | A | -0.8986 | |
| 497 | S | A | -0.3971 | |
| 498 | V | A | 0.6534 | |
| 499 | E | A | -1.7989 | |
| 500 | E | A | -2.5453 | |
| 501 | L | A | -0.8556 | |
| 502 | A | A | -1.3450 | |
| 503 | Q | A | -2.4045 | |
| 504 | K | A | -2.0627 | |
| 505 | E | A | -2.3283 | |
| 506 | I | A | 0.0000 | |
| 507 | P | A | -0.4541 | |
| 508 | L | A | -0.1994 | |
| 509 | R | A | -0.4526 | |
| 510 | L | A | -0.0261 | |
| 511 | T | A | 0.1438 | |
| 512 | T | A | -0.3914 | |
| 513 | F | A | 0.0000 | |
| 514 | I | A | -0.0294 | |
| 515 | R | A | -0.9978 | |
| 516 | G | A | 0.0000 | |
| 517 | M | A | 0.0000 | |
| 518 | T | A | 0.0000 | |
| 519 | L | A | 0.0000 | |
| 520 | L | A | 0.0000 | |
| 521 | K | A | -1.1278 | |
| 522 | V | A | -1.1396 | |
| 523 | E | A | -2.1496 | |
| 524 | D | A | -1.4623 | |
| 525 | I | A | 0.0000 | |
| 526 | K | A | -1.6923 | |
| 527 | S | A | -1.4978 | |
| 528 | L | A | 0.0000 | |
| 529 | Y | A | 0.0000 | |
| 530 | T | A | -1.2515 | |
| 531 | D | A | -2.0251 | |
| 532 | L | A | 0.0000 | |
| 533 | K | A | -0.8556 | |
| 534 | S | A | -0.7702 | |
| 535 | T | A | -0.5866 | |
| 536 | V | A | 0.0000 | |
| 537 | Y | A | 0.0188 | |
| 538 | S | A | -0.2023 | |
| 539 | P | A | -0.4601 | |
| 540 | A | A | -0.3972 | |
| 541 | H | A | -1.2802 | |
| 542 | S | A | -1.3761 | |
| 543 | N | A | -2.4357 | |
| 544 | Q | A | -2.6004 | |
| 545 | E | A | -2.8968 | |
| 546 | K | A | -2.0285 | |
| 547 | I | A | -1.2550 | |
| 548 | S | A | -1.2469 | |
| 549 | M | A | -0.9714 | |
| 550 | F | A | 0.0000 | |
| 551 | H | A | -0.7174 | |
| 552 | N | A | -0.6592 | |
| 553 | I | A | -0.1781 | |
| 554 | F | A | 0.0000 | |
| 555 | F | A | 0.0000 | |
| 556 | D | A | -0.3925 | |
| 557 | A | A | 0.0000 | |
| 558 | V | A | 0.0000 | |
| 559 | M | A | 0.0000 | |
| 560 | V | A | 0.2519 | |
| 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 | -0.1510 | |
| 569 | F | A | 0.0000 | |
| 570 | L | A | 0.0000 | |
| 571 | K | A | -0.9692 | |
| 572 | D | A | -1.7813 | |
| 573 | M | A | -1.4475 | |
| 574 | I | A | 0.0000 | |
| 575 | K | A | -2.5470 | |
| 576 | S | A | -1.9341 | |
| 577 | K | A | -2.4860 | |
| 578 | E | A | -1.6702 | |
| 579 | I | A | 0.0000 | |
| 580 | P | A | -0.4146 | |
| 581 | T | A | -0.0465 | |
| 582 | Y | A | 0.8605 | |
| 583 | Q | A | 0.0000 | |
| 584 | A | A | 0.0000 | |
| 585 | T | A | 0.0000 | |
| 586 | Y | A | 0.7364 | |
| 587 | L | A | 0.0000 | |
