| Chain sequence(s) |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDEFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH
B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDEFGAIAGFIEGGWTGMVDGWYGYHHQNEQGSGYAADLKSTQNAIDKITNKVNSVIELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSLSQLPRGRQPISDPFAGANDRETGGQATDTPVYNFNSLNNRRYDNYDSDSEDRIDNDQDQAIRENRGEPGQPNNQTSENQQRLNLPVPQCTSGMSSEEFQHSMNQYIRAMHEQYRGSQDDDANDATDGNDISLELVGDFDSHHHHHH input PDB |
| Selected Chain(s) | A,B |
| 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 all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:22:03)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8ed10945afd6b1/tmp/folded.pdb (00:22:03)
[INFO] Main: Simulation completed successfully. (00:31:23)
|
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 | S | A | -0.4336 | |
| 2 | S | A | -0.4723 | |
| 3 | V | A | -0.2404 | |
| 4 | L | A | -0.5659 | |
| 5 | K | A | -1.7202 | |
| 6 | T | A | 0.0000 | |
| 7 | F | A | -1.0674 | |
| 8 | E | A | -1.9701 | |
| 9 | R | A | -2.5004 | |
| 10 | F | A | 0.0000 | |
| 11 | T | A | -1.3564 | |
| 12 | I | A | -1.1882 | |
| 13 | Q | A | -1.7755 | |
| 14 | Q | A | -1.4943 | |
| 15 | E | A | -1.0212 | |
| 16 | L | A | -0.7710 | |
| 17 | Q | A | -2.1059 | |
| 18 | E | A | -1.9684 | |
| 19 | Q | A | -2.2786 | |
| 20 | S | A | -2.4366 | |
| 21 | E | A | -2.9734 | |
| 22 | D | A | -2.5476 | |
| 23 | T | A | -1.4985 | |
| 24 | P | A | 0.1309 | |
| 25 | I | A | 1.1846 | |
| 26 | P | A | 0.5488 | |
| 27 | L | A | -0.2629 | |
| 28 | E | A | -1.7081 | |
| 29 | T | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | R | A | -2.4674 | |
| 32 | P | A | 0.0000 | |
| 33 | T | A | -1.0358 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -1.1100 | |
| 36 | V | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | N | A | -2.3912 | |
| 41 | N | A | -2.7460 | |
| 42 | N | A | -2.4284 | |
| 43 | D | A | -2.1651 | |
| 44 | P | A | -1.4668 | |
| 45 | V | A | 0.0167 | |
| 46 | V | A | -0.3660 | |
| 47 | R | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -0.0982 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | F | A | 0.0000 | |
| 54 | N | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | R | A | -0.9137 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -2.0146 | |
| 62 | T | A | -1.3385 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -1.9412 | |
| 65 | E | A | -1.9462 | |
| 66 | G | A | -1.4053 | |
| 67 | H | A | -1.1186 | |
| 68 | R | A | -1.1636 | |
| 69 | A | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | S | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | S | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | P | A | -0.0685 | |
| 80 | S | A | -0.3720 | |
| 81 | A | A | -0.8411 | |
| 82 | A | A | -1.0471 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.4762 | |
| 85 | N | A | -1.7213 | |
| 86 | H | A | -1.0801 | |
| 87 | I | A | 0.0000 | |
| 88 | K | A | -1.8159 | |
| 89 | L | A | -0.7293 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | -0.6272 | |
| 92 | H | A | -0.8174 | |
| 93 | S | A | 0.0000 | |
| 94 | P | A | -1.0449 | |
| 95 | E | A | -1.2326 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -1.1300 | |
| 98 | I | A | 0.0000 | |
| 99 | D | A | -1.5333 | |
| 100 | R | A | -1.8734 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | -1.2198 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | -0.5574 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | -0.7511 | |
| 107 | E | A | -1.9027 | |
| 108 | N | A | -2.4121 | |
| 109 | N | A | -2.4807 | |
| 110 | S | A | -1.8093 | |
| 111 | F | A | 0.0000 | |
| 112 | R | A | -1.2145 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.1177 | |
| 115 | P | A | -0.4194 | |
| 116 | D | A | -0.8870 | |
| 117 | A | A | -0.9320 | |
| 118 | R | A | -1.9847 | |
| 119 | T | A | -1.2545 | |
| 120 | S | A | -0.8135 | |
| 121 | T | A | -0.8680 | |
| 122 | M | A | -0.7249 | |
| 123 | S | A | -1.3389 | |
| 124 | R | A | -2.1286 | |
| 125 | G | A | -1.5612 | |
| 126 | E | A | -1.3294 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | -0.4812 | |
| 129 | A | A | -0.6051 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -0.8134 | |
| 132 | A | A | -0.7517 | |
| 133 | L | A | -1.0251 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.3952 | |
