| Chain sequence(s) |
A: MSDQEAKPSTEDLGDKKEGEYIKLKVIGQDSSEIHFKVKMTTHLKKLKESYCQRQGVPMNSLRFLFEGQRIADNHTPKELGMEEEDVIEVYQEQTGGHSTVDNSRLWQAGKEHIFHYTGRLLSGIPGLRPHFSGIGIETEVHLQVKSLEDIRLNLRQVNYTQVNGPLSPGLPHVTSSYEGSNWRYVLLPQFTQAPIDIKKLLKVPITFAIHDGEIKTITVSGTEQKWSLNFKKALVALFQTKMETSTLDLEMNTIVKDSDSTKNYWKVSEETIEGVCDVIYQVNELPEYIVKERAHYFPHLEACTSKKFYEITKTKEIDSCKKSAVYTFMKPAVKAKSCNRFKCLSRTFGSASSMTRYYACGPRSNWILQTIVNEGEIVQRPVGVKSETITTGTRQVLKLRTIQPISSEVPKPPQPRTTEKIMYEYINAGQVSRQQIGIIPKIPQSELKSGEIYKYLPRHFNPAPSSTESKQHLSATKIKAELKSYIISIIDDLSSVEELAQKEIPLRLTTFIRGMTLLKVEDIKSLYTDLKSTVYSPAHSNQEKISMFHNIFFDAVMVSGTTPAVLFLKDMIKSKEIPTYQATYLLMLLPHHIITPTKEVFTSLLEIIQSEIVISNTILYNTAILSMSNLVEKTCLDKSRQVSYPTAVFGQFCDAQSEIVTEKWIPYLTKAVQTAPTADRRNAIIMALGALKHKDIIPALLPLVEGHGPIEQGSGVAFPNISRTLSIYAIGNVRVHHPELVLPIILSVYSNPAENTQLRIAAFNMLVNMNPPMNIIQKIAAMTWSEKNTEVLKKTYTGFYTLSRSVDISNLEDTSPESTLAKKTQLVVPLMRKTSGVLQGGSGVEMVSKGEEDNMAIIKEFMRFKVHMEGSVNGHEFEIEGEGEGRPYEGTQTAKLKVTKGGPLPFAWDILSPQFMYGSKAYVKHPADIPDYLKLSFPEGFKWERVMNFEDGGVVTVTQDSSLQDGEFIYKVKLRGTNFPSDGPVMQKKTMGWEASSERMYPEDGALKGEIKQRLKLKDGGHYDAEVKTTYKAKKPVQLPGAYNVNIKLDITSHNEDYTIVEQYERAEGRHSTGGMDELYKGGSGVEHHHHHH
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:30:22)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/7b7d19b5373fb57/tmp/folded.pdb (00:30:22)
[INFO] Main: Simulation completed successfully. (00:40:20)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.3147 | |
| 2 | S | A | -1.2234 | |
| 3 | D | A | -2.7601 | |
| 4 | Q | A | -3.1498 | |
| 5 | E | A | -3.5172 | |
| 6 | A | A | -2.4204 | |
| 7 | K | A | -2.6039 | |
| 8 | P | A | -1.7640 | |
| 9 | S | A | -1.6942 | |
| 10 | T | A | -1.6495 | |
| 11 | E | A | -2.4772 | |
| 12 | D | A | -2.3938 | |
| 13 | L | A | -0.8243 | |
| 14 | G | A | -2.2002 | |
| 15 | D | A | -3.5789 | |
| 16 | K | A | -3.8886 | |
| 17 | K | A | -4.4296 | |
| 18 | E | A | -4.0276 | |
| 19 | G | A | -2.5864 | |
| 20 | E | A | -2.9426 | |
| 21 | Y | A | -1.3773 | |
| 22 | I | A | 0.0000 | |
| 23 | K | A | -3.1592 | |
| 24 | L | A | 0.0000 | |
| 25 | K | A | -1.9441 | |
| 26 | V | A | 0.0000 | |
| 27 | I | A | -1.1881 | |
| 28 | G | A | 0.0000 | |
| 29 | Q | A | -2.5115 | |
| 30 | D | A | -2.6235 | |
| 31 | S | A | -1.9181 | |
| 32 | S | A | -1.6712 | |
| 33 | E | A | -2.1930 | |
| 34 | I | A | -0.9712 | |
| 35 | H | A | -1.9091 | |
| 36 | F | A | -1.6177 | |
| 37 | K | A | -2.5549 | |
| 38 | V | A | 0.0000 | |
| 39 | K | A | -1.6341 | |
| 40 | M | A | -1.9312 | |
| 41 | T | A | -1.2582 | |
| 42 | T | A | -1.2727 | |
| 43 | H | A | -2.4295 | |
| 44 | L | A | 0.0000 | |
| 45 | K | A | -2.8917 | |
| 46 | K | A | -3.1262 | |
| 47 | L | A | 0.0000 | |
| 48 | K | A | 0.0000 | |
| 49 | E | A | -3.4666 | |
| 50 | S | A | -2.5301 | |
| 51 | Y | A | 0.0000 | |
| 52 | C | A | 0.0000 | |
| 53 | Q | A | -2.9414 | |
| 54 | R | A | -3.1139 | |
| 55 | Q | A | -2.4036 | |
| 56 | G | A | -1.7193 | |
| 57 | V | A | -1.2903 | |
| 58 | P | A | -1.0639 | |
| 59 | M | A | -1.5100 | |
| 60 | N | A | -1.8948 | |
| 61 | S | A | -1.3573 | |
| 62 | L | A | 0.0000 | |
| 63 | R | A | -2.0484 | |
| 64 | F | A | 0.0000 | |
| 65 | L | A | -1.9628 | |
| 66 | F | A | 0.0000 | |
| 67 | E | A | -2.7229 | |
| 68 | G | A | -2.4614 | |
| 69 | Q | A | -2.9085 | |
| 70 | R | A | -3.1036 | |
| 71 | I | A | 0.0000 | |
| 72 | A | A | -1.6555 | |
| 73 | D | A | -2.4019 | |
| 74 | N | A | -2.4329 | |
| 75 | H | A | -2.2348 | |
| 76 | T | A | 0.0000 | |
| 77 | P | A | 0.0000 | |
| 78 | K | A | -3.3013 | |
| 79 | E | A | -2.9270 | |
| 80 | L | A | -2.0283 | |
| 81 | G | A | -1.9846 | |
| 82 | M | A | 0.0000 | |
| 83 | E | A | -3.5112 | |
| 84 | E | A | -4.0953 | |
| 85 | E | A | -3.8090 | |
| 86 | D | A | -2.7831 | |
| 87 | V | A | -1.3766 | |
| 88 | I | A | 0.0000 | |
| 89 | E | A | -1.8661 | |
| 90 | V | A | 0.0000 | |
| 91 | Y | A | -1.4050 | |
| 92 | Q | A | -2.0761 | |
| 93 | E | A | -2.0399 | |
| 94 | Q | A | -2.3819 | |
| 95 | T | A | -1.8259 | |
| 96 | G | A | -1.6663 | |
| 97 | G | A | -1.4602 | |
| 98 | H | A | -1.9367 | |
| 99 | S | A | -1.6988 | |
