| Chain sequence(s) |
A: REDENNPFYFRSSNSFQTLFENQNGRIRLLQRFNKRSPQLENLRDYRIVQFQSKPNTILLPHHADADFLLFVLSGRAILTLVNNDDRDSYNLHPGDAQRIPAGTTYYLVNPHDHQNLKMIWLAIPVNKPGRYDDFFLSSTQAQQSYLQGFSHNILETSFHSEFEEINRVLFGEEEEQRQQEGVIVELSKEQIRQLSRRAKSSSRKTISSEDEPFNLRSRNPIYSNNFGKFFEITPEKNPQLRDLDIFLSSVDINEGALLLPHFNSKAIVILVINEGDANIELVGIKLEVQRYRAELSEDDVFVIPAAYPFVVNATSNLNFLAFGINAENNQRNFLAGEKDNVVRQIERQVQELAFPGSAQDVERLLKKQRESYFVDA
C: DENNPFYFRSSNSFQTLFENQNGRIRLLQRFNKRSPQLENLRDYRIVQFQSKPNTILLPHHADADFLLFVLSGRAILTLVNNDDRDSYNLHPGDAQRIPAGTTYYLVNPHDHQNLKMIWLAIPVNKPGRYDDFFLSSTQAQQSYLQGFSHNILETSFHSEFEEINRVLFGQEGVIVELDEPFNLRSRNPIYSNNFGKFFEITPEKNPQLRDLDIFLSSVDINEGALLLPHFNSKAIVILVINEGDANIELVGIKPLEVQRYRAELSEDDVFVIPAAYPFVVNATSNLNFLAFGINAENNQRNFLAGEKDNVVRQIERQVQELAFPGSAQDVERLLKKQRESYFVDA B: REDENNPFYFRSSNSFQTLFENQNGRIRLLQRFNKRSPQLENLRDYRIVQFQSKPNTILLPHHADADFLLFVLSGRAILTLVNNDDRDSYNLHPGDAQRIPAGTTYYLVNPHDHQNLKMIWLAIPVNKPGRYDDFFLSSTQAQQSYLQGFSHNILETSFHSEFEEINRVLFGQEGVIVELSKEQIRQLSRRAKSSSRKTISSEDEPFNLRSRNPIYSNNFGKFFEITPEKNPQLRDLDIFLSSVDINEGALLLPHFNSKAIVILVINEGDANIELVGIKLEVQRYRAELSEDDVFVIPAAYPFVVNATSNLNFLAFGINAENNQRNFLAGEKDNVVRQIERQVQELAFPGSAQDVERLLKKQRESYFVDA input PDB |
| Selected Chain(s) | A,B,C |
| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[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 (00:53:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a9b6e139bfe8017/tmp/folded.pdb (00:53:42)
[INFO] Main: Simulation completed successfully. (01:15:57)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 4 | R | A | -3.2379 | |
| 5 | E | A | -4.3738 | |
| 6 | D | A | -4.2560 | |
| 7 | E | A | -3.9527 | |
| 8 | N | A | -3.4827 | |
| 9 | N | A | 0.0000 | |
| 10 | P | A | 0.0000 | |
| 11 | F | A | 0.0000 | |
| 12 | Y | A | 0.0000 | |
| 13 | F | A | 0.0000 | |
| 14 | R | A | -2.3213 | |
| 15 | S | A | 0.0000 | |
| 16 | S | A | -1.3878 | |
| 17 | N | A | -1.9930 | |
| 18 | S | A | 0.0000 | |
| 19 | F | A | -1.0406 | |
| 20 | Q | A | -1.2738 | |
| 21 | T | A | -0.8689 | |
| 22 | L | A | -0.2574 | |
| 23 | F | A | -0.7572 | |
| 24 | E | A | -2.3395 | |
| 25 | N | A | -2.1728 | |
| 26 | Q | A | -2.1928 | |
| 27 | N | A | 0.0000 | |
| 28 | G | A | 0.0000 | |
| 29 | R | A | -2.0165 | |
| 30 | I | A | 0.0000 | |
| 31 | R | A | -0.8624 | |
| 32 | L | A | -0.3690 | |
| 33 | L | A | 0.0000 | |
| 34 | Q | A | -1.5271 | |
| 35 | R | A | -2.0113 | |
| 36 | F | A | 0.0000 | |
| 37 | N | A | -2.2111 | |
| 38 | K | A | -2.5854 | |
| 39 | R | A | -1.9412 | |
| 40 | S | A | 0.0000 | |
| 41 | P | A | -1.5211 | |
| 42 | Q | A | -1.3799 | |
| 43 | L | A | 0.0000 | |
| 44 | E | A | -2.0359 | |
| 45 | N | A | -1.6258 | |
| 46 | L | A | 0.0000 | |
| 47 | R | A | -2.0680 | |
| 48 | D | A | -1.8853 | |
| 49 | Y | A | -0.9902 | |
| 50 | R | A | -0.8254 | |
| 51 | I | A | 0.0000 | |
| 52 | V | A | 0.0000 | |
| 53 | Q | A | 0.0000 | |
| 54 | F | A | 0.0000 | |
| 55 | Q | A | -1.4996 | |
| 56 | S | A | 0.0000 | |
| 57 | K | A | -2.7845 | |
| 58 | P | A | -2.6379 | |
| 59 | N | A | -2.5510 | |
| 60 | T | A | 0.0000 | |
| 61 | I | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | P | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | H | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | D | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | D | A | 0.0000 | |
| 71 | F | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | S | A | -0.8384 | |
| 78 | G | A | -1.3256 | |
| 79 | R | A | -1.0420 | |
| 80 | A | A | 0.0000 | |
| 81 | I | A | 0.0000 | |
| 82 | L | A | 0.0000 | |
| 83 | T | A | 0.0000 | |
| 84 | L | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | N | A | -2.2981 | |
| 87 | N | A | -2.5458 | |
| 88 | D | A | -3.5717 | |
| 89 | D | A | -3.5782 | |
| 90 | R | A | -2.6661 | |
| 91 | D | A | -2.1844 | |
| 92 | S | A | -1.7158 | |
| 93 | Y | A | 0.0000 | |
| 94 | N | A | -1.2359 | |
| 95 | L | A | 0.0000 | |
| 96 | H | A | -0.6698 | |
| 97 | P | A | -0.6661 | |