| 136 | D | A | -2.0985 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | -1.8180 | |
| 139 | D | A | -2.1793 | |
| 140 | E | A | -1.7887 | |
| 141 | F | A | 1.0055 | |
| 142 | G | A | 0.0954 | |
| 143 | A | A | 0.4682 | |
| 144 | I | A | 1.4524 | |
| 145 | A | A | 0.4888 | |
| 146 | G | A | -0.4841 | |
| 147 | F | A | 0.3168 | |
| 148 | I | A | 0.8879 | |
| 149 | E | A | -1.1990 | |
| 150 | G | A | -0.8281 | |
| 151 | G | A | -0.1774 | |
| 152 | W | A | 0.2541 | |
| 153 | T | A | -0.4048 | |
| 154 | G | A | -0.3321 | |
| 155 | M | A | 0.0689 | |
| 156 | V | A | 0.0707 | |
| 157 | D | A | -0.9509 | |
| 158 | G | A | -0.3778 | |
| 159 | W | A | 0.5226 | |
| 160 | Y | A | 0.8424 | |
| 161 | G | A | 0.1221 | |
| 162 | Y | A | 0.2608 | |
| 163 | H | A | -1.1251 | |
| 164 | H | A | -2.3900 | |
| 165 | Q | A | -3.0955 | |
| 166 | N | A | -3.6950 | |
| 167 | E | A | -3.5765 | |
| 168 | Q | A | -2.9828 | |
| 169 | G | A | -1.9304 | |
| 170 | S | A | -1.1684 | |
| 171 | G | A | -0.8606 | |
| 172 | Y | A | 0.5271 | |
| 173 | A | A | 0.3964 | |
| 174 | A | A | -0.2386 | |
| 175 | D | A | -0.9419 | |
| 176 | L | A | -0.2016 | |
| 177 | K | A | -1.9990 | |
| 178 | S | A | -1.3459 | |
| 179 | T | A | -0.8683 | |
| 180 | Q | A | -1.6487 | |
| 181 | N | A | -1.7275 | |
| 182 | A | A | 0.0000 | |
| 183 | I | A | -0.4846 | |
| 184 | D | A | -2.4531 | |
| 185 | K | A | -2.7642 | |
| 186 | I | A | -1.3393 | |
| 187 | T | A | -1.7737 | |
| 188 | N | A | -2.5568 | |
| 189 | K | A | -2.1343 | |
| 190 | V | A | -0.6379 | |
| 191 | N | A | -1.7194 | |
| 192 | S | A | -1.1357 | |
| 193 | V | A | 0.0000 | |
| 194 | I | A | 0.7371 | |
| 195 | E | A | -1.4102 | |
| 196 | L | A | -0.5310 | |
| 197 | T | A | -0.8873 | |
| 198 | L | A | 0.0000 | |
| 199 | N | A | -2.6255 | |
| 200 | H | A | -2.6175 | |
| 201 | Q | A | -2.6536 | |
| 202 | T | A | 0.0000 | |
| 203 | P | A | 0.0000 | |
| 204 | F | A | 0.0000 | |
| 205 | V | A | -0.2676 | |
| 206 | N | A | -1.4031 | |
| 207 | L | A | -0.6522 | |
| 208 | Q | A | -1.8669 | |
| 209 | N | A | -2.7094 | |
| 210 | D | A | -2.7691 | |
| 211 | V | A | 0.0000 | |
| 212 | E | A | -1.5613 | |
| 213 | D | A | -2.3474 | |
| 214 | D | A | -0.9137 | |
| 215 | I | A | 0.6573 | |
| 216 | F | A | 0.0000 | |
| 217 | D | A | -2.1586 | |
| 218 | E | A | -2.7664 | |
| 219 | T | A | -2.4703 | |
| 220 | E | A | -2.9382 | |
| 221 | K | A | -2.2487 | |
| 222 | F | A | 0.0000 | |
| 223 | L | A | -1.0409 | |
| 224 | D | A | -1.1792 | |
| 225 | V | A | 0.0000 | |
| 226 | C | A | 0.0000 | |
| 227 | Y | A | 0.0000 | |
| 228 | S | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | L | A | 0.0000 | |
| 231 | M | A | 0.0000 | |
| 232 | Q | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | W | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | T | A | 0.0000 | |
| 238 | C | A | 0.0820 | |
| 239 | K | A | 0.0000 | |
| 240 | C | A | -0.1924 | |
| 241 | M | A | -0.1372 | |
| 242 | T | A | -0.5750 | |
| 243 | A | A | -1.1238 | |
| 244 | P | A | -1.7819 | |
| 245 | D | A | -2.4951 | |
| 246 | Q | A | -1.9975 | |
| 247 | P | A | -0.8590 | |
| 248 | P | A | -0.3568 | |
| 249 | V | A | 0.6883 | |
| 250 | S | A | -0.5469 | |
| 251 | V | A | 0.0000 | |
| 252 | A | A | -0.4711 | |
| 253 | K | A | -1.6149 | |
| 254 | R | A | -1.3046 | |
| 255 | M | A | 0.0000 | |
| 256 | A | A | -1.6656 | |
| 257 | K | A | -2.2374 | |
| 258 | Y | A | 0.0000 | |
| 259 | Q | A | -1.9547 | |
| 260 | Q | A | -2.4555 | |
| 261 | Q | A | -2.4045 | |
| 262 | G | A | -1.8308 | |
| 263 | R | A | -1.5718 | |
| 264 | I | A | 0.0000 | |
| 265 | N | A | -0.7529 | |
| 266 | A | A | -0.1194 | |
| 267 | C | A | 0.6163 | |
| 268 | R | A | -0.3405 | |
| 269 | Y | A | 0.0000 | |
| 270 | V | A | 0.2522 | |
| 271 | L | A | 0.0000 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.7277 | |
| 274 | E | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | Q | A | -0.5701 | |
| 277 | R | A | -0.7908 | |
| 278 | L | A | -0.3957 | |
| 279 | I | A | 0.0000 | |
| 280 | Q | A | -0.7506 | |
| 281 | N | A | -1.0442 | |
| 282 | A | A | 0.0000 | |
| 283 | I | A | 0.0000 | |
| 284 | R | A | -1.2406 | |
| 285 | K | A | -1.7508 | |
| 286 | S | A | 0.0000 | |
| 287 | M | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | V | A | 0.0000 | |
| 290 | R | A | 0.0000 | |
| 291 | H | A | 0.0000 | |
| 292 | F | A | 0.0000 | |
| 293 | M | A | 0.0000 | |