| 100 | T | A | -1.6630 | |
| 101 | V | A | -1.7122 | |
| 102 | D | A | -2.3050 | |
| 103 | N | A | 0.0000 | |
| 104 | S | A | -1.7427 | |
| 105 | R | A | -2.3892 | |
| 106 | L | A | -1.0855 | |
| 107 | W | A | 0.0000 | |
| 108 | Q | A | -1.3752 | |
| 109 | A | A | -1.1206 | |
| 110 | G | A | -1.0657 | |
| 111 | K | A | -0.9983 | |
| 112 | E | A | 0.0000 | |
| 113 | H | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | H | A | -1.3176 | |
| 117 | Y | A | 0.0000 | |
| 118 | T | A | -0.5907 | |
| 119 | G | A | 0.0000 | |
| 120 | R | A | 0.0490 | |
| 121 | L | A | 0.6688 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | -0.1119 | |
| 124 | G | A | 0.0000 | |
| 125 | I | A | 0.0000 | |
| 126 | P | A | 0.0000 | |
| 127 | G | A | -0.4726 | |
| 128 | L | A | 0.2008 | |
| 129 | R | A | -0.9237 | |
| 130 | P | A | -0.6896 | |
| 131 | H | A | 0.0000 | |
| 132 | F | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | G | A | -0.5266 | |
| 135 | I | A | 0.1680 | |
| 136 | G | A | 0.0000 | |
| 137 | I | A | -0.2293 | |
| 138 | E | A | -1.2473 | |
| 139 | T | A | 0.0000 | |
| 140 | E | A | 0.0000 | |
| 141 | V | A | 0.0000 | |
| 142 | H | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | Q | A | 0.0000 | |
| 145 | V | A | 0.0000 | |
| 146 | K | A | -1.9212 | |
| 147 | S | A | -1.4434 | |
| 148 | L | A | -1.5630 | |
| 149 | E | A | -2.3700 | |
| 150 | D | A | -1.7970 | |
| 151 | I | A | 0.0000 | |
| 152 | R | A | -1.2959 | |
| 153 | L | A | 0.0000 | |
| 154 | N | A | -0.7696 | |
| 155 | L | A | 0.0000 | |
| 156 | R | A | -2.0330 | |
| 157 | Q | A | -2.2900 | |
| 158 | V | A | 0.0000 | |
| 159 | N | A | -1.4842 | |
| 160 | Y | A | -0.8362 | |
| 161 | T | A | 0.0000 | |
| 162 | Q | A | -1.2647 | |
| 163 | V | A | 0.0000 | |
| 164 | N | A | -2.1942 | |
| 165 | G | A | -1.5312 | |
| 166 | P | A | -0.8672 | |
| 167 | L | A | 0.0000 | |
| 168 | S | A | 0.0675 | |
| 169 | P | A | -0.1114 | |
| 170 | G | A | 0.1175 | |
| 171 | L | A | -0.1294 | |
| 172 | P | A | -0.7180 | |
| 173 | H | A | -1.1046 | |
| 174 | V | A | -0.4972 | |
| 175 | T | A | -0.7049 | |
| 176 | S | A | 0.0000 | |
| 177 | S | A | -0.6220 | |
| 178 | Y | A | -0.4222 | |
| 179 | E | A | -0.3864 | |
| 180 | G | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | N | A | -0.2720 | |
| 183 | W | A | 0.0000 | |
| 184 | R | A | 0.0000 | |
| 185 | Y | A | 0.4407 | |
| 186 | V | A | 0.0000 | |
| 187 | L | A | 1.2838 | |
| 188 | L | A | 0.4906 | |
| 189 | P | A | -0.3843 | |
| 190 | Q | A | -0.9271 | |
| 191 | F | A | -0.6990 | |
| 192 | T | A | -1.0058 | |
| 193 | Q | A | -1.2857 | |
| 194 | A | A | 0.0000 | |
| 195 | P | A | -0.2569 | |
| 196 | I | A | 0.4144 | |
| 197 | D | A | -1.5330 | |
| 198 | I | A | -0.9939 | |
| 199 | K | A | -1.9601 | |
| 200 | K | A | -2.3360 | |
| 201 | L | A | -1.4042 | |
| 202 | L | A | 0.0000 | |
| 203 | K | A | -2.7438 | |
| 204 | V | A | -1.3892 | |
| 205 | P | A | 0.0000 | |
| 206 | I | A | 0.0000 | |
| 207 | T | A | 0.0000 | |
| 208 | F | A | 0.0000 | |
| 209 | A | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | H | A | -1.9879 | |
| 212 | D | A | -2.4295 | |
| 213 | G | A | 0.0000 | |
| 214 | E | A | -1.3097 | |
| 215 | I | A | 0.0000 | |
| 216 | K | A | -2.5258 | |
| 217 | T | A | -2.0482 | |
| 218 | I | A | 0.0000 | |
| 219 | T | A | -1.2868 | |
| 220 | V | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | G | A | -1.5995 | |
| 223 | T | A | -1.0769 | |
| 224 | E | A | -1.0742 | |
| 225 | Q | A | -0.8283 | |
| 226 | K | A | -0.1982 | |
| 227 | W | A | 0.4490 | |
| 228 | S | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | N | A | -0.0096 | |
| 231 | F | A | 0.2920 | |
| 232 | K | A | 0.0000 | |
| 233 | K | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | A | A | -0.0008 | |
| 238 | L | A | 0.0000 | |
| 239 | F | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | T | A | -0.5567 | |
| 242 | K | A | -1.2545 | |
| 243 | M | A | 0.0000 | |
| 244 | E | A | -2.4657 | |
| 245 | T | A | -1.8194 | |
| 246 | S | A | -1.4921 | |