| 98 | G | A | -0.5050 | |
| 99 | D | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | Q | A | 0.0000 | |
| 102 | R | A | -0.6671 | |
| 103 | I | A | 0.0000 | |
| 104 | P | A | -0.3886 | |
| 105 | A | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | -0.3148 | |
| 108 | T | A | 0.0000 | |
| 109 | Y | A | 0.0000 | |
| 110 | Y | A | 0.0000 | |
| 111 | L | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | N | A | 0.0000 | |
| 114 | P | A | 0.0000 | |
| 115 | H | A | -2.1482 | |
| 116 | D | A | -2.6778 | |
| 117 | H | A | -2.5286 | |
| 118 | Q | A | -2.7940 | |
| 119 | N | A | -2.4320 | |
| 120 | L | A | 0.0000 | |
| 121 | K | A | -1.2021 | |
| 122 | M | A | 0.0000 | |
| 123 | I | A | 0.0000 | |
| 124 | W | A | 0.0000 | |
| 125 | L | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | I | A | -0.3014 | |
| 128 | P | A | -0.7031 | |
| 129 | V | A | -0.4179 | |
| 130 | N | A | 0.0000 | |
| 131 | K | A | -1.2686 | |
| 132 | P | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | R | A | -2.1863 | |
| 135 | Y | A | -0.9860 | |
| 136 | D | A | -0.9917 | |
| 137 | D | A | -0.5462 | |
| 138 | F | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | S | A | 0.0000 | |
| 142 | S | A | 0.0000 | |
| 143 | T | A | 0.0000 | |
| 144 | Q | A | -3.1085 | |
| 145 | A | A | -1.3194 | |
| 146 | Q | A | 0.0000 | |
| 147 | Q | A | -1.1277 | |
| 148 | S | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | Q | A | -0.5529 | |
| 152 | G | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | S | A | -1.1944 | |
| 155 | H | A | -2.2727 | |
| 156 | N | A | -2.2068 | |
| 157 | I | A | 0.0000 | |
| 158 | L | A | 0.0000 | |
| 159 | E | A | -2.5610 | |
| 160 | T | A | -1.7824 | |
| 161 | S | A | 0.0000 | |
| 162 | F | A | 0.0000 | |
| 163 | H | A | -2.5703 | |
| 164 | S | A | -2.1730 | |
| 165 | E | A | -3.1660 | |
| 166 | F | A | -2.8447 | |
| 167 | E | A | -3.2726 | |
| 168 | E | A | -2.6919 | |
| 169 | I | A | 0.0000 | |
| 170 | N | A | -2.7014 | |
| 171 | R | A | -3.3789 | |
| 172 | V | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | G | A | 0.0000 | |
| 176 | E | A | -3.9573 | |
| 177 | E | A | -4.1355 | |
| 178 | E | A | -4.5374 | |
| 179 | E | A | -4.7946 | |
| 180 | Q | A | -3.7042 | |
| 181 | R | A | -3.1880 | |
| 182 | Q | A | -3.1197 | |
| 183 | Q | A | -2.4840 | |
| 184 | E | A | -3.1695 | |
| 185 | G | A | 0.0000 | |
| 186 | V | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | E | A | -2.5529 | |
| 190 | L | A | -1.8879 | |
| 191 | S | A | -2.2962 | |
| 192 | K | A | -3.5391 | |
| 193 | E | A | -3.4514 | |
| 194 | Q | A | -2.7809 | |
| 195 | I | A | 0.0000 | |
| 196 | R | A | -3.6908 | |
| 197 | Q | A | -3.1129 | |
| 198 | L | A | 0.0000 | |
| 199 | S | A | -2.2060 | |
| 200 | R | A | -3.4783 | |
| 201 | R | A | -3.2416 | |
| 202 | A | A | -2.2659 | |
| 203 | K | A | -2.2340 | |
| 204 | S | A | -0.9814 | |
| 205 | S | A | -1.3161 | |
| 206 | S | A | -1.8282 | |
| 207 | R | A | -3.2323 | |
| 208 | K | A | -2.7424 | |
| 209 | T | A | 0.0000 | |
| 210 | I | A | 0.0000 | |
| 211 | S | A | -2.0952 | |
| 212 | S | A | -2.3989 | |
| 213 | E | A | -3.2318 | |
| 214 | D | A | -2.9764 | |
| 215 | E | A | -2.4032 | |
| 216 | P | A | 0.0000 | |
| 217 | F | A | 0.0000 | |
| 218 | N | A | -1.1538 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -2.0743 | |
| 221 | S | A | -2.5123 | |
| 222 | R | A | -2.9737 | |
| 223 | N | A | -2.2111 | |
| 224 | P | A | -1.0313 | |
| 225 | I | A | 0.3769 | |
| 226 | Y | A | 0.0000 | |
| 227 | S | A | -0.8973 | |
| 228 | N | A | -1.3023 | |
| 229 | N | A | -1.8815 | |
| 230 | F | A | -1.6898 | |
| 231 | G | A | 0.0000 | |
| 232 | K | A | -1.2804 | |
| 233 | F | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | E | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | T | A | -1.7737 | |
| 238 | P | A | 0.0000 | |
| 239 | E | A | -3.1599 | |
| 240 | K | A | -2.1022 | |