| 588 | L | A | 0.0000 | |
| 589 | M | A | 0.5437 | |
| 590 | L | A | 0.4943 | |
| 591 | L | A | 0.0000 | |
| 592 | P | A | 0.0000 | |
| 593 | H | A | -0.0013 | |
| 594 | H | A | 0.0216 | |
| 595 | I | A | 0.0000 | |
| 596 | I | A | 0.1452 | |
| 597 | T | A | 0.0000 | |
| 598 | P | A | 0.0000 | |
| 599 | T | A | 0.0000 | |
| 600 | K | A | -1.3819 | |
| 601 | E | A | -0.9302 | |
| 602 | V | A | 0.0000 | |
| 603 | F | A | 0.0000 | |
| 604 | T | A | -0.6991 | |
| 605 | S | A | 0.0000 | |
| 606 | L | A | 0.0000 | |
| 607 | L | A | -0.8783 | |
| 608 | E | A | -1.9040 | |
| 609 | I | A | 0.0000 | |
| 610 | I | A | 0.0000 | |
| 611 | Q | A | -1.8078 | |
| 612 | S | A | 0.0000 | |
| 613 | E | A | -2.2385 | |
| 614 | I | A | 0.0000 | |
| 615 | V | A | 0.0000 | |
| 616 | I | A | -0.4235 | |
| 617 | S | A | -0.5220 | |
| 618 | N | A | -0.4478 | |
| 619 | T | A | -0.2227 | |
| 620 | I | A | 0.0000 | |
| 621 | L | A | 0.0000 | |
| 622 | Y | A | 0.0000 | |
| 623 | N | A | 0.0000 | |
| 624 | T | A | 0.2727 | |
| 625 | A | A | 0.0000 | |
| 626 | I | A | 0.0000 | |
| 627 | L | A | 0.4407 | |
| 628 | S | A | 0.0000 | |
| 629 | M | A | 0.0000 | |
| 630 | S | A | 0.0000 | |
| 631 | N | A | -0.6141 | |
| 632 | L | A | 0.0000 | |
| 633 | V | A | 0.0000 | |
| 634 | E | A | -1.0969 | |
| 635 | K | A | -1.3862 | |
| 636 | T | A | 0.0000 | |
| 637 | C | A | 0.0000 | |
| 638 | L | A | 0.0000 | |
| 639 | D | A | -2.1524 | |
| 640 | K | A | -2.2580 | |
| 641 | S | A | -2.1105 | |
| 642 | R | A | -1.7391 | |
| 643 | Q | A | -1.6054 | |
| 644 | V | A | -0.0848 | |
| 645 | S | A | -0.6010 | |
| 646 | Y | A | 0.0000 | |
| 647 | P | A | -0.0591 | |
| 648 | T | A | -0.6827 | |
| 649 | A | A | -0.3140 | |
| 650 | V | A | 0.3968 | |
| 651 | F | A | 0.0000 | |
| 652 | G | A | -1.2077 | |
| 653 | Q | A | -1.5060 | |
| 654 | F | A | 0.0000 | |
| 655 | C | A | 0.0000 | |
| 656 | D | A | -1.5112 | |
| 657 | A | A | -1.3727 | |
| 658 | Q | A | -2.0133 | |
| 659 | S | A | -2.1655 | |
| 660 | E | A | -3.2818 | |
| 661 | I | A | 0.0000 | |
| 662 | V | A | 0.0000 | |
| 663 | T | A | -2.5135 | |
| 664 | E | A | -3.3795 | |
| 665 | K | A | -2.7926 | |
| 666 | W | A | 0.0000 | |
| 667 | I | A | 0.0000 | |
| 668 | P | A | -1.6073 | |
| 669 | Y | A | -1.1203 | |
| 670 | L | A | 0.0000 | |
| 671 | T | A | -1.2784 | |
| 672 | K | A | -2.0801 | |
| 673 | A | A | 0.0000 | |