| 247 | T | A | -0.9246 | |
| 248 | L | A | 0.0000 | |
| 249 | D | A | -1.8715 | |
| 250 | L | A | -0.5461 | |
| 251 | E | A | 0.0000 | |
| 252 | M | A | 0.1229 | |
| 253 | N | A | -0.9842 | |
| 254 | T | A | -0.6973 | |
| 255 | I | A | 0.0867 | |
| 256 | V | A | 0.4159 | |
| 257 | K | A | -1.8335 | |
| 258 | D | A | -2.4256 | |
| 259 | S | A | -1.8443 | |
| 260 | D | A | -2.4933 | |
| 261 | S | A | -1.1584 | |
| 262 | T | A | -0.7713 | |
| 263 | K | A | -0.7673 | |
| 264 | N | A | -0.4381 | |
| 265 | Y | A | -0.1613 | |
| 266 | W | A | 0.0000 | |
| 267 | K | A | -1.8226 | |
| 268 | V | A | -1.0544 | |
| 269 | S | A | -0.7572 | |
| 270 | E | A | 0.0000 | |
| 271 | E | A | -1.2414 | |
| 272 | T | A | 0.0000 | |
| 273 | I | A | -0.0902 | |
| 274 | E | A | -0.3775 | |
| 275 | G | A | 0.0000 | |
| 276 | V | A | -0.9759 | |
| 277 | C | A | 0.0000 | |
| 278 | D | A | -0.9947 | |
| 279 | V | A | 0.0000 | |
| 280 | I | A | -0.5818 | |
| 281 | Y | A | 0.0000 | |
| 282 | Q | A | 0.0000 | |
| 283 | V | A | 0.0000 | |
| 284 | N | A | -0.6315 | |
| 285 | E | A | -1.5980 | |
| 286 | L | A | 0.0000 | |
| 287 | P | A | -1.6559 | |
| 288 | E | A | -2.5873 | |
| 289 | Y | A | -0.6851 | |
| 290 | I | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | K | A | -2.7024 | |
| 293 | E | A | -2.7904 | |
| 294 | R | A | -1.9425 | |
| 295 | A | A | -1.5107 | |
| 296 | H | A | -1.5793 | |
| 297 | Y | A | -0.8597 | |
| 298 | F | A | 0.0000 | |
| 299 | P | A | -0.8503 | |
| 300 | H | A | -0.8938 | |
| 301 | L | A | -1.1460 | |
| 302 | E | A | -1.9093 | |
| 303 | A | A | -0.9703 | |
| 304 | C | A | 0.0000 | |
| 305 | T | A | -1.1889 | |
| 306 | S | A | -1.3143 | |
| 307 | K | A | -2.8685 | |
| 308 | K | A | -2.6018 | |
| 309 | F | A | 0.0000 | |
| 310 | Y | A | 0.0000 | |
| 311 | E | A | 0.0000 | |
| 312 | I | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | K | A | 0.0000 | |
| 315 | T | A | 0.0000 | |
| 316 | K | A | 0.0000 | |
| 317 | E | A | -1.0303 | |
| 318 | I | A | -0.4822 | |
| 319 | D | A | -0.6889 | |
| 320 | S | A | -1.2892 | |
| 321 | C | A | -1.5199 | |
| 322 | K | A | -2.4286 | |
| 323 | K | A | -2.1205 | |
| 324 | S | A | -0.6323 | |
| 325 | A | A | 0.0000 | |
| 326 | V | A | 1.4641 | |
| 327 | Y | A | 1.5967 | |
| 328 | T | A | 1.1251 | |
| 329 | F | A | 1.0524 | |
| 330 | M | A | 0.5236 | |
| 331 | K | A | 0.2573 | |
| 332 | P | A | -0.2804 | |
| 333 | A | A | -0.7575 | |
| 334 | V | A | -1.1868 | |
| 335 | K | A | -2.5065 | |
| 336 | A | A | -1.9201 | |
| 337 | K | A | -2.1914 | |
| 338 | S | A | -1.2793 | |
| 339 | C | A | -0.5991 | |
| 340 | N | A | -0.9682 | |
| 341 | R | A | -1.3900 | |
| 342 | F | A | -0.5113 | |
| 343 | K | A | -1.0397 | |
| 344 | C | A | -0.7833 | |
| 345 | L | A | -0.1586 | |
| 346 | S | A | -0.3322 | |
| 347 | R | A | -0.4238 | |
| 348 | T | A | -0.1050 | |
| 349 | F | A | -0.0896 | |
| 350 | G | A | -0.3163 | |
| 351 | S | A | -0.1561 | |
| 352 | A | A | -0.0301 | |
| 353 | S | A | -0.1207 | |
| 354 | S | A | 0.0000 | |
| 355 | M | A | 0.0000 | |
| 356 | T | A | 0.0000 | |
| 357 | R | A | 0.0000 | |
| 358 | Y | A | 0.0000 | |
| 359 | Y | A | 0.0000 | |
| 360 | A | A | 0.0000 | |
| 361 | C | A | 0.0000 | |
| 362 | G | A | 0.0000 | |
| 363 | P | A | -0.9237 | |
| 364 | R | A | -0.9729 | |
| 365 | S | A | -1.1740 | |
| 366 | N | A | -1.3191 | |
| 367 | W | A | 0.0000 | |
| 368 | I | A | 0.0442 | |
| 369 | L | A | 0.0000 | |
| 370 | Q | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | I | A | 0.0000 | |
| 373 | V | A | 0.0000 | |
| 374 | N | A | 0.0000 | |
| 375 | E | A | 0.0000 | |
| 376 | G | A | 0.0812 | |
| 377 | E | A | 0.0000 | |
| 378 | I | A | 0.3646 | |
| 379 | V | A | 0.0000 | |
| 380 | Q | A | -0.6352 | |
| 381 | R | A | -0.9956 | |
| 382 | P | A | -0.4414 | |
| 383 | V | A | 0.0000 | |
| 384 | G | A | 0.0000 | |
| 385 | V | A | -0.0827 | |
| 386 | K | A | -1.6305 | |
| 387 | S | A | -1.5185 | |
| 388 | E | A | -1.4077 | |
| 389 | T | A | -0.8847 | |
| 390 | I | A | 0.0000 | |
| 391 | T | A | 0.0000 | |