| 241 | N | A | 0.0000 | |
| 242 | P | A | -2.6415 | |
| 243 | Q | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | R | A | -3.8447 | |
| 246 | D | A | -2.8796 | |
| 247 | L | A | -1.7666 | |
| 248 | D | A | -2.6258 | |
| 249 | I | A | 0.0000 | |
| 250 | F | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | S | A | 0.0000 | |
| 254 | V | A | 0.0000 | |
| 255 | D | A | -1.3986 | |
| 256 | I | A | 0.0000 | |
| 257 | N | A | -2.7618 | |
| 258 | E | A | -3.2655 | |
| 259 | G | A | -2.0568 | |
| 260 | A | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0000 | |
| 264 | P | A | 0.0000 | |
| 265 | H | A | 0.0000 | |
| 266 | F | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | S | A | 0.0000 | |
| 269 | K | A | -1.0042 | |
| 270 | A | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | I | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | N | A | -1.9610 | |
| 278 | E | A | -3.1389 | |
| 279 | G | A | -2.7856 | |
| 280 | D | A | -2.7511 | |
| 281 | A | A | 0.0000 | |
| 282 | N | A | -1.4545 | |
| 283 | I | A | 0.0000 | |
| 284 | E | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | G | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | K | A | -2.4278 | |
| 302 | L | A | -1.0556 | |
| 303 | E | A | -2.5037 | |
| 304 | V | A | -1.6836 | |
| 305 | Q | A | -1.9123 | |
| 306 | R | A | -2.4316 | |
| 307 | Y | A | 0.0000 | |
| 308 | R | A | -2.4773 | |
| 309 | A | A | 0.0000 | |
| 310 | E | A | -2.8647 | |
| 311 | L | A | 0.0000 | |
| 312 | S | A | -2.3878 | |
| 313 | E | A | -3.0118 | |
| 314 | D | A | -1.6902 | |
| 315 | D | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | F | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | I | A | 0.0000 | |
| 320 | P | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | Y | A | 0.0000 | |
| 324 | P | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | N | A | -1.2759 | |
| 329 | A | A | 0.0000 | |
| 330 | T | A | -1.7965 | |
| 331 | S | A | -2.3644 | |
| 332 | N | A | -3.0328 | |
| 333 | L | A | 0.0000 | |
| 334 | N | A | -1.7482 | |
| 335 | F | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | F | A | 0.0000 | |
| 339 | G | A | 0.0000 | |
| 340 | I | A | 0.0000 | |
| 341 | N | A | -1.6416 | |
| 342 | A | A | 0.0000 | |
| 343 | E | A | -3.4734 | |
| 344 | N | A | -2.8265 | |
| 345 | N | A | -1.7963 | |
| 346 | Q | A | -1.3437 | |
| 347 | R | A | 0.0000 | |
| 348 | N | A | 0.0000 | |
| 349 | F | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | A | A | 0.0000 | |
| 352 | G | A | 0.0000 | |
| 353 | E | A | -3.9485 | |
| 354 | K | A | -3.1685 | |
| 355 | D | A | -2.5193 | |
| 356 | N | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | R | A | -2.0769 | |
| 360 | Q | A | -2.2365 | |
| 361 | I | A | 0.0000 | |
| 362 | E | A | -2.3381 | |
| 363 | R | A | -3.3656 | |
| 364 | Q | A | -2.5040 | |
| 365 | V | A | 0.0000 | |
| 366 | Q | A | 0.0000 | |
| 367 | E | A | -2.4855 | |
| 368 | L | A | -1.0528 | |
| 369 | A | A | 0.0000 | |
| 370 | F | A | 0.0000 | |
| 371 | P | A | -1.2735 | |
| 372 | G | A | -1.4806 | |
| 373 | S | A | -2.0471 | |
| 374 | A | A | -2.6089 | |
| 375 | Q | A | -2.8063 | |
| 376 | D | A | -2.6713 | |
| 377 | V | A | 0.0000 | |
| 378 | E | A | -3.0854 | |
| 379 | R | A | -3.4700 | |
| 380 | L | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | K | A | -3.9836 | |
| 383 | K | A | -3.4145 | |
| 384 | Q | A | 0.0000 | |
| 385 | R | A | -3.6421 | |
| 386 | E | A | -2.9635 | |
| 387 | S | A | -1.7876 | |
| 388 | Y | A | 0.0000 | |
| 389 | F | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | D | A | -2.4598 | |
| 392 | A | A | -1.5936 | |
| 4 | R | B | -4.1231 | |
| 5 | E | B | -4.5601 | |
| 6 | D | B | -4.0262 | |
| 7 | E | B | -3.9022 | |
| 8 | N | B | -3.6317 | |
| 9 | N | B | 0.0000 | |
| 10 | P | B | -1.6206 | |
| 11 | F | B | 0.0000 | |
| 12 | Y | B | 0.0000 | |
| 13 | F | B | 0.0000 | |
| 14 | R | B | -2.5631 | |