| 674 | V | A | 0.0000 | |
| 675 | Q | A | -1.6835 | |
| 676 | T | A | -1.1769 | |
| 677 | A | A | 0.0000 | |
| 678 | P | A | -0.7343 | |
| 679 | T | A | -0.3950 | |
| 680 | A | A | -0.3708 | |
| 681 | D | A | -0.8585 | |
| 682 | R | A | -0.5015 | |
| 683 | R | A | 0.0000 | |
| 684 | N | A | -0.1307 | |
| 685 | A | A | 0.0000 | |
| 686 | I | A | 0.0000 | |
| 687 | I | A | 0.0000 | |
| 688 | M | A | 0.6906 | |
| 689 | A | A | 0.0000 | |
| 690 | L | A | 0.0000 | |
| 691 | G | A | 0.0000 | |
| 692 | A | A | -0.0971 | |
| 693 | L | A | 0.0000 | |
| 694 | K | A | -1.0588 | |
| 695 | H | A | 0.0000 | |
| 696 | K | A | -1.7986 | |
| 697 | D | A | -1.8289 | |
| 698 | I | A | 0.0000 | |
| 699 | I | A | 0.0000 | |
| 700 | P | A | -0.5960 | |
| 701 | A | A | 0.0000 | |
| 702 | L | A | 0.0000 | |
| 703 | L | A | -0.3170 | |
| 704 | P | A | -1.0380 | |
| 705 | L | A | 0.0000 | |
| 706 | V | A | 0.0000 | |
| 707 | E | A | -2.1611 | |
| 708 | G | A | -1.5579 | |
| 709 | H | A | -1.3893 | |
| 710 | G | A | 0.0000 | |
| 711 | P | A | -0.6994 | |
| 712 | I | A | -0.0493 | |
| 713 | E | A | -1.7146 | |
| 714 | Q | A | -1.8419 | |
| 715 | G | A | -1.2418 | |
| 716 | S | A | -0.5979 | |
| 717 | G | A | -0.0851 | |
| 718 | V | A | 1.2795 | |
| 719 | A | A | 0.4841 | |
| 720 | F | A | 0.0000 | |
| 721 | P | A | -0.1472 | |
| 722 | N | A | -1.4328 | |
| 723 | I | A | -0.2978 | |
| 724 | S | A | 0.0000 | |
| 725 | R | A | -1.0655 | |
| 726 | T | A | 0.0000 | |
| 727 | L | A | 0.3890 | |
| 728 | S | A | 0.0000 | |
| 729 | I | A | 0.0000 | |
| 730 | Y | A | 0.5017 | |
| 731 | A | A | 0.0000 | |
| 732 | I | A | 0.0000 | |
| 733 | G | A | 0.0000 | |
| 734 | N | A | -0.6268 | |
| 735 | V | A | 0.0000 | |
| 736 | R | A | -1.3133 | |
| 737 | V | A | -0.2911 | |
| 738 | H | A | -1.0566 | |
| 739 | H | A | -1.1820 | |
| 740 | P | A | -1.3239 | |
| 741 | E | A | -1.7877 | |
| 742 | L | A | -0.6036 | |
| 743 | V | A | 0.0000 | |
| 744 | L | A | -0.3437 | |
| 745 | P | A | -0.1810 | |
| 746 | I | A | 0.1987 | |
| 747 | I | A | 0.0000 | |
| 748 | L | A | -0.0101 | |
| 749 | S | A | -0.2583 | |
| 750 | V | A | -0.4892 | |
| 751 | Y | A | 0.0000 | |
| 752 | S | A | -0.5630 | |
| 753 | N | A | -0.9587 | |
| 754 | P | A | -1.1401 | |
| 755 | A | A | -0.5746 | |
| 756 | E | A | -1.2118 | |
| 757 | N | A | -1.4650 | |
| 758 | T | A | -1.4972 | |
| 759 | Q | A | -1.5965 | |
| 760 | L | A | 0.0000 | |