| 392 | T | A | 0.3059 | |
| 393 | G | A | 0.0000 | |
| 394 | T | A | 0.1899 | |
| 395 | R | A | -0.1646 | |
| 396 | Q | A | 0.0000 | |
| 397 | V | A | -0.2108 | |
| 398 | L | A | 0.0000 | |
| 399 | K | A | -1.0919 | |
| 400 | L | A | 0.0000 | |
| 401 | R | A | -0.8948 | |
| 402 | T | A | -0.2033 | |
| 403 | I | A | 0.3613 | |
| 404 | Q | A | -0.3515 | |
| 405 | P | A | -0.5625 | |
| 406 | I | A | -0.7866 | |
| 407 | S | A | -0.8217 | |
| 408 | S | A | -1.1661 | |
| 409 | E | A | -2.3250 | |
| 410 | V | A | 0.0000 | |
| 411 | P | A | -1.6365 | |
| 412 | K | A | -2.3539 | |
| 413 | P | A | 0.0000 | |
| 414 | P | A | -1.5888 | |
| 415 | Q | A | -2.1286 | |
| 416 | P | A | -2.0076 | |
| 417 | R | A | -1.8799 | |
| 418 | T | A | -1.3777 | |
| 419 | T | A | -1.8596 | |
| 420 | E | A | -2.8761 | |
| 421 | K | A | -2.4866 | |
| 422 | I | A | 0.0000 | |
| 423 | M | A | 0.0000 | |
| 424 | Y | A | 0.1779 | |
| 425 | E | A | 0.2906 | |
| 426 | Y | A | 1.3153 | |
| 427 | I | A | 1.3795 | |
| 428 | N | A | -0.4296 | |
| 429 | A | A | 0.0180 | |
| 430 | G | A | -1.0400 | |
| 431 | Q | A | -1.6853 | |
| 432 | V | A | -1.1582 | |
| 433 | S | A | -1.7593 | |
| 434 | R | A | -2.4329 | |
| 435 | Q | A | -1.9783 | |
| 436 | Q | A | -1.2603 | |
| 437 | I | A | -0.0596 | |
| 438 | G | A | -0.1299 | |
| 439 | I | A | 1.1684 | |
| 440 | I | A | 0.6443 | |
| 441 | P | A | -0.2138 | |
| 442 | K | A | -1.5331 | |
| 443 | I | A | 0.0000 | |
| 444 | P | A | -1.4399 | |
| 445 | Q | A | -1.9893 | |
| 446 | S | A | -1.5742 | |
| 447 | E | A | -1.5147 | |
| 448 | L | A | -1.2844 | |
| 449 | K | A | -2.2801 | |
| 450 | S | A | -1.4286 | |
| 451 | G | A | -1.0041 | |
| 452 | E | A | -0.9003 | |
| 453 | I | A | -0.4165 | |
| 454 | Y | A | -0.3521 | |
| 455 | K | A | -1.1649 | |
| 456 | Y | A | -0.5611 | |
| 457 | L | A | -0.4263 | |
| 458 | P | A | -1.0024 | |
| 459 | R | A | -2.3163 | |
| 460 | H | A | -1.8964 | |
| 461 | F | A | -0.7796 | |
| 462 | N | A | -1.5864 | |
| 463 | P | A | -1.2096 | |
| 464 | A | A | -0.7489 | |
| 465 | P | A | -0.7958 | |
| 466 | S | A | -0.7427 | |
| 467 | S | A | -1.0210 | |
| 468 | T | A | -1.4435 | |
| 469 | E | A | -2.6685 | |
| 470 | S | A | -2.4828 | |
| 471 | K | A | -2.9296 | |
| 472 | Q | A | -2.6559 | |
| 473 | H | A | -1.9154 | |
| 474 | L | A | -1.0444 | |
| 475 | S | A | -0.8580 | |
| 476 | A | A | -1.0260 | |
| 477 | T | A | -1.0623 | |
| 478 | K | A | -2.0377 | |
| 479 | I | A | 0.0000 | |
| 480 | K | A | -1.4820 | |
| 481 | A | A | -1.6209 | |
| 482 | E | A | -1.9354 | |
| 483 | L | A | 0.0000 | |
| 484 | K | A | -1.2826 | |
| 485 | S | A | -0.6404 | |
| 486 | Y | A | -0.3996 | |
| 487 | I | A | 0.0000 | |
| 488 | I | A | -0.2492 | |
| 489 | S | A | -0.6611 | |
| 490 | I | A | 0.0000 | |
| 491 | I | A | 0.0000 | |
| 492 | D | A | -1.9700 | |
| 493 | D | A | -1.7687 | |
| 494 | L | A | 0.0000 | |
| 495 | S | A | -1.3739 | |
| 496 | S | A | -1.0470 | |
| 497 | V | A | 0.0000 | |
| 498 | E | A | -2.2997 | |
| 499 | E | A | -2.4277 | |
| 500 | L | A | 0.0000 | |
| 501 | A | A | -1.6279 | |
| 502 | Q | A | -2.4400 | |
| 503 | K | A | -1.9367 | |
| 504 | E | A | -2.0271 | |
| 505 | I | A | 0.0000 | |
| 506 | P | A | -0.1972 | |
| 507 | L | A | 0.6221 | |
| 508 | R | A | -0.0461 | |
| 509 | L | A | 0.0000 | |
| 510 | T | A | 0.4119 | |
| 511 | T | A | 0.1537 | |
| 512 | F | A | 0.0000 | |
| 513 | I | A | 0.2656 | |
| 514 | R | A | -0.2237 | |
| 515 | G | A | -0.3739 | |
| 516 | M | A | 0.0000 | |
| 517 | T | A | 0.1350 | |
| 518 | L | A | -0.0491 | |
| 519 | L | A | 0.0000 | |
| 520 | K | A | -1.2314 | |
| 521 | V | A | -1.1851 | |
| 522 | E | A | -2.1985 | |
| 523 | D | A | -1.4997 | |
| 524 | I | A | 0.0000 | |
| 525 | K | A | -1.7034 | |
| 526 | S | A | -1.5269 | |
| 527 | L | A | 0.0000 | |
| 528 | Y | A | 0.0000 | |
| 529 | T | A | -1.2699 | |
| 530 | D | A | -2.0330 | |
| 531 | L | A | 0.0000 | |
| 532 | K | A | -0.8777 | |
| 533 | S | A | -0.8241 | |
| 534 | T | A | -0.5751 | |
| 535 | V | A | 0.0000 | |
| 536 | Y | A | 0.0423 | |