| 15 | S | B | -1.6300 | |
| 16 | S | B | -1.3532 | |
| 17 | N | B | -1.9028 | |
| 18 | S | B | 0.0000 | |
| 19 | F | B | -1.0145 | |
| 20 | Q | B | -1.2465 | |
| 21 | T | B | -0.7568 | |
| 22 | L | B | -0.2465 | |
| 23 | F | B | -0.8223 | |
| 24 | E | B | -2.2502 | |
| 25 | N | B | -2.0271 | |
| 26 | Q | B | -2.1894 | |
| 27 | N | B | 0.0000 | |
| 28 | G | B | -1.9746 | |
| 29 | R | B | -1.5991 | |
| 30 | I | B | 0.0000 | |
| 31 | R | B | 0.0000 | |
| 32 | L | B | 0.0000 | |
| 33 | L | B | 0.0000 | |
| 34 | Q | B | -1.2640 | |
| 35 | R | B | -1.6220 | |
| 36 | F | B | 0.0000 | |
| 37 | N | B | -2.0706 | |
| 38 | K | B | -2.5034 | |
| 39 | R | B | -1.8255 | |
| 40 | S | B | 0.0000 | |
| 41 | P | B | -1.3183 | |
| 42 | Q | B | -1.1955 | |
| 43 | L | B | 0.0000 | |
| 44 | E | B | -1.5675 | |
| 45 | N | B | -1.3654 | |
| 46 | L | B | 0.0000 | |
| 47 | R | B | -2.0120 | |
| 48 | D | B | -1.6357 | |
| 49 | Y | B | -0.8807 | |
| 50 | R | B | -0.7257 | |
| 51 | I | B | 0.0000 | |
| 52 | V | B | 0.0000 | |
| 53 | Q | B | 0.0000 | |
| 54 | F | B | 0.0000 | |
| 55 | Q | B | -1.2601 | |
| 56 | S | B | 0.0000 | |
| 57 | K | B | -2.7684 | |
| 58 | P | B | -2.5277 | |
| 59 | N | B | -2.0774 | |
| 60 | T | B | 0.0000 | |
| 61 | I | B | 0.0000 | |
| 62 | L | B | 0.0000 | |
| 63 | L | B | 0.0000 | |
| 64 | P | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | H | B | 0.0000 | |
| 67 | A | B | 0.0000 | |
| 68 | D | B | 0.0000 | |
| 69 | A | B | 0.0000 | |
| 70 | D | B | 0.0000 | |
| 71 | F | B | 0.0000 | |
| 72 | L | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | F | B | 0.0000 | |
| 75 | V | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | S | B | -0.9414 | |
| 78 | G | B | -1.4516 | |
| 79 | R | B | -1.1384 | |
| 80 | A | B | 0.0000 | |
| 81 | I | B | 0.0000 | |
| 82 | L | B | 0.0000 | |
| 83 | T | B | 0.0000 | |
| 84 | L | B | 0.0000 | |
| 85 | V | B | 0.0000 | |
| 86 | N | B | -2.0554 | |
| 87 | N | B | -2.3691 | |
| 88 | D | B | -3.5002 | |
| 89 | D | B | -3.4511 | |
| 90 | R | B | -2.8172 | |
| 91 | D | B | -2.2290 | |
| 92 | S | B | -1.8671 | |
| 93 | Y | B | 0.0000 | |
| 94 | N | B | -1.4224 | |
| 95 | L | B | 0.0000 | |
| 96 | H | B | -0.6799 | |
| 97 | P | B | -0.6071 | |
| 98 | G | B | 0.0000 | |
| 99 | D | B | 0.0000 | |
| 100 | A | B | 0.0000 | |
| 101 | Q | B | 0.0000 | |
| 102 | R | B | -1.2576 | |
| 103 | I | B | 0.0000 | |
| 104 | P | B | -0.5739 | |
| 105 | A | B | 0.0000 | |
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| 115 | H | B | -2.0249 | |
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| 117 | H | B | -2.5139 | |
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| 130 | N | B | 0.0000 | |
| 131 | K | B | -1.6195 | |
| 132 | P | B | -1.4332 | |
| 133 | G | B | 0.0000 | |
| 134 | R | B | -1.5881 | |
| 135 | Y | B | 0.0000 | |
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| 143 | T | B | -1.7037 | |
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| 145 | A | B | -1.6378 | |
| 146 | Q | B | 0.0000 | |
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| 150 | L | B | 0.0000 | |
| 151 | Q | B | -0.8954 | |
| 152 | G | B | 0.0000 | |
| 153 | F | B | 0.0000 | |
| 154 | S | B | -1.3549 | |
| 155 | H | B | -2.1922 | |
| 156 | N | B | -2.0868 | |
| 157 | I | B | 0.0000 | |
| 158 | L | B | 0.0000 | |
| 159 | E | B | -2.2546 | |
| 160 | T | B | -1.5389 | |
| 161 | S | B | 0.0000 | |
| 162 | F | B | 0.0000 | |
| 163 | H | B | -2.3557 | |
| 164 | S | B | -2.1950 | |
| 165 | E | B | -3.1628 | |
| 166 | F | B | -2.8339 | |
| 167 | E | B | -3.4997 | |
| 168 | E | B | -3.0204 | |
| 169 | I | B | 0.0000 | |
| 170 | N | B | -2.6504 | |
| 171 | R | B | -3.0414 | |
| 172 | V | B | 0.0000 | |
| 173 | L | B | 0.0000 | |
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| 175 | G | B | -2.0103 | |
| 183 | Q | B | -1.9831 | |
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| 185 | G | B | 0.0000 | |