| 761 | R | A | 0.0000 | |
| 762 | I | A | -0.8722 | |
| 763 | A | A | 0.0000 | |
| 764 | A | A | 0.0000 | |
| 765 | F | A | 0.0000 | |
| 766 | N | A | -0.7304 | |
| 767 | M | A | -0.5096 | |
| 768 | L | A | 0.0000 | |
| 769 | V | A | -0.7794 | |
| 770 | N | A | -1.6611 | |
| 771 | M | A | -0.7943 | |
| 772 | N | A | -0.9697 | |
| 773 | P | A | 0.0000 | |
| 774 | P | A | -0.4998 | |
| 775 | M | A | -0.6695 | |
| 776 | N | A | -1.6205 | |
| 777 | I | A | -0.9419 | |
| 778 | I | A | 0.0000 | |
| 779 | Q | A | -1.1581 | |
| 780 | K | A | -1.5202 | |
| 781 | I | A | 0.0000 | |
| 782 | A | A | 0.0000 | |
| 783 | A | A | -0.0025 | |
| 784 | M | A | -0.1692 | |
| 785 | T | A | 0.0000 | |
| 786 | W | A | 0.5729 | |
| 787 | S | A | -0.2282 | |
| 788 | E | A | -1.2173 | |
| 789 | K | A | -2.0593 | |
| 790 | N | A | -1.9493 | |
| 791 | T | A | -1.9648 | |
| 792 | E | A | -2.8235 | |
| 793 | V | A | 0.0000 | |
| 794 | L | A | -1.8391 | |
| 795 | K | A | -2.5188 | |
| 796 | K | A | -1.7236 | |
| 797 | T | A | 0.0000 | |
| 798 | Y | A | 0.0000 | |
| 799 | T | A | -0.6648 | |
| 800 | G | A | -0.5837 | |
| 801 | F | A | 0.0000 | |
| 802 | Y | A | -0.6499 | |
| 803 | T | A | -0.9477 | |
| 804 | L | A | -1.1898 | |
| 805 | S | A | 0.0000 | |
| 806 | R | A | -2.3250 | |
| 807 | S | A | -2.0774 | |
| 808 | V | A | -1.4194 | |
| 809 | D | A | -1.4803 | |
| 810 | I | A | 0.3899 | |
| 811 | S | A | -0.4210 | |
| 812 | N | A | -1.5390 | |
| 813 | L | A | -0.3624 | |
| 814 | E | A | -2.0184 | |
| 815 | D | A | -2.4129 | |
| 816 | T | A | -1.4849 | |
| 817 | S | A | -1.4471 | |
| 818 | P | A | -1.5476 | |
| 819 | E | A | -2.4239 | |
| 820 | S | A | 0.0000 | |
| 821 | T | A | -1.2899 | |
| 822 | L | A | 0.0000 | |
| 823 | A | A | 0.0000 | |
| 824 | K | A | -0.5261 | |
| 825 | K | A | -0.6330 | |
| 826 | T | A | 0.0000 | |
| 827 | Q | A | -0.2598 | |
| 828 | L | A | 1.0247 | |
| 829 | V | A | 0.0000 | |
| 830 | V | A | 0.2302 | |
| 831 | P | A | 0.2418 | |
| 832 | L | A | 0.8712 | |
| 833 | M | A | 0.0000 | |
| 834 | R | A | -1.0325 | |
| 835 | K | A | -1.9445 | |
| 836 | T | A | 0.0000 | |
| 837 | S | A | -0.9383 | |
| 838 | G | A | -1.0479 | |
| 839 | V | A | -0.8394 | |
| 840 | L | A | -0.4668 | |
| 841 | Q | A | -1.3458 | |
| 842 | G | A | -1.4806 | |
| 843 | G | A | -1.1114 | |
| 844 | S | A | -0.6259 | |
| 845 | G | A | -0.1341 | |
| 846 | V | A | 0.7610 | |