| 537 | S | A | -0.2084 | |
| 538 | P | A | -0.4242 | |
| 539 | A | A | -0.3744 | |
| 540 | H | A | -1.2770 | |
| 541 | S | A | -1.2785 | |
| 542 | N | A | -2.2537 | |
| 543 | Q | A | -2.5164 | |
| 544 | E | A | -2.8317 | |
| 545 | K | A | -1.9843 | |
| 546 | I | A | -1.1652 | |
| 547 | S | A | -1.2866 | |
| 548 | M | A | -1.1217 | |
| 549 | F | A | 0.0000 | |
| 550 | H | A | -0.4026 | |
| 551 | N | A | 0.0000 | |
| 552 | I | A | 0.0000 | |
| 553 | F | A | 0.0000 | |
| 554 | F | A | 0.0000 | |
| 555 | D | A | 0.0000 | |
| 556 | A | A | 0.0000 | |
| 557 | V | A | 0.0000 | |
| 558 | M | A | 0.0000 | |
| 559 | V | A | 0.3050 | |
| 560 | S | A | 0.0000 | |
| 561 | G | A | 0.0000 | |
| 562 | T | A | 0.0000 | |
| 563 | T | A | -0.4380 | |
| 564 | P | A | -0.4266 | |
| 565 | A | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | L | A | -0.1794 | |
| 568 | F | A | 0.0000 | |
| 569 | L | A | 0.0000 | |
| 570 | K | A | -0.8848 | |
| 571 | D | A | -1.5952 | |
| 572 | M | A | -1.3249 | |
| 573 | I | A | 0.0000 | |
| 574 | K | A | -2.2804 | |
| 575 | S | A | -1.7771 | |
| 576 | K | A | -2.3700 | |
| 577 | E | A | -1.6228 | |
| 578 | I | A | 0.0000 | |
| 579 | P | A | -0.2319 | |
| 580 | T | A | 0.4291 | |
| 581 | Y | A | 1.6444 | |
| 582 | Q | A | 0.0000 | |
| 583 | A | A | 0.0000 | |
| 584 | T | A | 0.7903 | |
| 585 | Y | A | 0.0000 | |
| 586 | L | A | 0.0000 | |
| 587 | L | A | 0.0000 | |
| 588 | M | A | 0.2304 | |
| 589 | L | A | 0.0000 | |
| 590 | L | A | 0.0000 | |
| 591 | P | A | 0.0000 | |
| 592 | H | A | -0.1738 | |
| 593 | H | A | 0.0000 | |
| 594 | I | A | 0.0000 | |
| 595 | I | A | 0.3701 | |
| 596 | T | A | 0.0000 | |
| 597 | P | A | 0.0000 | |
| 598 | T | A | -1.1315 | |
| 599 | K | A | -2.0661 | |
| 600 | E | A | -1.4878 | |
| 601 | V | A | 0.0000 | |
| 602 | F | A | 0.0000 | |
| 603 | T | A | -1.0115 | |
| 604 | S | A | 0.0000 | |
| 605 | L | A | 0.0000 | |
| 606 | L | A | -0.8448 | |
| 607 | E | A | -1.9895 | |
| 608 | I | A | 0.0000 | |
| 609 | I | A | 0.0000 | |
| 610 | Q | A | -1.6695 | |
| 611 | S | A | 0.0000 | |
| 612 | E | A | -2.0514 | |
| 613 | I | A | -1.2230 | |
| 614 | V | A | 0.0000 | |
| 615 | I | A | -0.0041 | |
| 616 | S | A | -0.2161 | |
| 617 | N | A | 0.0868 | |
| 618 | T | A | 0.5523 | |
| 619 | I | A | 1.8606 | |
| 620 | L | A | 0.0000 | |
| 621 | Y | A | 0.0000 | |
| 622 | N | A | 0.4528 | |
| 623 | T | A | 0.5831 | |
| 624 | A | A | 0.0000 | |
| 625 | I | A | 0.0000 | |
| 626 | L | A | 0.3491 | |
| 627 | S | A | 0.0000 | |
| 628 | M | A | 0.0000 | |
| 629 | S | A | 0.0000 | |
| 630 | N | A | 0.0000 | |
| 631 | L | A | 0.0000 | |
| 632 | V | A | 0.0000 | |
| 633 | E | A | 0.0000 | |
| 634 | K | A | -1.3225 | |
| 635 | T | A | 0.0000 | |
| 636 | C | A | 0.0000 | |
| 637 | L | A | 0.0000 | |
| 638 | D | A | -1.9234 | |
| 639 | K | A | -2.3463 | |
| 640 | S | A | -1.8584 | |
| 641 | R | A | -1.9486 | |
| 642 | Q | A | -1.8753 | |
| 643 | V | A | -0.4709 | |
| 644 | S | A | 0.0000 | |
| 645 | Y | A | 0.0000 | |
| 646 | P | A | -0.2293 | |
| 647 | T | A | -0.6014 | |
| 648 | A | A | -0.1609 | |
| 649 | V | A | -0.0323 | |
| 650 | F | A | -0.5103 | |
| 651 | G | A | -0.9386 | |
| 652 | Q | A | -1.6168 | |
| 653 | F | A | -1.0071 | |
| 654 | C | A | 0.0000 | |
| 655 | D | A | -2.3406 | |
| 656 | A | A | -1.7286 | |
| 657 | Q | A | -2.2189 | |
| 658 | S | A | -2.2672 | |
| 659 | E | A | -2.9574 | |
| 660 | I | A | 0.0000 | |
| 661 | V | A | 0.0000 | |
| 662 | T | A | -2.3035 | |
| 663 | E | A | -2.9273 | |
| 664 | K | A | -2.0739 | |
| 665 | W | A | 0.0000 | |
| 666 | I | A | 0.0000 | |
| 667 | P | A | -1.3394 | |
| 668 | Y | A | -1.0021 | |
| 669 | L | A | 0.0000 | |
| 670 | T | A | -1.2448 | |
| 671 | K | A | -2.0522 | |
| 672 | A | A | -1.2167 | |
| 673 | V | A | 0.0000 | |
| 674 | Q | A | -1.7369 | |
| 675 | T | A | -1.1460 | |
| 676 | A | A | 0.0000 | |
| 677 | P | A | -0.8928 | |
| 678 | T | A | -0.9446 | |
| 679 | A | A | -0.7458 | |
| 680 | D | A | -1.6565 | |
| 681 | R | A | 0.0000 | |
| 682 | R | A | 0.0000 | |