| 294 | T | A | 0.0000 | |
| 295 | Y | A | 0.1923 | |
| 296 | E | A | 0.0000 | |
| 297 | L | A | 0.0000 | |
| 298 | Q | A | -0.3623 | |
| 299 | L | A | -0.0080 | |
| 300 | S | A | -0.5319 | |
| 301 | Q | A | -0.7545 | |
| 302 | S | A | -0.7879 | |
| 303 | R | A | -1.4465 | |
| 304 | S | A | -0.0785 | |
| 305 | L | A | 1.5610 | |
| 306 | L | A | 1.5719 | |
| 307 | A | A | 0.0478 | |
| 308 | N | A | -1.2578 | |
| 309 | R | A | -1.5770 | |
| 310 | Y | A | 0.0000 | |
| 311 | Y | A | -0.4885 | |
| 312 | A | A | -0.4037 | |
| 313 | M | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | G | A | -0.5244 | |
| 316 | D | A | -0.5605 | |
| 317 | I | A | 0.0000 | |
| 318 | G | A | 0.0000 | |
| 319 | K | A | -0.9540 | |
| 320 | Y | A | -0.6497 | |
| 321 | I | A | 0.0000 | |
| 322 | E | A | -0.6497 | |
| 323 | H | A | -0.6654 | |
| 324 | S | A | -0.5666 | |
| 325 | G | A | -0.4954 | |
| 326 | M | A | 0.0000 | |
| 327 | G | A | -0.2109 | |
| 328 | G | A | -0.0900 | |
| 329 | F | A | 0.0000 | |
| 330 | F | A | 0.0737 | |
| 331 | L | A | -0.1227 | |
| 332 | T | A | 0.0000 | |
| 333 | L | A | -0.4197 | |
| 334 | K | A | -1.5690 | |
| 335 | Y | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | L | A | -0.6747 | |
| 338 | G | A | -1.1911 | |
| 339 | T | A | -1.4061 | |
| 340 | R | A | -2.3293 | |
| 341 | W | A | -1.0541 | |
| 342 | P | A | -1.2477 | |
| 343 | T | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | F | A | 0.0000 | |
| 350 | S | A | -0.4702 | |
| 351 | G | A | -0.6378 | |
| 352 | E | A | 0.0000 | |
| 353 | L | A | -0.3045 | |
| 354 | Q | A | -0.7454 | |
| 355 | K | A | -0.7729 | |
| 356 | L | A | 0.0000 | |
| 357 | K | A | -0.8698 | |
| 358 | A | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | M | A | 0.0412 | |
| 361 | L | A | 0.2347 | |
| 362 | H | A | 0.0000 | |
| 363 | Y | A | -0.2058 | |
| 364 | Q | A | -0.8238 | |
| 365 | S | A | -0.5080 | |
| 366 | L | A | -0.4430 | |
| 367 | G | A | -0.5155 | |
| 368 | P | A | -0.5601 | |
| 369 | M | A | -0.2823 | |
| 370 | A | A | 0.0000 | |
| 371 | K | A | -0.6550 | |
| 372 | Y | A | 0.0000 | |
| 373 | M | A | 0.0000 | |
| 374 | A | A | -0.3272 | |
| 375 | L | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | E | A | -0.5740 | |
| 378 | S | A | 0.0000 | |
| 379 | P | A | -0.1223 | |
| 380 | K | A | 0.0000 | |
| 381 | L | A | 0.1217 | |
| 382 | M | A | 0.2206 | |
| 383 | D | A | -0.1814 | |
| 384 | F | A | 0.0000 | |
| 385 | V | A | 0.2504 | |
| 386 | P | A | 0.0000 | |
| 387 | S | A | -0.7052 | |
| 388 | E | A | -0.2048 | |
| 389 | Y | A | 0.0000 | |
| 390 | P | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | Y | A | 0.0000 | |
| 394 | S | A | 0.0000 | |
| 395 | Y | A | 0.0000 | |
| 396 | A | A | 0.0000 | |
| 397 | M | A | 0.0000 | |
| 398 | G | A | 0.0000 | |
| 399 | I | A | 0.0000 | |
| 400 | G | A | 0.0000 | |
| 401 | T | A | 0.0000 | |
| 402 | V | A | 0.5501 | |
| 403 | L | A | 0.8325 | |
| 404 | D | A | 0.1566 | |
| 405 | T | A | -0.4264 | |
| 406 | N | A | -1.4000 | |
| 407 | M | A | 0.0000 | |
| 408 | R | A | -2.4526 | |
| 409 | N | A | -2.7589 | |
| 410 | Y | A | -1.2835 | |
| 411 | A | A | -0.8380 | |
| 412 | Y | A | -0.6441 | |
| 413 | G | A | -0.9859 | |
| 414 | R | A | -1.5527 | |
| 415 | S | A | -1.4745 | |
| 416 | Y | A | 0.0000 | |
| 417 | L | A | -0.3470 | |
| 418 | N | A | -0.4551 | |
| 419 | P | A | -0.2119 | |
| 420 | Q | A | -0.7529 | |
| 421 | Y | A | 0.0000 | |
| 422 | F | A | -0.1371 | |
| 423 | Q | A | -0.5170 | |
| 424 | L | A | 0.0000 | |
| 425 | G | A | 0.0000 | |
| 426 | V | A | 0.0671 | |
| 427 | E | A | -0.7656 | |
| 428 | T | A | 0.0000 | |
| 429 | A | A | 0.0000 | |
| 430 | R | A | -1.6312 | |
| 431 | K | A | -1.6173 | |
| 432 | Q | A | -1.4545 | |
| 433 | Q | A | -1.2131 | |
| 434 | G | A | -0.9004 | |
| 435 | A | A | -0.9952 | |
| 436 | V | A | -1.6414 | |
| 437 | D | A | -3.4546 | |
| 438 | N | A | -3.7605 | |
| 439 | R | A | -4.0479 | |
| 440 | T | A | -2.8306 | |
| 441 | A | A | 0.0000 | |
| 442 | E | A | -3.6745 | |
| 443 | D | A | -2.9648 | |
| 444 | L | A | -0.7196 | |
| 445 | G | A | -1.3521 | |
| 446 | M | A | -1.1966 | |
| 447 | T | A | -0.7582 | |
| 448 | A | A | -0.5730 | |
| 449 | A | A | -0.8870 | |
| 450 | D | A | -1.5544 | |
| 451 | K | A | -1.4256 | |
| 452 | A | A | -1.0059 | |
| 453 | D | A | -1.8736 | |
| 454 | L | A | -0.6561 | |