| 186 | V | B | 0.0000 | |
| 187 | I | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | E | B | -2.5679 | |
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| 191 | S | B | -2.2174 | |
| 192 | K | B | -3.6358 | |
| 193 | E | B | -3.5343 | |
| 194 | Q | B | -2.6917 | |
| 195 | I | B | 0.0000 | |
| 196 | R | B | -3.9181 | |
| 197 | Q | B | -3.0222 | |
| 198 | L | B | 0.0000 | |
| 199 | S | B | -2.5889 | |
| 200 | R | B | -3.6271 | |
| 201 | R | B | -3.5917 | |
| 202 | A | B | -2.4978 | |
| 203 | K | B | -2.7534 | |
| 204 | S | B | -1.4611 | |
| 205 | S | B | -1.4863 | |
| 206 | S | B | -2.1308 | |
| 207 | R | B | -3.0347 | |
| 208 | K | B | -2.7025 | |
| 209 | T | B | -2.2142 | |
| 210 | I | B | 0.0000 | |
| 211 | S | B | -1.9922 | |
| 212 | S | B | -2.1673 | |
| 213 | E | B | -3.3414 | |
| 214 | D | B | -3.0887 | |
| 215 | E | B | -2.4275 | |
| 216 | P | B | 0.0000 | |
| 217 | F | B | 0.0000 | |
| 218 | N | B | -1.0045 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -1.5266 | |
| 221 | S | B | -1.7170 | |
| 222 | R | B | -2.2460 | |
| 223 | N | B | -1.8967 | |
| 224 | P | B | 0.0000 | |
| 225 | I | B | 0.2857 | |
| 226 | Y | B | 0.0000 | |
| 227 | S | B | -1.0153 | |
| 228 | N | B | -1.3615 | |
| 229 | N | B | -1.9609 | |
| 230 | F | B | -1.9781 | |
| 231 | G | B | 0.0000 | |
| 232 | K | B | -1.7381 | |
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| 235 | E | B | 0.0000 | |
| 236 | I | B | 0.0000 | |
| 237 | T | B | -1.8706 | |
| 238 | P | B | 0.0000 | |
| 239 | E | B | -3.3354 | |
| 240 | K | B | -2.1716 | |
| 241 | N | B | 0.0000 | |
| 242 | P | B | -2.6840 | |
| 243 | Q | B | 0.0000 | |
| 244 | L | B | 0.0000 | |
| 245 | R | B | -3.9730 | |
| 246 | D | B | -3.0786 | |
| 247 | L | B | 0.0000 | |
| 248 | D | B | -2.7801 | |
| 249 | I | B | 0.0000 | |
| 250 | F | B | 0.0000 | |
| 251 | L | B | 0.0000 | |
| 252 | S | B | 0.0000 | |
| 253 | S | B | 0.0000 | |
| 254 | V | B | 0.0000 | |
| 255 | D | B | -1.6623 | |
| 256 | I | B | 0.0000 | |
| 257 | N | B | -3.0572 | |
| 258 | E | B | -3.2770 | |
| 259 | G | B | -2.0185 | |
| 260 | A | B | 0.0000 | |
| 261 | L | B | 0.0000 | |
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| 263 | L | B | 0.0000 | |
| 264 | P | B | 0.0000 | |
| 265 | H | B | 0.0000 | |
| 266 | F | B | 0.0000 | |
| 267 | N | B | 0.0000 | |
| 268 | S | B | 0.0000 | |
| 269 | K | B | -0.9574 | |
| 270 | A | B | 0.0000 | |
| 271 | I | B | 0.0000 | |
| 272 | V | B | 0.0000 | |
| 273 | I | B | 0.0000 | |
| 274 | L | B | 0.0000 | |
| 275 | V | B | 0.0000 | |
| 276 | I | B | 0.0000 | |
| 277 | N | B | 0.0000 | |
| 278 | E | B | -2.6569 | |
| 279 | G | B | -2.5073 | |
| 280 | D | B | -2.4567 | |
| 281 | A | B | 0.0000 | |
| 282 | N | B | -1.4401 | |
| 283 | I | B | 0.0000 | |
| 284 | E | B | 0.0000 | |
| 285 | L | B | 0.0000 | |
| 286 | V | B | 0.0000 | |
| 287 | G | B | 0.0000 | |
| 288 | I | B | 0.0000 | |
| 289 | K | B | -2.5836 | |
| 302 | L | B | -1.1120 | |
| 303 | E | B | -2.5439 | |
| 304 | V | B | -1.6316 | |
| 305 | Q | B | -1.9581 | |
| 306 | R | B | -2.5088 | |
| 307 | Y | B | 0.0000 | |
| 308 | R | B | -2.7798 | |
| 309 | A | B | 0.0000 | |
| 310 | E | B | -2.8059 | |
| 311 | L | B | 0.0000 | |
| 312 | S | B | -2.2449 | |
| 313 | E | B | -2.7356 | |
| 314 | D | B | -1.5540 | |
| 315 | D | B | 0.0000 | |
| 316 | V | B | 0.0000 | |
| 317 | F | B | 0.0000 | |
| 318 | V | B | 0.0000 | |
| 319 | I | B | 0.0000 | |
| 320 | P | B | 0.0000 | |
| 321 | A | B | 0.0000 | |
| 322 | A | B | 0.0000 | |
| 323 | Y | B | 0.0000 | |
| 324 | P | B | 0.0000 | |
| 325 | F | B | 0.0000 | |
| 326 | V | B | 0.0000 | |
| 327 | V | B | 0.0000 | |
| 328 | N | B | -1.2270 | |
| 329 | A | B | 0.0000 | |
| 330 | T | B | -1.7297 | |
| 331 | S | B | -2.2440 | |
| 332 | N | B | -2.9916 | |
| 333 | L | B | 0.0000 | |
| 334 | N | B | -1.6549 | |
| 335 | F | B | 0.0000 | |