| 847 | E | A | -1.1800 | |
| 848 | M | A | -0.7725 | |
| 849 | V | A | -0.9487 | |
| 850 | S | A | -2.1368 | |
| 851 | K | A | -3.5648 | |
| 852 | G | A | -2.9528 | |
| 853 | E | A | -3.5740 | |
| 854 | E | A | -3.8975 | |
| 855 | D | A | -3.4582 | |
| 856 | N | A | 0.0000 | |
| 857 | M | A | -1.6166 | |
| 858 | A | A | -1.2708 | |
| 859 | I | A | -0.7806 | |
| 860 | I | A | 0.0000 | |
| 861 | K | A | -1.9190 | |
| 862 | E | A | -2.2428 | |
| 863 | F | A | -1.1820 | |
| 864 | M | A | 0.0000 | |
| 865 | R | A | -2.9239 | |
| 866 | F | A | 0.0000 | |
| 867 | K | A | -2.7976 | |
| 868 | V | A | 0.0000 | |
| 869 | H | A | -2.2701 | |
| 870 | M | A | 0.0000 | |
| 871 | E | A | -2.9435 | |
| 872 | G | A | 0.0000 | |
| 873 | S | A | -2.2091 | |
| 874 | V | A | 0.0000 | |
| 875 | N | A | -1.5058 | |
| 876 | G | A | -1.6608 | |
| 877 | H | A | -1.8118 | |
| 878 | E | A | -3.0265 | |
| 879 | F | A | 0.0000 | |
| 880 | E | A | -2.8661 | |
| 881 | I | A | 0.0000 | |
| 882 | E | A | -3.1973 | |
| 883 | G | A | 0.0000 | |
| 884 | E | A | -3.5924 | |
| 885 | G | A | -2.6564 | |
| 886 | E | A | -2.4819 | |
| 887 | G | A | 0.0000 | |
| 888 | R | A | -2.5288 | |
| 889 | P | A | 0.0000 | |
| 890 | Y | A | -1.5958 | |
| 891 | E | A | -2.6824 | |
| 892 | G | A | 0.0000 | |
| 893 | T | A | -1.6141 | |
| 894 | Q | A | 0.0000 | |
| 895 | T | A | -1.5236 | |
| 896 | A | A | 0.0000 | |
| 897 | K | A | -2.7530 | |
| 898 | L | A | 0.0000 | |
| 899 | K | A | -2.2170 | |
| 900 | V | A | 0.0000 | |
| 901 | T | A | -1.8977 | |
| 902 | K | A | -2.9399 | |
| 903 | G | A | -1.9884 | |
| 904 | G | A | -1.6284 | |
| 905 | P | A | -1.0979 | |
| 906 | L | A | 0.0000 | |
| 907 | P | A | -0.7763 | |
| 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 | -2.1321 | |
| 927 | H | A | -1.5454 | |
| 928 | P | A | -1.2882 | |
| 929 | A | A | -0.9837 | |
| 930 | D | A | -2.1152 | |
| 931 | I | A | 0.0000 | |
| 932 | P | A | -0.8797 | |
| 933 | D | A | -0.7785 | |
| 934 | Y | A | 0.0000 | |
| 935 | L | A | 0.0000 | |
| 936 | K | A | 0.0000 | |
| 937 | L | A | 0.0000 | |
| 938 | S | A | 0.0000 | |
| 939 | F | A | 0.0000 | |
| 940 | P | A | -0.9478 | |
| 941 | E | A | -1.7940 | |
| 942 | G | A | 0.0000 | |
| 943 | F | A | 0.0000 | |
| 944 | K | A | -1.8165 | |
| 945 | W | A | 0.0000 | |
| 946 | E | A | -1.8097 | |
| 947 | R | A | 0.0000 | |
| 948 | V | A | -0.3666 | |