| 455 | T | A | -0.6601 | |
| 456 | A | A | -0.8246 | |
| 457 | T | A | -0.3544 | |
| 458 | I | A | 0.0485 | |
| 459 | S | A | -0.4834 | |
| 460 | K | A | -0.7239 | |
| 461 | L | A | 0.7284 | |
| 462 | S | A | 0.3882 | |
| 463 | L | A | 1.2973 | |
| 464 | S | A | 0.3756 | |
| 465 | Q | A | -0.3070 | |
| 466 | L | A | 0.5969 | |
| 467 | P | A | -1.2953 | |
| 468 | R | A | -2.5963 | |
| 469 | G | A | -2.5196 | |
| 470 | R | A | -2.7147 | |
| 471 | Q | A | -2.0874 | |
| 472 | P | A | -0.7401 | |
| 473 | I | A | 0.6951 | |
| 474 | S | A | -0.0998 | |
| 475 | D | A | -0.4692 | |
| 476 | P | A | 0.0641 | |
| 477 | F | A | 0.7999 | |
| 478 | A | A | -0.2967 | |
| 479 | G | A | -1.1929 | |
| 480 | A | A | -1.2169 | |
| 481 | N | A | -2.8988 | |
| 482 | D | A | -3.9670 | |
| 483 | R | A | -4.1181 | |
| 484 | E | A | -3.7064 | |
| 485 | T | A | -2.1109 | |
| 486 | G | A | -1.6621 | |
| 487 | G | A | -1.4601 | |
| 488 | Q | A | -1.5084 | |
| 489 | A | A | -1.1223 | |
| 490 | T | A | -1.3069 | |
| 491 | D | A | -1.7109 | |
| 492 | T | A | -0.4564 | |
| 493 | P | A | -0.1923 | |
| 494 | V | A | 1.6741 | |
| 495 | Y | A | 0.8332 | |
| 496 | N | A | -0.4236 | |
| 497 | F | A | 1.2926 | |
| 498 | N | A | -0.5448 | |
| 499 | S | A | -0.2696 | |
| 500 | L | A | 0.3344 | |
| 501 | N | A | -1.9325 | |
| 502 | N | A | -2.7476 | |
| 503 | R | A | -3.3938 | |
| 504 | R | A | -3.2130 | |
| 505 | Y | A | -1.0617 | |
| 506 | D | A | -2.4137 | |
| 507 | N | A | -1.9541 | |
| 508 | Y | A | -0.5501 | |
| 509 | D | A | -2.1524 | |
| 510 | S | A | -1.9042 | |
| 511 | D | A | -2.8920 | |
| 512 | S | A | -2.8541 | |
| 513 | E | A | -3.6312 | |
| 514 | D | A | -3.7132 | |
| 515 | R | A | -3.2790 | |
| 516 | I | A | -1.9875 | |
| 517 | D | A | -2.9781 | |
| 518 | N | A | -3.1265 | |
| 519 | D | A | -3.6235 | |
| 520 | Q | A | -4.0358 | |
| 521 | D | A | -3.4267 | |
| 522 | Q | A | -2.4294 | |
| 523 | A | A | -1.1669 | |
| 524 | I | A | -0.3313 | |
| 525 | R | A | -2.5553 | |
| 526 | E | A | -3.2143 | |
| 527 | N | A | -3.6682 | |
| 528 | R | A | -3.7702 | |
| 529 | G | A | -2.7163 | |
| 530 | E | A | -2.4914 | |
| 531 | P | A | -1.6568 | |
| 532 | G | A | -1.6431 | |
| 533 | Q | A | -2.4774 | |
| 534 | P | A | -2.2155 | |
| 535 | N | A | -2.7690 | |
| 536 | N | A | -2.6905 | |
| 537 | Q | A | -2.1769 | |
| 538 | T | A | -1.6094 | |
| 539 | S | A | -1.6761 | |
| 540 | E | A | -2.9338 | |
| 541 | N | A | -3.3175 | |
| 542 | Q | A | -3.0903 | |
| 543 | Q | A | -2.9331 | |
| 544 | R | A | -2.4413 | |
| 545 | L | A | -0.1494 | |
| 546 | N | A | -0.6749 | |
| 547 | L | A | 0.8620 | |
| 548 | P | A | 0.6869 | |
| 549 | V | A | 1.6573 | |
| 550 | P | A | 0.5333 | |
| 551 | Q | A | -0.3391 | |
| 552 | C | A | 0.0985 | |
| 553 | T | A | -0.1107 | |
| 554 | S | A | -0.3339 | |
| 555 | G | A | -0.4501 | |
| 556 | M | A | -0.6966 | |
| 557 | S | A | -1.3324 | |
| 558 | S | A | -1.7437 | |
| 559 | E | A | -3.0662 | |
| 560 | E | A | -2.8440 | |
| 561 | F | A | -1.8483 | |
| 562 | Q | A | -2.8267 | |
| 563 | H | A | -2.9561 | |
| 564 | S | A | -1.8039 | |
| 565 | M | A | -1.3555 | |
| 566 | N | A | -2.4581 | |
| 567 | Q | A | -2.2948 | |
| 568 | Y | A | -0.6889 | |
| 569 | I | A | -0.7745 | |
| 570 | R | A | -2.6500 | |
| 571 | A | A | -1.8427 | |
| 572 | M | A | -1.3408 | |
| 573 | H | A | -2.4362 | |
| 574 | E | A | -3.2229 | |
| 575 | Q | A | -2.4364 | |
| 576 | Y | A | -1.6091 | |
| 577 | R | A | -3.2365 | |
| 578 | G | A | -3.2208 | |
| 579 | S | A | -2.9171 | |
| 580 | Q | A | -3.6132 | |
| 581 | D | A | -4.3869 | |
| 582 | D | A | -4.3728 | |
| 583 | D | A | -4.1769 | |
| 584 | A | A | -3.0850 | |
| 585 | N | A | -3.3680 | |
| 586 | D | A | -2.9512 | |
| 587 | A | A | -1.8933 | |
| 588 | T | A | -1.7604 | |
| 589 | D | A | -2.5309 | |
| 590 | G | A | -2.0884 | |
| 591 | N | A | -2.1528 | |
| 592 | D | A | -1.3379 | |
| 593 | I | A | 0.8503 | |
| 594 | S | A | 0.6101 | |
| 595 | L | A | 1.5784 | |
| 596 | E | A | 0.2804 | |
| 597 | L | A | 1.7334 | |
| 598 | V | A | 1.7192 | |
| 599 | G | A | 0.0952 | |
| 600 | D | A | -1.0125 | |
| 601 | F | A | 0.1789 | |
| 602 | D | A | -1.6149 | |
| 603 | S | A | -1.4395 | |
| 604 | H | A | -2.1878 | |
| 605 | H | A | -2.2600 | |
| 606 | H | A | -2.4207 | |
| 607 | H | A | -2.4193 | |
| 608 | H | A | -2.2028 | |
| 609 | H | A | -1.6888 | |