| 336 | L | B | 0.0000 | |
| 337 | A | B | 0.0000 | |
| 338 | F | B | 0.0000 | |
| 339 | G | B | 0.0000 | |
| 340 | I | B | 0.0000 | |
| 341 | N | B | -1.4750 | |
| 342 | A | B | 0.0000 | |
| 343 | E | B | -3.4062 | |
| 344 | N | B | -2.8108 | |
| 345 | N | B | -1.8188 | |
| 346 | Q | B | -1.5108 | |
| 347 | R | B | 0.0000 | |
| 348 | N | B | 0.0000 | |
| 349 | F | B | 0.0000 | |
| 350 | L | B | 0.0000 | |
| 351 | A | B | 0.0000 | |
| 352 | G | B | 0.0000 | |
| 353 | E | B | -3.5972 | |
| 354 | K | B | -3.2225 | |
| 355 | D | B | -2.5544 | |
| 356 | N | B | 0.0000 | |
| 357 | V | B | 0.0000 | |
| 358 | V | B | 0.0000 | |
| 359 | R | B | -2.3410 | |
| 360 | Q | B | -2.1596 | |
| 361 | I | B | 0.0000 | |
| 362 | E | B | -1.6839 | |
| 363 | R | B | -2.8408 | |
| 364 | Q | B | -2.0749 | |
| 365 | V | B | 0.0000 | |
| 366 | Q | B | 0.0000 | |
| 367 | E | B | -2.3266 | |
| 368 | L | B | 0.0000 | |
| 369 | A | B | 0.0000 | |
| 370 | F | B | 0.0000 | |
| 371 | P | B | -1.8105 | |
| 372 | G | B | 0.0000 | |
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| 374 | A | B | -2.4426 | |
| 375 | Q | B | -2.7368 | |
| 376 | D | B | -2.6487 | |
| 377 | V | B | 0.0000 | |
| 378 | E | B | -2.9637 | |
| 379 | R | B | -3.3839 | |
| 380 | L | B | 0.0000 | |
| 381 | L | B | 0.0000 | |
| 382 | K | B | -3.8840 | |
| 383 | K | B | -3.3350 | |
| 384 | Q | B | 0.0000 | |
| 385 | R | B | -3.5197 | |
| 386 | E | B | -2.7041 | |
| 387 | S | B | -1.6503 | |
| 388 | Y | B | -0.6411 | |
| 389 | F | B | 0.0000 | |
| 390 | V | B | 0.0000 | |
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| 6 | D | C | -3.7884 | |
| 7 | E | C | -3.6583 | |
| 8 | N | C | -2.9032 | |
| 9 | N | C | 0.0000 | |
| 10 | P | C | -1.2809 | |
| 11 | F | C | 0.0000 | |
| 12 | Y | C | 0.0000 | |
| 13 | F | C | 0.0000 | |
| 14 | R | C | -1.9115 | |
| 15 | S | C | -1.2629 | |
| 16 | S | C | -1.1582 | |
| 17 | N | C | -1.8974 | |
| 18 | S | C | 0.0000 | |
| 19 | F | C | -1.0284 | |
| 20 | Q | C | -1.2541 | |
| 21 | T | C | -0.9265 | |
| 22 | L | C | -0.2732 | |
| 23 | F | C | -0.9610 | |
| 24 | E | C | -2.6183 | |
| 25 | N | C | -2.5327 | |
| 26 | Q | C | -2.6621 | |
| 27 | N | C | 0.0000 | |
| 28 | G | C | -2.3282 | |
| 29 | R | C | -2.2714 | |
| 30 | I | C | 0.0000 | |
| 31 | R | C | -0.8077 | |
| 32 | L | C | -0.2532 | |
| 33 | L | C | 0.0000 | |
| 34 | Q | C | -1.5090 | |
| 35 | R | C | -2.4959 | |
| 36 | F | C | 0.0000 | |
| 37 | N | C | -2.7714 | |
| 38 | K | C | -2.9052 | |
| 39 | R | C | -2.2148 | |
| 40 | S | C | 0.0000 | |
| 41 | P | C | -1.6887 | |
| 42 | Q | C | -1.6479 | |
| 43 | L | C | 0.0000 | |
| 44 | E | C | -2.4030 | |
| 45 | N | C | -1.8571 | |
| 46 | L | C | 0.0000 | |
| 47 | R | C | -2.5563 | |
| 48 | D | C | -1.8876 | |
| 49 | Y | C | -1.0563 | |
| 50 | R | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | V | C | 0.0000 | |
| 53 | Q | C | 0.0000 | |
| 54 | F | C | 0.0000 | |
| 55 | Q | C | -1.5122 | |
| 56 | S | C | 0.0000 | |
| 57 | K | C | -3.1322 | |
| 58 | P | C | -2.8088 | |
| 59 | N | C | -1.9211 | |
| 60 | T | C | 0.0000 | |
| 61 | I | C | 0.0000 | |
| 62 | L | C | 0.0000 | |
| 63 | L | C | 0.0000 | |
| 64 | P | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
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| 67 | A | C | 0.0000 | |
| 68 | D | C | 0.0000 | |
| 69 | A | C | 0.0000 | |
| 70 | D | C | -0.1366 | |
| 71 | F | C | 0.0000 | |
| 72 | L | C | 0.0000 | |
| 73 | L | C | 0.0000 | |
| 74 | F | C | 0.0000 | |
| 75 | V | C | 0.0000 | |
| 76 | L | C | 0.0000 | |
| 77 | S | C | -0.9134 | |
| 78 | G | C | -1.7782 | |
| 79 | R | C | -1.6288 | |
| 80 | A | C | 0.0000 | |
| 81 | I | C | -0.1899 | |
| 82 | L | C | 0.0000 | |
| 83 | T | C | 0.0000 | |
| 84 | L | C | -0.8923 | |
| 85 | V | C | 0.0000 | |
| 86 | N | C | -2.4054 | |
| 87 | N | C | -2.4916 | |
| 88 | D | C | -3.7938 | |
| 89 | D | C | -3.6948 | |
| 90 | R | C | -3.1445 | |