| 949 | M | A | 0.0000 | |
| 950 | N | A | -1.6552 | |
| 951 | F | A | 0.0000 | |
| 952 | E | A | -1.2202 | |
| 953 | D | A | -0.3633 | |
| 954 | G | A | -0.3627 | |
| 955 | G | A | 0.0000 | |
| 956 | V | A | -0.3727 | |
| 957 | V | A | 0.0000 | |
| 958 | T | A | -0.7298 | |
| 959 | V | A | 0.0000 | |
| 960 | T | A | -1.6019 | |
| 961 | Q | A | 0.0000 | |
| 962 | D | A | -1.6256 | |
| 963 | S | A | 0.0000 | |
| 964 | S | A | -1.1333 | |
| 965 | L | A | -1.4010 | |
| 966 | Q | A | -2.5559 | |
| 967 | D | A | -2.7668 | |
| 968 | G | A | -2.3997 | |
| 969 | E | A | -2.6032 | |
| 970 | F | A | 0.0000 | |
| 971 | I | A | -1.5422 | |
| 972 | Y | A | 0.0000 | |
| 973 | K | A | -2.2623 | |
| 974 | V | A | 0.0000 | |
| 975 | K | A | -2.8717 | |
| 976 | L | A | 0.0000 | |
| 977 | R | A | -1.9552 | |
| 978 | G | A | 0.0000 | |
| 979 | T | A | -0.7218 | |
| 980 | N | A | -0.5824 | |
| 981 | F | A | 0.0000 | |
| 982 | P | A | 0.0000 | |
| 983 | S | A | -1.1395 | |
| 984 | D | A | -1.7566 | |
| 985 | G | A | 0.0000 | |
| 986 | P | A | -1.5370 | |
| 987 | V | A | 0.0000 | |
| 988 | M | A | -1.3532 | |
| 989 | Q | A | -2.2444 | |
| 990 | K | A | -2.0317 | |
| 991 | K | A | -2.1435 | |
| 992 | T | A | -1.2835 | |
| 993 | M | A | -0.4993 | |
| 994 | G | A | -0.6630 | |
| 995 | W | A | 0.0000 | |
| 996 | E | A | -1.6828 | |
| 997 | A | A | -1.4653 | |
| 998 | S | A | -1.3649 | |
| 999 | S | A | -1.5862 | |
| 1000 | E | A | 0.0000 | |
| 1001 | R | A | -2.2955 | |
| 1002 | M | A | 0.0000 | |
| 1003 | Y | A | -0.9972 | |
| 1004 | P | A | -1.5999 | |
| 1005 | E | A | -2.9737 | |
| 1006 | D | A | -3.2575 | |
| 1007 | G | A | -2.3158 | |
| 1008 | A | A | 0.0000 | |
| 1009 | L | A | 0.0000 | |
| 1010 | K | A | -1.9696 | |
| 1011 | G | A | 0.0000 | |
| 1012 | E | A | -2.2875 | |
| 1013 | I | A | 0.0000 | |
| 1014 | K | A | -3.0236 | |
| 1015 | Q | A | 0.0000 | |
| 1016 | R | A | -2.3768 | |
| 1017 | L | A | 0.0000 | |
| 1018 | K | A | -1.8981 | |
| 1019 | L | A | -2.1171 | |
| 1020 | K | A | -2.9638 | |
| 1021 | D | A | -3.0038 | |
| 1022 | G | A | -2.0458 | |
| 1023 | G | A | -1.8169 | |
| 1024 | H | A | -1.7020 | |
| 1025 | Y | A | 0.0000 | |
| 1026 | D | A | -2.0556 | |
| 1027 | A | A | 0.0000 | |
| 1028 | E | A | -2.8197 | |
| 1029 | V | A | 0.0000 | |
| 1030 | K | A | -2.0780 | |
| 1031 | T | A | 0.0000 | |
| 1032 | T | A | -1.5340 | |
| 1033 | Y | A | 0.0000 | |