| 1 | S | B | -0.0269 | |
| 2 | S | B | 0.5015 | |
| 3 | V | B | 1.9136 | |
| 4 | L | B | 1.4566 | |
| 5 | K | B | -0.7748 | |
| 6 | T | B | 0.2066 | |
| 7 | F | B | 0.8642 | |
| 8 | E | B | -1.0286 | |
| 9 | R | B | -1.4677 | |
| 10 | F | B | 0.4763 | |
| 11 | T | B | 0.0000 | |
| 12 | I | B | -0.8799 | |
| 13 | Q | B | -1.7802 | |
| 14 | Q | B | -2.1411 | |
| 15 | E | B | -1.8485 | |
| 16 | L | B | -1.4879 | |
| 17 | Q | B | -2.8091 | |
| 18 | E | B | -3.6584 | |
| 19 | Q | B | -3.2956 | |
| 20 | S | B | -2.9769 | |
| 21 | E | B | -3.1884 | |
| 22 | D | B | -2.8321 | |
| 23 | T | B | -1.7978 | |
| 24 | P | B | 0.0949 | |
| 25 | I | B | 1.3828 | |
| 26 | P | B | 0.8993 | |
| 27 | L | B | 1.2402 | |
| 28 | E | B | -0.8198 | |
| 29 | T | B | -0.2799 | |
| 30 | I | B | 0.6047 | |
| 31 | R | B | -1.5283 | |
| 32 | P | B | -0.9356 | |
| 33 | T | B | -0.9956 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -1.2486 | |
| 36 | V | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | N | B | -2.0081 | |
| 41 | N | B | -1.9652 | |
| 42 | N | B | -2.1817 | |
| 43 | D | B | -1.7349 | |
| 44 | P | B | -0.8940 | |
| 45 | V | B | 0.1945 | |
| 46 | V | B | -0.2734 | |
| 47 | R | B | 0.0000 | |
| 48 | S | B | 0.0000 | |
| 49 | R | B | -0.1116 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | F | B | 0.0000 | |
| 53 | F | B | 0.0000 | |
| 54 | N | B | 0.0000 | |
| 55 | L | B | 0.0000 | |
| 56 | R | B | -0.9632 | |
| 57 | I | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | M | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | N | B | -2.0293 | |
| 62 | T | B | -1.3810 | |
| 63 | A | B | 0.0000 | |
| 64 | R | B | -2.8450 | |
| 65 | E | B | -2.7542 | |
| 66 | G | B | -1.9449 | |
| 67 | H | B | -1.6093 | |
| 68 | R | B | -1.6514 | |
| 69 | A | B | 0.0000 | |
| 70 | G | B | 0.0000 | |
| 71 | A | B | 0.0000 | |
| 72 | L | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | S | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | S | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | P | B | 0.0000 | |
| 80 | S | B | 0.0000 | |
| 81 | A | B | -1.4722 | |
| 82 | A | B | -1.1515 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.2258 | |
| 85 | N | B | -1.3266 | |
| 86 | H | B | 0.0000 | |
| 87 | I | B | 0.0000 | |
| 88 | K | B | -1.4254 | |
| 89 | L | B | -0.5782 | |
| 90 | A | B | 0.0000 | |
| 91 | M | B | -0.4700 | |
| 92 | H | B | -0.9717 | |
| 93 | S | B | 0.0000 | |
| 94 | P | B | -1.1785 | |
| 95 | E | B | -1.3024 | |
| 96 | A | B | 0.0000 | |
| 97 | S | B | -1.0339 | |
| 98 | I | B | 0.0000 | |
| 99 | D | B | -1.7461 | |
| 100 | R | B | -1.7566 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | -1.1722 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | -0.3490 | |
| 105 | G | B | 0.0000 | |
| 106 | F | B | -0.7303 | |
| 107 | E | B | -1.7483 | |
| 108 | N | B | -2.3326 | |
| 109 | N | B | -2.4212 | |
| 110 | S | B | -1.7916 | |
| 111 | F | B | 0.0000 | |
| 112 | R | B | -1.1167 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.1044 | |
| 115 | P | B | -0.4222 | |
| 116 | D | B | -0.8755 | |
| 117 | A | B | -0.9426 | |
| 118 | R | B | -1.9667 | |
| 119 | T | B | -1.1845 | |
| 120 | S | B | -0.7638 | |
| 121 | T | B | -0.8804 | |
| 122 | M | B | -0.7408 | |
| 123 | S | B | -1.3282 | |
| 124 | R | B | -2.1007 | |
| 125 | G | B | -1.5458 | |
| 126 | E | B | -1.3525 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | -0.4306 | |
| 129 | A | B | -0.6326 | |
| 130 | F | B | 0.0000 | |
| 131 | E | B | -1.0655 | |
| 132 | A | B | -0.8216 | |
| 133 | L | B | -1.1450 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -2.3665 | |
| 136 | D | B | -2.0106 | |
| 137 | I | B | 0.0000 | |
| 138 | P | B | 0.0000 | |
| 139 | D | B | -1.8131 | |
| 140 | E | B | -1.4889 | |
| 141 | F | B | 1.1408 | |
| 142 | G | B | 0.4259 | |
| 143 | A | B | 0.2760 | |
| 144 | I | B | 1.3504 | |
| 145 | A | B | 0.3512 | |
| 146 | G | B | -0.3510 | |
| 147 | F | B | 0.2796 | |
| 148 | I | B | 0.5133 | |
| 149 | E | B | -1.3251 | |
| 150 | G | B | -1.0406 | |
| 151 | G | B | -0.5516 | |
| 152 | W | B | 0.0676 | |
| 153 | T | B | -0.5525 | |
| 154 | G | B | -0.8598 | |
| 155 | M | B | -0.0297 | |
| 156 | V | B | -0.0643 | |
| 157 | D | B | -1.0887 | |
| 158 | G | B | -0.4444 | |
| 159 | W | B | 0.5745 | |
| 160 | Y | B | 0.7856 | |
| 161 | G | B | 0.0826 | |