| 683 | N | A | -0.4613 | |
| 684 | A | A | 0.0000 | |
| 685 | I | A | 0.0000 | |
| 686 | I | A | 0.0000 | |
| 687 | M | A | 0.6256 | |
| 688 | A | A | 0.0000 | |
| 689 | L | A | 0.0000 | |
| 690 | G | A | 0.0000 | |
| 691 | A | A | 0.0198 | |
| 692 | L | A | 0.0000 | |
| 693 | K | A | -0.6805 | |
| 694 | H | A | 0.0000 | |
| 695 | K | A | -1.6569 | |
| 696 | D | A | -1.7567 | |
| 697 | I | A | 0.0000 | |
| 698 | I | A | -0.4269 | |
| 699 | P | A | -0.5405 | |
| 700 | A | A | 0.0000 | |
| 701 | L | A | 0.0000 | |
| 702 | L | A | -0.3569 | |
| 703 | P | A | -1.0536 | |
| 704 | L | A | 0.0000 | |
| 705 | V | A | 0.0000 | |
| 706 | E | A | -2.2040 | |
| 707 | G | A | -1.6171 | |
| 708 | H | A | -1.4988 | |
| 709 | G | A | 0.0000 | |
| 710 | P | A | -1.0354 | |
| 711 | I | A | -0.6932 | |
| 712 | E | A | -2.0265 | |
| 713 | Q | A | -2.0139 | |
| 714 | G | A | -1.3661 | |
| 715 | S | A | -0.7936 | |
| 716 | G | A | -0.2377 | |
| 717 | V | A | 1.1002 | |
| 718 | A | A | 0.3423 | |
| 719 | F | A | 0.0000 | |
| 720 | P | A | 0.0046 | |
| 721 | N | A | -1.0749 | |
| 722 | I | A | 0.3377 | |
| 723 | S | A | 0.0000 | |
| 724 | R | A | -0.8942 | |
| 725 | T | A | 0.0000 | |
| 726 | L | A | 0.4189 | |
| 727 | S | A | 0.0000 | |
| 728 | I | A | 0.0000 | |
| 729 | Y | A | 0.3131 | |
| 730 | A | A | 0.0000 | |
| 731 | I | A | 0.0000 | |
| 732 | G | A | 0.0000 | |
| 733 | N | A | -0.4063 | |
| 734 | V | A | 0.0000 | |
| 735 | R | A | -0.8303 | |
| 736 | V | A | 0.1586 | |
| 737 | H | A | -0.7440 | |
| 738 | H | A | -0.9975 | |
| 739 | P | A | -1.1420 | |
| 740 | E | A | -1.7868 | |
| 741 | L | A | -0.6368 | |
| 742 | V | A | 0.0000 | |
| 743 | L | A | -0.3455 | |
| 744 | P | A | -0.2516 | |
| 745 | I | A | 0.1664 | |
| 746 | I | A | 0.0000 | |
| 747 | L | A | -0.0825 | |
| 748 | S | A | -0.3365 | |
| 749 | V | A | 0.0000 | |
| 750 | Y | A | 0.0000 | |
| 751 | S | A | -0.6191 | |
| 752 | N | A | -1.0063 | |
| 753 | P | A | -1.1783 | |
| 754 | A | A | -0.5773 | |
| 755 | E | A | -1.1698 | |
| 756 | N | A | -1.3101 | |
| 757 | T | A | -1.2665 | |
| 758 | Q | A | -1.1240 | |
| 759 | L | A | 0.0000 | |
| 760 | R | A | 0.0000 | |
| 761 | I | A | -0.6785 | |
| 762 | A | A | 0.0000 | |
| 763 | A | A | 0.0000 | |
| 764 | F | A | 0.0000 | |
| 765 | N | A | -1.0248 | |
| 766 | M | A | -0.6609 | |
| 767 | L | A | 0.0000 | |
| 768 | V | A | -0.8877 | |
| 769 | N | A | -1.7023 | |
| 770 | M | A | -0.8554 | |
| 771 | N | A | -0.9471 | |
| 772 | P | A | 0.0000 | |
| 773 | P | A | -0.4528 | |
| 774 | M | A | -0.5380 | |
| 775 | N | A | -1.5766 | |
| 776 | I | A | -0.9431 | |
| 777 | I | A | 0.0000 | |
| 778 | Q | A | -1.0798 | |
| 779 | K | A | -1.5685 | |
| 780 | I | A | 0.0000 | |
| 781 | A | A | 0.0000 | |
| 782 | A | A | -0.1694 | |
| 783 | M | A | -0.3309 | |
| 784 | T | A | 0.0000 | |
| 785 | W | A | 0.2390 | |
| 786 | S | A | -0.3946 | |
| 787 | E | A | -1.2696 | |
| 788 | K | A | -2.0869 | |
| 789 | N | A | -1.7982 | |
| 790 | T | A | -1.8556 | |
| 791 | E | A | -2.3304 | |
| 792 | V | A | 0.0000 | |
| 793 | L | A | -1.4282 | |
| 794 | K | A | -1.5483 | |
| 795 | K | A | -1.1717 | |
| 796 | T | A | 0.0000 | |
| 797 | Y | A | 0.0000 | |
| 798 | T | A | -0.3374 | |
| 799 | G | A | -0.2790 | |
| 800 | F | A | 0.0000 | |
| 801 | Y | A | -0.5442 | |
| 802 | T | A | -0.6910 | |
| 803 | L | A | -0.7621 | |
| 804 | S | A | 0.0000 | |
| 805 | R | A | -2.0480 | |
| 806 | S | A | -1.5326 | |
| 807 | V | A | -1.0949 | |
| 808 | D | A | -1.0267 | |
| 809 | I | A | 0.6717 | |
| 810 | S | A | -0.4103 | |
| 811 | N | A | -1.3689 | |
| 812 | L | A | -0.0243 | |
| 813 | E | A | -1.8385 | |
| 814 | D | A | -2.1275 | |
| 815 | T | A | -1.3680 | |
| 816 | S | A | -1.3760 | |
| 817 | P | A | -1.5653 | |
| 818 | E | A | -2.3435 | |
| 819 | S | A | -1.5481 | |
| 820 | T | A | -1.1558 | |
| 821 | L | A | 0.0000 | |
| 822 | A | A | 0.0000 | |
| 823 | K | A | -0.2665 | |
| 824 | K | A | -0.3523 | |
| 825 | T | A | 0.0000 | |
| 826 | Q | A | 0.1972 | |
| 827 | L | A | 1.3180 | |
| 828 | V | A | 0.0000 | |