| 1034 | K | A | -1.6460 | |
| 1035 | A | A | -1.2804 | |
| 1036 | K | A | -1.5539 | |
| 1037 | K | A | -1.1513 | |
| 1038 | P | A | -0.9192 | |
| 1039 | V | A | -0.3551 | |
| 1040 | Q | A | -0.3164 | |
| 1041 | L | A | -0.5391 | |
| 1042 | P | A | 0.0000 | |
| 1043 | G | A | -0.9091 | |
| 1044 | A | A | -0.9689 | |
| 1045 | Y | A | 0.0000 | |
| 1046 | N | A | -1.8456 | |
| 1047 | V | A | 0.0000 | |
| 1048 | N | A | -1.7101 | |
| 1049 | I | A | 0.0000 | |
| 1050 | K | A | -2.3778 | |
| 1051 | L | A | 0.0000 | |
| 1052 | D | A | -2.0347 | |
| 1053 | I | A | -0.6203 | |
| 1054 | T | A | -0.8455 | |
| 1055 | S | A | -1.1219 | |
| 1056 | H | A | -1.5841 | |
| 1057 | N | A | -1.6363 | |
| 1058 | E | A | -2.4303 | |
| 1059 | D | A | -1.8519 | |
| 1060 | Y | A | -1.0064 | |
| 1061 | T | A | -0.9757 | |
| 1062 | I | A | -1.0004 | |
| 1063 | V | A | 0.0000 | |
| 1064 | E | A | -1.6960 | |
| 1065 | Q | A | 0.0000 | |
| 1066 | Y | A | -1.0443 | |
| 1067 | E | A | 0.0000 | |
| 1068 | R | A | -2.4638 | |
| 1069 | A | A | 0.0000 | |
| 1070 | E | A | -2.1631 | |
| 1071 | G | A | 0.0000 | |
| 1072 | R | A | -2.7108 | |
| 1073 | H | A | -2.1940 | |
| 1074 | S | A | -1.3747 | |
| 1075 | T | A | -1.0204 | |
| 1076 | G | A | -1.5491 | |
| 1077 | G | A | -1.2905 | |
| 1078 | M | A | -0.2237 | |
| 1079 | D | A | -1.9854 | |
| 1080 | E | A | -2.0611 | |
| 1081 | L | A | 0.2546 | |
| 1082 | Y | A | 0.0688 | |
| 1083 | K | A | -1.9684 | |
| 1084 | G | A | -1.4818 | |
| 1085 | G | A | -0.5870 | |
| 1086 | S | A | -0.7449 | |
| 1087 | G | A | -0.7942 | |
| 1088 | V | A | 0.1060 | |
| 1089 | E | A | -2.0329 | |
| 1090 | H | A | -2.3616 | |
| 1091 | H | A | -2.6779 | |
| 1092 | H | A | -2.9263 | |
| 1093 | H | A | -2.6810 | |
| 1094 | H | A | -2.3902 | |
| 1095 | H | A | -1.9039 |
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 | -0.8499 | 3.7003 | View | CSV | PDB |
| 4.5 | -0.918 | 3.7046 | View | CSV | PDB |
| 5.0 | -1.0017 | 3.7174 | View | CSV | PDB |
| 5.5 | -1.0814 | 3.7504 | View | CSV | PDB |
| 6.0 | -1.1355 | 3.8174 | View | CSV | PDB |
| 6.5 | -1.1509 | 3.9178 | View | CSV | PDB |
| 7.0 | -1.1313 | 4.0379 | View | CSV | PDB |
| 7.5 | -1.0901 | 4.166 | View | CSV | PDB |
| 8.0 | -1.0377 | 4.2966 | View | CSV | PDB |
| 8.5 | -0.978 | 4.4275 | View | CSV | PDB |
| 9.0 | -0.9119 | 4.5562 | 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