| 162 | Y | B | 0.1722 | |
| 163 | H | B | -1.2004 | |
| 164 | H | B | -2.3792 | |
| 165 | Q | B | -3.2513 | |
| 166 | N | B | -3.6766 | |
| 167 | E | B | -3.5766 | |
| 168 | Q | B | -2.9671 | |
| 169 | G | B | -1.9409 | |
| 170 | S | B | -1.0860 | |
| 171 | G | B | -0.6502 | |
| 172 | Y | B | 0.6112 | |
| 173 | A | B | 0.2532 | |
| 174 | A | B | -0.4156 | |
| 175 | D | B | -1.5100 | |
| 176 | L | B | -0.5233 | |
| 177 | K | B | -2.0714 | |
| 178 | S | B | -1.4715 | |
| 179 | T | B | -1.0447 | |
| 180 | Q | B | -1.7577 | |
| 181 | N | B | -2.0715 | |
| 182 | A | B | 0.0000 | |
| 183 | I | B | -0.3773 | |
| 184 | D | B | -2.1748 | |
| 185 | K | B | -2.6373 | |
| 186 | I | B | -1.1040 | |
| 187 | T | B | -1.3793 | |
| 188 | N | B | -2.6107 | |
| 189 | K | B | -1.9030 | |
| 190 | V | B | -0.6856 | |
| 191 | N | B | -1.9310 | |
| 192 | S | B | -1.5643 | |
| 193 | V | B | 0.0000 | |
| 194 | I | B | 0.0580 | |
| 195 | E | B | -1.8459 | |
| 196 | L | B | -0.8350 | |
| 197 | T | B | 0.0000 | |
| 198 | L | B | 0.0000 | |
| 199 | N | B | -2.2583 | |
| 200 | H | B | -2.6660 | |
| 201 | Q | B | -2.9965 | |
| 202 | T | B | 0.0000 | |
| 203 | P | B | 0.0000 | |
| 204 | F | B | 0.0000 | |
| 205 | V | B | 0.5392 | |
| 206 | N | B | -1.0598 | |
| 207 | L | B | -0.7204 | |
| 208 | Q | B | -1.9264 | |
| 209 | N | B | -2.8861 | |
| 210 | D | B | -3.0033 | |
| 211 | V | B | 0.0000 | |
| 212 | E | B | 0.0000 | |
| 213 | D | B | -2.4561 | |
| 214 | D | B | -1.2087 | |
| 215 | I | B | 0.7519 | |
| 216 | F | B | 0.0000 | |
| 217 | D | B | -1.4547 | |
| 218 | E | B | -1.4350 | |
| 219 | T | B | -1.5825 | |
| 220 | E | B | -1.7312 | |
| 221 | K | B | -1.2746 | |
| 222 | F | B | 0.0000 | |
| 223 | L | B | 0.0000 | |
| 224 | D | B | -0.9022 | |
| 225 | V | B | 0.0000 | |
| 226 | C | B | 0.0000 | |
| 227 | Y | B | 0.0000 | |
| 228 | S | B | 0.0000 | |
| 229 | V | B | 0.0000 | |
| 230 | L | B | 0.0000 | |
| 231 | M | B | 0.0000 | |
| 232 | Q | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | W | B | 0.0000 | |
| 235 | I | B | 0.0000 | |
| 236 | V | B | 0.0000 | |
| 237 | T | B | 0.0000 | |
| 238 | C | B | 0.0000 | |
| 239 | K | B | 0.0000 | |
| 240 | C | B | -0.2930 | |
| 241 | M | B | -0.1996 | |
| 242 | T | B | -0.9307 | |
| 243 | A | B | -1.0828 | |
| 244 | P | B | -1.3882 | |
| 245 | D | B | -2.2049 | |
| 246 | Q | B | -1.3398 | |
| 247 | P | B | -0.5278 | |
| 248 | P | B | -0.2226 | |
| 249 | V | B | 0.9820 | |
| 250 | S | B | -0.3253 | |
| 251 | V | B | 0.0000 | |
| 252 | A | B | -0.4228 | |
| 253 | K | B | -1.6401 | |
| 254 | R | B | -1.2886 | |
| 255 | M | B | 0.0000 | |
| 256 | A | B | -1.4228 | |
| 257 | K | B | -1.7102 | |
| 258 | Y | B | 0.0000 | |
| 259 | Q | B | -1.6569 | |
| 260 | Q | B | -2.1558 | |
| 261 | Q | B | -2.2163 | |
| 262 | G | B | -1.6763 | |
| 263 | R | B | 0.0000 | |
| 264 | I | B | 0.0000 | |
| 265 | N | B | -0.9583 | |
| 266 | A | B | -0.3003 | |
| 267 | C | B | 0.0996 | |
| 268 | R | B | -1.2687 | |
| 269 | Y | B | 0.0000 | |
| 270 | V | B | 0.2414 | |
| 271 | L | B | 0.0000 | |
| 272 | Q | B | 0.0000 | |
| 273 | P | B | -0.5660 | |
| 274 | E | B | 0.0000 | |
| 275 | A | B | 0.0000 | |
| 276 | Q | B | -0.5816 | |
| 277 | R | B | -0.9075 | |
| 278 | L | B | -0.4674 | |
| 279 | I | B | 0.0000 | |
| 280 | Q | B | -0.9173 | |
| 281 | N | B | -1.3430 | |
| 282 | A | B | 0.0000 | |
| 283 | I | B | 0.0000 | |
| 284 | R | B | -1.4562 | |
| 285 | K | B | -2.3065 | |
| 286 | S | B | 0.0000 | |
| 287 | M | B | -0.7849 | |
| 288 | V | B | 0.0000 | |
| 289 | V | B | 0.0000 | |
| 290 | R | B | 0.0000 | |
| 291 | H | B | -0.1568 | |
| 292 | F | B | 0.0000 | |
| 293 | M | B | 0.0000 | |
| 294 | T | B | 0.0000 | |
| 295 | Y | B | 0.3207 | |
| 296 | E | B | 0.0000 | |
| 297 | L | B | 0.0000 | |
| 298 | Q | B | -0.0719 | |
| 299 | L | B | 0.0000 | |
| 300 | S | B | 0.0703 | |
| 301 | Q | B | 0.0000 | |
| 302 | S | B | -0.7121 | |
| 303 | R | B | -1.3023 | |
| 304 | S | B | -0.3791 | |
| 305 | L | B | 0.0000 | |
| 306 | L | B | -0.2082 | |
| 307 | A | B | -0.3661 | |
| 308 | N | B | -0.8691 | |
| 309 | R | B | -0.6432 | |
| 310 | Y | B | 0.0000 | |
| 311 | Y | B | 0.0000 | |
| 312 | A | B | 0.0000 | |
| 313 | M | B | 0.0000 | |
| 314 | V | B | 0.0000 | |
| 315 | G | B | 0.0000 | |
| 316 | D | B | 0.0000 | |
| 317 | I | B | 0.0000 | |
| 318 | G | B | 0.0000 | |