| 829 | V | A | 0.0000 | |
| 830 | P | A | 0.1507 | |
| 831 | L | A | 0.7969 | |
| 832 | M | A | 0.0000 | |
| 833 | R | A | -1.5327 | |
| 834 | K | A | -2.1840 | |
| 835 | T | A | 0.0000 | |
| 836 | S | A | -1.1771 | |
| 837 | G | A | -0.7708 | |
| 838 | V | A | -0.4474 | |
| 839 | L | A | -0.5333 | |
| 840 | Q | A | -1.7312 | |
| 841 | G | A | -1.7079 | |
| 842 | G | A | -1.0553 | |
| 843 | S | A | -0.6802 | |
| 844 | G | A | -0.3306 | |
| 845 | V | A | 1.0696 | |
| 846 | E | A | -0.0660 | |
| 847 | M | A | 1.0119 | |
| 848 | V | A | 1.4820 | |
| 849 | S | A | -0.4967 | |
| 850 | K | A | -2.5207 | |
| 851 | G | A | -2.4706 | |
| 852 | E | A | -3.7016 | |
| 853 | E | A | -3.8429 | |
| 854 | D | A | -3.3438 | |
| 855 | N | A | -1.9170 | |
| 856 | M | A | -1.2699 | |
| 857 | A | A | -1.1504 | |
| 858 | I | A | -0.3009 | |
| 859 | I | A | 0.0000 | |
| 860 | K | A | -1.8619 | |
| 861 | E | A | -1.9636 | |
| 862 | F | A | -0.5736 | |
| 863 | M | A | 0.0000 | |
| 864 | R | A | -2.7922 | |
| 865 | F | A | 0.0000 | |
| 866 | K | A | -2.8872 | |
| 867 | V | A | 0.0000 | |
| 868 | H | A | -2.5242 | |
| 869 | M | A | 0.0000 | |
| 870 | E | A | -3.1384 | |
| 871 | G | A | 0.0000 | |
| 872 | S | A | -1.6881 | |
| 873 | V | A | 0.0000 | |
| 874 | N | A | -0.8082 | |
| 875 | G | A | -1.1951 | |
| 876 | H | A | -1.4063 | |
| 877 | E | A | -2.7675 | |
| 878 | F | A | 0.0000 | |
| 879 | E | A | -2.5310 | |
| 880 | I | A | 0.0000 | |
| 881 | E | A | -2.8642 | |
| 882 | G | A | -2.4289 | |
| 883 | E | A | -3.5167 | |
| 884 | G | A | 0.0000 | |
| 885 | E | A | -2.3475 | |
| 886 | G | A | 0.0000 | |
| 887 | R | A | -2.1206 | |
| 888 | P | A | 0.0000 | |
| 889 | Y | A | -1.4451 | |
| 890 | E | A | -2.4107 | |
| 891 | G | A | 0.0000 | |
| 892 | T | A | -1.2030 | |
| 893 | Q | A | 0.0000 | |
| 894 | T | A | -1.3770 | |
| 895 | A | A | 0.0000 | |
| 896 | K | A | -2.2037 | |
| 897 | L | A | 0.0000 | |
| 898 | K | A | -1.7201 | |
| 899 | V | A | 0.0000 | |
| 900 | T | A | -1.1454 | |
| 901 | K | A | -1.7099 | |
| 902 | G | A | -1.3917 | |
| 903 | G | A | -1.1647 | |
| 904 | P | A | -0.8853 | |
| 905 | L | A | 0.0000 | |
| 906 | P | A | -0.5630 | |
| 907 | F | A | 0.0000 | |
| 908 | A | A | 0.0000 | |
| 909 | W | A | 0.0000 | |
| 910 | D | A | 0.0000 | |
| 911 | I | A | 0.0000 | |
| 912 | L | A | 0.0000 | |
| 913 | S | A | 0.0000 | |
| 914 | P | A | 0.0000 | |
| 915 | Q | A | 0.0000 | |
| 916 | F | A | 0.0000 | |
| 917 | M | A | 0.0000 | |
| 918 | Y | A | 0.0000 | |
| 919 | G | A | 0.0000 | |
| 920 | S | A | 0.0000 | |
| 921 | K | A | 0.0000 | |
| 922 | A | A | 0.0000 | |
| 923 | Y | A | 0.0000 | |
| 924 | V | A | 0.0000 | |
| 925 | K | A | -1.6815 | |
| 926 | H | A | -1.2481 | |
| 927 | P | A | -1.0126 | |
| 928 | A | A | -1.0039 | |
| 929 | D | A | -1.9597 | |
| 930 | I | A | 0.0000 | |
| 931 | P | A | -0.8458 | |
| 932 | D | A | -0.5886 | |
| 933 | Y | A | 0.0000 | |
| 934 | L | A | 0.0000 | |
| 935 | K | A | 0.0000 | |
| 936 | L | A | -0.3192 | |
| 937 | S | A | 0.0000 | |
| 938 | F | A | 0.0000 | |
| 939 | P | A | -0.3545 | |
| 940 | E | A | -0.7838 | |
| 941 | G | A | 0.0000 | |
| 942 | F | A | 0.0000 | |
| 943 | K | A | -1.1676 | |
| 944 | W | A | 0.0000 | |
| 945 | E | A | -0.7804 | |
| 946 | R | A | 0.0000 | |
| 947 | V | A | -0.1378 | |
| 948 | M | A | 0.0000 | |
| 949 | N | A | -0.8006 | |
| 950 | F | A | 0.0000 | |
| 951 | E | A | -1.5723 | |
| 952 | D | A | 0.0000 | |
| 953 | G | A | 0.0000 | |
| 954 | G | A | 0.0000 | |
| 955 | V | A | 0.0000 | |
| 956 | V | A | 0.0000 | |
| 957 | T | A | 0.0000 | |
| 958 | V | A | 0.0000 | |
| 959 | T | A | -1.0183 | |
| 960 | Q | A | 0.0000 | |
| 961 | D | A | -1.2757 | |
| 962 | S | A | 0.0000 | |
| 963 | S | A | 0.0000 | |
| 964 | L | A | -0.5815 | |
| 965 | Q | A | -1.5819 | |
| 966 | D | A | -2.1616 | |
| 967 | G | A | -1.8644 | |
| 968 | E | A | -1.8982 | |
| 969 | F | A | 0.0000 | |
| 970 | I | A | -1.3849 | |
| 971 | Y | A | 0.0000 | |
| 972 | K | A | -2.4694 | |
| 973 | V | A | 0.0000 | |
| 974 | K | A | -2.1343 | |