| 91 | D | C | -2.3408 | |
| 92 | S | C | -1.0987 | |
| 93 | Y | C | -1.1002 | |
| 94 | N | C | -1.3756 | |
| 95 | L | C | 0.0000 | |
| 96 | H | C | -1.5044 | |
| 97 | P | C | -0.9372 | |
| 98 | G | C | 0.0000 | |
| 99 | D | C | -1.0204 | |
| 100 | A | C | 0.0000 | |
| 101 | Q | C | 0.0000 | |
| 102 | R | C | -0.9279 | |
| 103 | I | C | 0.0000 | |
| 104 | P | C | -0.5256 | |
| 105 | A | C | 0.0000 | |
| 106 | G | C | 0.0000 | |
| 107 | T | C | -0.3057 | |
| 108 | T | C | 0.0000 | |
| 109 | Y | C | 0.0000 | |
| 110 | Y | C | 0.0000 | |
| 111 | L | C | 0.0000 | |
| 112 | V | C | -0.0184 | |
| 113 | N | C | 0.0000 | |
| 114 | P | C | -1.0767 | |
| 115 | H | C | -2.6410 | |
| 116 | D | C | -3.4676 | |
| 117 | H | C | -3.1083 | |
| 118 | Q | C | -3.2255 | |
| 119 | N | C | -2.9530 | |
| 120 | L | C | 0.0000 | |
| 121 | K | C | -1.1294 | |
| 122 | M | C | 0.0000 | |
| 123 | I | C | 0.0000 | |
| 124 | W | C | 0.0000 | |
| 125 | L | C | 0.0000 | |
| 126 | A | C | 0.0000 | |
| 127 | I | C | -0.3275 | |
| 128 | P | C | 0.0000 | |
| 129 | V | C | -0.5331 | |
| 130 | N | C | 0.0000 | |
| 131 | K | C | -1.3393 | |
| 132 | P | C | -1.5004 | |
| 133 | G | C | 0.0000 | |
| 134 | R | C | -2.2476 | |
| 135 | Y | C | -0.9321 | |
| 136 | D | C | -0.8679 | |
| 137 | D | C | 0.0000 | |
| 138 | F | C | 0.0000 | |
| 139 | F | C | 0.0000 | |
| 140 | L | C | 0.0000 | |
| 141 | S | C | 0.0000 | |
| 142 | S | C | 0.0000 | |
| 143 | T | C | -1.9053 | |
| 144 | Q | C | -2.2971 | |
| 145 | A | C | -1.4959 | |
| 146 | Q | C | 0.0000 | |
| 147 | Q | C | -1.6679 | |
| 148 | S | C | 0.0000 | |
| 149 | Y | C | 0.0000 | |
| 150 | L | C | 0.0000 | |
| 151 | Q | C | -0.7569 | |
| 152 | G | C | 0.0000 | |
| 153 | F | C | 0.0000 | |
| 154 | S | C | -1.1079 | |
| 155 | H | C | -2.2342 | |
| 156 | N | C | -2.2265 | |
| 157 | I | C | -1.0907 | |
| 158 | L | C | 0.0000 | |
| 159 | E | C | -2.5096 | |
| 160 | T | C | -1.7483 | |
| 161 | S | C | 0.0000 | |
| 162 | F | C | 0.0000 | |
| 163 | H | C | -2.7503 | |
| 164 | S | C | -2.2894 | |
| 165 | E | C | -3.1889 | |
| 166 | F | C | -2.7157 | |
| 167 | E | C | -3.1476 | |
| 168 | E | C | -2.5331 | |
| 169 | I | C | 0.0000 | |
| 170 | N | C | -2.2824 | |
| 171 | R | C | -2.5554 | |
| 172 | V | C | 0.0000 | |
| 173 | L | C | 0.0000 | |
| 174 | F | C | 0.0000 | |
| 175 | G | C | -1.5087 | |
| 183 | Q | C | -2.6113 | |
| 184 | E | C | -3.1942 | |
| 185 | G | C | 0.0000 | |
| 186 | V | C | 0.0000 | |
| 187 | I | C | 0.0000 | |
| 188 | V | C | 0.0000 | |
| 189 | E | C | -1.8452 | |
| 190 | L | C | 0.4338 | |
| 191 | D | C | -2.7908 | |
| 192 | E | C | -2.7441 | |
| 193 | P | C | -1.7680 | |
| 194 | F | C | 0.0000 | |
| 195 | N | C | -1.3071 | |
| 196 | L | C | 0.0000 | |
| 197 | R | C | -1.8469 | |
| 198 | S | C | -1.8291 | |
| 199 | R | C | -2.7280 | |
| 200 | N | C | -2.2563 | |
| 201 | P | C | -0.9876 | |
| 202 | I | C | 0.3413 | |
| 203 | Y | C | 0.0000 | |
| 204 | S | C | -0.9161 | |
| 205 | N | C | -1.2795 | |
| 206 | N | C | -1.9297 | |
| 207 | F | C | -1.8883 | |
| 208 | G | C | -1.9527 | |
| 209 | K | C | -1.5293 | |
| 210 | F | C | 0.0000 | |
| 211 | F | C | -0.7157 | |
| 212 | E | C | -0.5496 | |
| 213 | I | C | 0.0000 | |
| 214 | T | C | -2.0357 | |
| 215 | P | C | 0.0000 | |
| 216 | E | C | -3.6334 | |
| 217 | K | C | -2.8695 | |
| 218 | N | C | -2.4129 | |
| 219 | P | C | -2.5090 | |
| 220 | Q | C | 0.0000 | |
| 221 | L | C | 0.0000 | |
| 222 | R | C | -3.9111 | |
| 223 | D | C | -2.9655 | |
| 224 | L | C | -1.8000 | |
| 225 | D | C | -2.5711 | |
| 226 | I | C | 0.0000 | |
| 227 | F | C | 0.0000 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | 0.0000 | |
| 230 | S | C | 0.0000 | |
| 231 | V | C | 0.0000 | |
| 232 | D | C | -1.9022 | |
| 233 | I | C | 0.0000 | |
| 234 | N | C | -3.0718 | |
| 235 | E | C | -3.2779 | |
| 236 | G | C | -1.9289 | |
| 237 | A | C | 0.0000 | |
| 238 | L | C | 0.0000 | |