| 319 | K | B | -0.6959 | |
| 320 | Y | B | -0.6502 | |
| 321 | I | B | 0.0000 | |
| 322 | E | B | -0.5766 | |
| 323 | H | B | -0.5978 | |
| 324 | S | B | -0.9796 | |
| 325 | G | B | -1.0138 | |
| 326 | M | B | 0.0000 | |
| 327 | G | B | -0.9483 | |
| 328 | G | B | -0.0200 | |
| 329 | F | B | 0.0000 | |
| 330 | F | B | 0.0535 | |
| 331 | L | B | 0.0571 | |
| 332 | T | B | 0.0000 | |
| 333 | L | B | 0.0000 | |
| 334 | K | B | -0.5574 | |
| 335 | Y | B | 0.0000 | |
| 336 | G | B | 0.0000 | |
| 337 | L | B | 0.0000 | |
| 338 | G | B | 0.0000 | |
| 339 | T | B | 0.0000 | |
| 340 | R | B | -0.6072 | |
| 341 | W | B | 0.0000 | |
| 342 | P | B | -0.2803 | |
| 343 | T | B | 0.0352 | |
| 344 | L | B | 0.0000 | |
| 345 | A | B | 0.2349 | |
| 346 | L | B | 0.6174 | |
| 347 | A | B | 0.2759 | |
| 348 | A | B | 0.2100 | |
| 349 | F | B | 0.0000 | |
| 350 | S | B | -0.2339 | |
| 351 | G | B | -0.5429 | |
| 352 | E | B | -0.6602 | |
| 353 | L | B | -0.2495 | |
| 354 | Q | B | 0.0000 | |
| 355 | K | B | -0.9728 | |
| 356 | L | B | 0.0000 | |
| 357 | K | B | -0.1947 | |
| 358 | A | B | 0.0000 | |
| 359 | L | B | 0.0000 | |
| 360 | M | B | 0.0000 | |
| 361 | L | B | 0.0416 | |
| 362 | H | B | 0.0000 | |
| 363 | Y | B | 0.0000 | |
| 364 | Q | B | -0.3657 | |
| 365 | S | B | -0.5505 | |
| 366 | L | B | -0.2485 | |
| 367 | G | B | -0.1911 | |
| 368 | P | B | -0.4968 | |
| 369 | M | B | 0.0705 | |
| 370 | A | B | 0.0000 | |
| 371 | K | B | -0.5248 | |
| 372 | Y | B | 0.0000 | |
| 373 | M | B | 0.0000 | |
| 374 | A | B | -0.7569 | |
| 375 | L | B | 0.0000 | |
| 376 | L | B | -0.6624 | |
| 377 | E | B | -1.6760 | |
| 378 | S | B | -1.0617 | |
| 379 | P | B | -0.8017 | |
| 380 | K | B | -0.9963 | |
| 381 | L | B | -0.3117 | |
| 382 | M | B | 0.1979 | |
| 383 | D | B | -0.6177 | |
| 384 | F | B | 0.0000 | |
| 385 | V | B | 0.0757 | |
| 386 | P | B | 0.0000 | |
| 387 | S | B | -0.5220 | |
| 388 | E | B | -1.1690 | |
| 389 | Y | B | 0.0000 | |
| 390 | P | B | -0.3045 | |
| 391 | L | B | -0.1311 | |
| 392 | V | B | 0.0000 | |
| 393 | Y | B | 0.0000 | |
| 394 | S | B | 0.0000 | |
| 395 | Y | B | 0.0000 | |
| 396 | A | B | 0.0000 | |
| 397 | M | B | 0.0000 | |
| 398 | G | B | 0.0000 | |
| 399 | I | B | 0.0000 | |
| 400 | G | B | 0.0000 | |
| 401 | T | B | -0.5739 | |
| 402 | V | B | -0.5861 | |
| 403 | L | B | 0.0000 | |
| 404 | D | B | -0.5881 | |
| 405 | T | B | -1.0297 | |
| 406 | N | B | -2.0267 | |
| 407 | M | B | 0.0000 | |
| 408 | R | B | -2.5007 | |
| 409 | N | B | -2.7208 | |
| 410 | Y | B | 0.0000 | |
| 411 | A | B | -1.8628 | |
| 412 | Y | B | -0.8477 | |
| 413 | G | B | -0.9324 | |
| 414 | R | B | -1.2780 | |
| 415 | S | B | -0.6960 | |
| 416 | Y | B | -0.3675 | |
| 417 | L | B | 0.0000 | |
| 418 | N | B | -0.7292 | |
| 419 | P | B | -0.8322 | |
| 420 | Q | B | -1.3237 | |
| 421 | Y | B | -0.6291 | |
| 422 | F | B | -0.5753 | |
| 423 | Q | B | -1.2434 | |
| 424 | L | B | -0.8760 | |
| 425 | G | B | 0.0000 | |
| 426 | V | B | -1.4064 | |
| 427 | E | B | -2.5290 | |
| 428 | T | B | 0.0000 | |
| 429 | A | B | 0.0000 | |
| 430 | R | B | -3.2061 | |
| 431 | K | B | -3.1413 | |
| 432 | Q | B | -1.9033 | |
| 433 | Q | B | -1.5800 | |
| 434 | G | B | -1.0500 | |
| 435 | A | B | -0.9143 | |
| 436 | V | B | -0.7632 | |
| 437 | D | B | -2.0369 | |
| 438 | N | B | -3.1222 | |
| 439 | R | B | -3.6674 | |
| 440 | T | B | -2.6621 | |
| 441 | A | B | 0.0000 | |
| 442 | E | B | -3.8333 | |
| 443 | D | B | -3.5904 | |
| 444 | L | B | -2.1867 | |
| 445 | G | B | -2.4629 | |
| 446 | M | B | -1.4614 | |
| 447 | T | B | -0.8163 | |
| 448 | A | B | -0.5756 | |
| 449 | A | B | -0.8526 | |
| 450 | D | B | -1.4611 | |
| 451 | K | B | -1.4513 | |
| 452 | A | B | -1.2213 | |
| 453 | D | B | -2.1415 | |
| 454 | L | B | 0.0000 | |
| 455 | T | B | -1.0440 | |
| 456 | A | B | -1.1682 | |
| 457 | T | B | 0.0000 | |
| 458 | I | B | 0.0000 | |
| 459 | S | B | -0.9572 | |
| 460 | K | B | -1.1782 | |
| 461 | L | B | 0.0000 | |
| 462 | S | B | -0.1965 | |
| 463 | L | B | 1.1347 | |
| 464 | S | B | 0.3541 | |
| 465 | Q | B | 0.1609 | |
| 466 | L | B | 0.8829 | |
| 467 | P | B | -0.7368 | |
| 468 | R | B | -2.4009 | |
| 469 | G | B | -2.4770 | |
| 470 | R | B | -2.7101 | |
| 471 | Q | B | -2.0457 | |
| 472 | P | B | -0.7737 | |
| 473 | I | B | 0.6494 | |
| 474 | S | B | -0.2656 | |
| 475 | D | B | -0.8762 | |