| 975 | L | A | 0.0000 | |
| 976 | R | A | -1.0469 | |
| 977 | G | A | 0.0000 | |
| 978 | T | A | -0.3222 | |
| 979 | N | A | 0.0000 | |
| 980 | F | A | 0.0000 | |
| 981 | P | A | 0.0000 | |
| 982 | S | A | -0.1669 | |
| 983 | D | A | -0.5848 | |
| 984 | G | A | 0.0000 | |
| 985 | P | A | 0.0000 | |
| 986 | V | A | 0.0000 | |
| 987 | M | A | -0.6199 | |
| 988 | Q | A | -1.2259 | |
| 989 | K | A | -1.5692 | |
| 990 | K | A | -1.8279 | |
| 991 | T | A | 0.0000 | |
| 992 | M | A | -0.3936 | |
| 993 | G | A | -0.5623 | |
| 994 | W | A | 0.0000 | |
| 995 | E | A | -1.2145 | |
| 996 | A | A | -0.6861 | |
| 997 | S | A | 0.0000 | |
| 998 | S | A | -0.8445 | |
| 999 | E | A | 0.0000 | |
| 1000 | R | A | -1.3415 | |
| 1001 | M | A | 0.0000 | |
| 1002 | Y | A | 0.0000 | |
| 1003 | P | A | -1.7333 | |
| 1004 | E | A | -2.9919 | |
| 1005 | D | A | -2.5516 | |
| 1006 | G | A | -1.8844 | |
| 1007 | A | A | 0.0000 | |
| 1008 | L | A | 0.0000 | |
| 1009 | K | A | -1.5486 | |
| 1010 | G | A | 0.0000 | |
| 1011 | E | A | -1.1353 | |
| 1012 | I | A | 0.0000 | |
| 1013 | K | A | -2.3667 | |
| 1014 | Q | A | 0.0000 | |
| 1015 | R | A | -2.1593 | |
| 1016 | L | A | 0.0000 | |
| 1017 | K | A | -1.6253 | |
| 1018 | L | A | 0.0000 | |
| 1019 | K | A | -2.9129 | |
| 1020 | D | A | -2.9608 | |
| 1021 | G | A | -1.9910 | |
| 1022 | G | A | -1.7981 | |
| 1023 | H | A | -1.6637 | |
| 1024 | Y | A | 0.0000 | |
| 1025 | D | A | -1.8708 | |
| 1026 | A | A | 0.0000 | |
| 1027 | E | A | -1.5492 | |
| 1028 | V | A | 0.0000 | |
| 1029 | K | A | -0.8530 | |
| 1030 | T | A | 0.0000 | |
| 1031 | T | A | -0.9512 | |
| 1032 | Y | A | 0.0000 | |
| 1033 | K | A | -1.0123 | |
| 1034 | A | A | -0.6849 | |
| 1035 | K | A | -1.1993 | |
| 1036 | K | A | -0.6627 | |
| 1037 | P | A | 0.0111 | |
| 1038 | V | A | -0.5529 | |
| 1039 | Q | A | -1.1312 | |
| 1040 | L | A | -0.7606 | |
| 1041 | P | A | 0.0000 | |
| 1042 | G | A | -0.8260 | |
| 1043 | A | A | -0.7782 | |
| 1044 | Y | A | 0.0000 | |
| 1045 | N | A | -0.9881 | |
| 1046 | V | A | 0.0000 | |
| 1047 | N | A | 0.0000 | |
| 1048 | I | A | 0.0000 | |
| 1049 | K | A | -1.0376 | |
| 1050 | L | A | 0.0000 | |
| 1051 | D | A | -1.8075 | |
| 1052 | I | A | -0.7353 | |
| 1053 | T | A | -0.8454 | |
| 1054 | S | A | -1.0902 | |
| 1055 | H | A | -1.5497 | |
| 1056 | N | A | -1.6510 | |
| 1057 | E | A | -2.4271 | |
| 1058 | D | A | -1.8424 | |
| 1059 | Y | A | -0.9839 | |
| 1060 | T | A | -0.7749 | |
| 1061 | I | A | -0.8319 | |
| 1062 | V | A | 0.0000 | |
| 1063 | E | A | -1.5596 | |
| 1064 | Q | A | 0.0000 | |
| 1065 | Y | A | -0.7904 | |
| 1066 | E | A | 0.0000 | |
| 1067 | R | A | -1.5922 | |
| 1068 | A | A | 0.0000 | |
| 1069 | E | A | -1.1482 | |
| 1070 | G | A | 0.0000 | |
| 1071 | R | A | -1.2946 | |
| 1072 | H | A | -1.4904 | |
| 1073 | S | A | -1.0341 | |
| 1074 | T | A | -0.6828 | |
| 1075 | G | A | -1.3163 | |
| 1076 | G | A | -1.5374 | |
| 1077 | M | A | -1.2394 | |
| 1078 | D | A | -2.6617 | |
| 1079 | E | A | -2.8624 | |
| 1080 | L | A | -1.4822 | |
| 1081 | Y | A | -0.7566 | |
| 1082 | K | A | -2.4365 | |
| 1083 | G | A | -1.5754 | |
| 1084 | G | A | -0.8230 | |
| 1085 | S | A | -0.7679 | |
| 1086 | G | A | -0.9331 | |
| 1087 | V | A | 0.0958 | |
| 1088 | E | A | -2.0856 | |
| 1089 | H | A | -2.3934 | |
| 1090 | H | A | -2.7352 | |
| 1091 | H | A | -2.9965 | |
| 1092 | H | A | -2.7263 | |
| 1093 | H | A | -2.4165 | |
| 1094 | H | A | -1.9323 |
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 | -0.7062 | 3.0016 | View | CSV | PDB |
| 4.5 | -0.7727 | 2.9596 | View | CSV | PDB |
| 5.0 | -0.8531 | 2.9124 | View | CSV | PDB |
| 5.5 | -0.9293 | 2.8633 | View | CSV | PDB |
| 6.0 | -0.9825 | 2.8135 | View | CSV | PDB |
| 6.5 | -1.0009 | 2.8398 | View | CSV | PDB |
| 7.0 | -0.9873 | 2.9012 | View | CSV | PDB |
| 7.5 | -0.9539 | 2.9688 | View | CSV | PDB |
| 8.0 | -0.9105 | 3.0384 | View | CSV | PDB |
| 8.5 | -0.8605 | 3.1086 | View | CSV | PDB |
| 9.0 | -0.804 | 3.1782 | 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