| 239 | L | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | P | C | 0.0000 | |
| 242 | H | C | 0.0000 | |
| 243 | F | C | 0.0000 | |
| 244 | N | C | 0.0000 | |
| 245 | S | C | 0.0000 | |
| 246 | K | C | -0.8531 | |
| 247 | A | C | 0.0000 | |
| 248 | I | C | 0.0000 | |
| 249 | V | C | 0.0000 | |
| 250 | I | C | 0.0000 | |
| 251 | L | C | 0.0000 | |
| 252 | V | C | 0.0000 | |
| 253 | I | C | 0.0000 | |
| 254 | N | C | 0.0000 | |
| 255 | E | C | -2.9416 | |
| 256 | G | C | -2.5517 | |
| 257 | D | C | -2.4920 | |
| 258 | A | C | 0.0000 | |
| 259 | N | C | -1.6906 | |
| 260 | I | C | 0.0000 | |
| 261 | E | C | 0.0000 | |
| 262 | L | C | 0.0000 | |
| 263 | V | C | 0.0000 | |
| 264 | G | C | 0.0000 | |
| 265 | I | C | 0.0000 | |
| 266 | K | C | -2.4852 | |
| 301 | P | C | -0.8744 | |
| 302 | L | C | -1.1068 | |
| 303 | E | C | -2.3487 | |
| 304 | V | C | -1.8401 | |
| 305 | Q | C | -2.0906 | |
| 306 | R | C | -2.6310 | |
| 307 | Y | C | -1.9516 | |
| 308 | R | C | -2.8497 | |
| 309 | A | C | 0.0000 | |
| 310 | E | C | -2.8318 | |
| 311 | L | C | 0.0000 | |
| 312 | S | C | -2.1699 | |
| 313 | E | C | -2.7433 | |
| 314 | D | C | -1.5807 | |
| 315 | D | C | 0.0000 | |
| 316 | V | C | 0.0000 | |
| 317 | F | C | 0.0000 | |
| 318 | V | C | 0.0000 | |
| 319 | I | C | 0.0000 | |
| 320 | P | C | 0.0000 | |
| 321 | A | C | 0.0000 | |
| 322 | A | C | 0.0000 | |
| 323 | Y | C | 0.1148 | |
| 324 | P | C | 0.0000 | |
| 325 | F | C | 0.0000 | |
| 326 | V | C | 0.0000 | |
| 327 | V | C | 0.0000 | |
| 328 | N | C | -1.3136 | |
| 329 | A | C | 0.0000 | |
| 330 | T | C | -1.7094 | |
| 331 | S | C | -2.2440 | |
| 332 | N | C | -3.0213 | |
| 333 | L | C | 0.0000 | |
| 334 | N | C | 0.0000 | |
| 335 | F | C | 0.0000 | |
| 336 | L | C | 0.0000 | |
| 337 | A | C | 0.0000 | |
| 338 | F | C | 0.0000 | |
| 339 | G | C | 0.0000 | |
| 340 | I | C | 0.0000 | |
| 341 | N | C | -1.3034 | |
| 342 | A | C | 0.0000 | |
| 343 | E | C | -3.2119 | |
| 344 | N | C | -2.6271 | |
| 345 | N | C | -1.6590 | |
| 346 | Q | C | -1.0494 | |
| 347 | R | C | 0.0000 | |
| 348 | N | C | 0.0000 | |
| 349 | F | C | 0.0000 | |
| 350 | L | C | 0.0000 | |
| 351 | A | C | 0.0000 | |
| 352 | G | C | 0.0000 | |
| 353 | E | C | -3.9838 | |
| 354 | K | C | -3.5252 | |
| 355 | D | C | -2.5960 | |
| 356 | N | C | 0.0000 | |
| 357 | V | C | 0.0000 | |
| 358 | V | C | 0.0000 | |
| 359 | R | C | -2.6682 | |
| 360 | Q | C | -2.0928 | |
| 361 | I | C | 0.0000 | |
| 362 | E | C | -1.7405 | |
| 363 | R | C | -2.9100 | |
| 364 | Q | C | -1.7189 | |
| 365 | V | C | 0.0000 | |
| 366 | Q | C | 0.0000 | |
| 367 | E | C | -2.1752 | |
| 368 | L | C | 0.0000 | |
| 369 | A | C | 0.0000 | |
| 370 | F | C | 0.0000 | |
| 371 | P | C | -1.2197 | |
| 372 | G | C | -1.6006 | |
| 373 | S | C | -1.7593 | |
| 374 | A | C | -2.4581 | |
| 375 | Q | C | -2.7889 | |
| 376 | D | C | -2.8910 | |
| 377 | V | C | 0.0000 | |
| 378 | E | C | -4.2913 | |
| 379 | R | C | -3.7970 | |
| 380 | L | C | 0.0000 | |
| 381 | L | C | 0.0000 | |
| 382 | K | C | -4.2150 | |
| 383 | K | C | -3.2378 | |
| 384 | Q | C | 0.0000 | |
| 385 | R | C | -3.6712 | |
| 386 | E | C | -3.1544 | |
| 387 | S | C | -1.9747 | |
| 388 | Y | C | -0.8509 | |
| 389 | F | C | 0.0000 | |
| 390 | V | C | 0.0000 | |
| 391 | D | C | -2.1944 | |
| 392 | A | C | -1.2833 |
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 | -1.1073 | 1.4122 | View | CSV | PDB |
| 4.5 | -1.1827 | 1.2718 | View | CSV | PDB |
| 5.0 | -1.2779 | 1.171 | View | CSV | PDB |
| 5.5 | -1.3751 | 1.1033 | View | CSV | PDB |
| 6.0 | -1.4566 | 1.0597 | View | CSV | PDB |
| 6.5 | -1.5102 | 1.0499 | View | CSV | PDB |
| 7.0 | -1.536 | 1.0738 | View | CSV | PDB |
| 7.5 | -1.5439 | 1.1203 | View | CSV | PDB |
| 8.0 | -1.5431 | 1.1768 | View | CSV | PDB |
| 8.5 | -1.5366 | 1.2363 | View | CSV | PDB |
| 9.0 | -1.5237 | 1.2951 | 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