| 476 | P | B | -0.2408 | |
| 477 | F | B | 0.3945 | |
| 478 | A | B | -0.6950 | |
| 479 | G | B | -1.2554 | |
| 480 | A | B | -1.2517 | |
| 481 | N | B | -2.8896 | |
| 482 | D | B | -3.9477 | |
| 483 | R | B | -4.1194 | |
| 484 | E | B | -3.6806 | |
| 485 | T | B | -2.0739 | |
| 486 | G | B | -1.6354 | |
| 487 | G | B | -1.4501 | |
| 488 | Q | B | -1.7302 | |
| 489 | A | B | -1.2375 | |
| 490 | T | B | -1.3700 | |
| 491 | D | B | -1.8443 | |
| 492 | T | B | -0.3976 | |
| 493 | P | B | 0.2027 | |
| 494 | V | B | 1.9212 | |
| 495 | Y | B | 1.8524 | |
| 496 | N | B | 0.3761 | |
| 497 | F | B | 1.4929 | |
| 498 | N | B | -0.4024 | |
| 499 | S | B | -0.3618 | |
| 500 | L | B | 0.2236 | |
| 501 | N | B | -2.0310 | |
| 502 | N | B | -2.9724 | |
| 503 | R | B | -3.4014 | |
| 504 | R | B | -3.2106 | |
| 505 | Y | B | -1.0278 | |
| 506 | D | B | -2.4362 | |
| 507 | N | B | -2.0781 | |
| 508 | Y | B | -0.7041 | |
| 509 | D | B | -2.3729 | |
| 510 | S | B | -1.6078 | |
| 511 | D | B | -2.3687 | |
| 512 | S | B | -2.1708 | |
| 513 | E | B | -3.0545 | |
| 514 | D | B | -3.7480 | |
| 515 | R | B | -3.4930 | |
| 516 | I | B | -2.9476 | |
| 517 | D | B | -3.5203 | |
| 518 | N | B | -3.2800 | |
| 519 | D | B | -3.4608 | |
| 520 | Q | B | -3.5133 | |
| 521 | D | B | -3.2347 | |
| 522 | Q | B | -2.1674 | |
| 523 | A | B | -1.1082 | |
| 524 | I | B | -0.1606 | |
| 525 | R | B | -2.4523 | |
| 526 | E | B | -3.3275 | |
| 527 | N | B | -3.6396 | |
| 528 | R | B | -3.8159 | |
| 529 | G | B | -2.9900 | |
| 530 | E | B | -2.8426 | |
| 531 | P | B | -1.7698 | |
| 532 | G | B | -1.6619 | |
| 533 | Q | B | -1.8653 | |
| 534 | P | B | -1.8530 | |
| 535 | N | B | -2.5097 | |
| 536 | N | B | -2.5678 | |
| 537 | Q | B | -2.1679 | |
| 538 | T | B | -1.3531 | |
| 539 | S | B | -1.6192 | |
| 540 | E | B | -2.9335 | |
| 541 | N | B | -3.3081 | |
| 542 | Q | B | -3.1341 | |
| 543 | Q | B | -2.9492 | |
| 544 | R | B | -2.3553 | |
| 545 | L | B | -0.0287 | |
| 546 | N | B | -0.3566 | |
| 547 | L | B | 1.3762 | |
| 548 | P | B | 0.8675 | |
| 549 | V | B | 1.6759 | |
| 550 | P | B | 0.5396 | |
| 551 | Q | B | -0.2968 | |
| 552 | C | B | 0.1008 | |
| 553 | T | B | -0.1533 | |
| 554 | S | B | -0.3704 | |
| 555 | G | B | -0.4900 | |
| 556 | M | B | -0.7720 | |
| 557 | S | B | -1.3401 | |
| 558 | S | B | -1.6988 | |
| 559 | E | B | -3.0535 | |
| 560 | E | B | -2.7260 | |
| 561 | F | B | -1.6868 | |
| 562 | Q | B | -2.5817 | |
| 563 | H | B | -2.6461 | |
| 564 | S | B | -1.5427 | |
| 565 | M | B | -0.7976 | |
| 566 | N | B | -1.7117 | |
| 567 | Q | B | -1.8425 | |
| 568 | Y | B | -0.3853 | |
| 569 | I | B | -0.6904 | |
| 570 | R | B | -2.5016 | |
| 571 | A | B | -1.7339 | |
| 572 | M | B | -1.2179 | |
| 573 | H | B | -2.3063 | |
| 574 | E | B | -3.2770 | |
| 575 | Q | B | -2.5784 | |
| 576 | Y | B | -1.4306 | |
| 577 | R | B | -3.3193 | |
| 578 | G | B | -3.3227 | |
| 579 | S | B | -2.8760 | |
| 580 | Q | B | -3.5923 | |
| 581 | D | B | -4.3776 | |
| 582 | D | B | -4.3050 | |
| 583 | D | B | -4.0984 | |
| 584 | A | B | -3.0454 | |
| 585 | N | B | -3.3278 | |
| 586 | D | B | -2.8750 | |
| 587 | A | B | -1.5830 | |
| 588 | T | B | -1.7262 | |
| 589 | D | B | -2.4998 | |
| 590 | G | B | -2.1439 | |
| 591 | N | B | -2.1677 | |
| 592 | D | B | -1.3306 | |
| 593 | I | B | 0.7344 | |
| 594 | S | B | 0.4214 | |
| 595 | L | B | 1.4733 | |
| 596 | E | B | 0.3727 | |
| 597 | L | B | 1.6926 | |
| 598 | V | B | 1.7230 | |
| 599 | G | B | -0.1178 | |
| 600 | D | B | -1.1413 | |
| 601 | F | B | 0.1204 | |
| 602 | D | B | -1.7359 | |
| 603 | S | B | -1.6150 | |
| 604 | H | B | -2.0048 | |
| 605 | H | B | -2.1833 | |
| 606 | H | B | -2.4485 | |
| 607 | H | B | -2.4047 | |
| 608 | H | B | -2.1738 | |
| 609 | H | B | -1.8051 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.4988 | 4.9902 | View | CSV | PDB |
| 4.5 | -0.5798 | 4.8593 | View | CSV | PDB |
| 5.0 | -0.6798 | 4.6862 | View | CSV | PDB |
| 5.5 | -0.784 | 4.4971 | View | CSV | PDB |
| 6.0 | -0.8788 | 4.3155 | View | CSV | PDB |
| 6.5 | -0.9559 | 4.1912 | View | CSV | PDB |
| 7.0 | -1.0144 | 4.1306 | View | CSV | PDB |
| 7.5 | -1.0595 | 4.1101 | View | CSV | PDB |
| 8.0 | -1.0954 | 4.1028 | View | CSV | PDB |
| 8.5 | -1.1216 | 4.1004 | View | CSV | PDB |
| 9.0 | -1.134 | 4.0996 | 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