| Chain sequence(s) |
A: LNFRAPPVIPNVPFLWAWNAPSEFCLGKFDEPLDMSLFSFIGSPRINATGQGVTIFYVDRLGYYPYIDSITGVTVNGGIPQKISLQDHLDKAKKDITFYMPVDNLGMAVIDWEEWRPTWARNWKPKDVYKNRSIELVQQQNVQLSLTEATEKAKQEFEKAGKDFLVETIKLGKLLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQQSPVAATLYVRNRVREAIRVSKIPDAKSPLPVFAYTRIVFTDQVLKFLSQDELVYTFGETVALGASGIVIWGTLSIMRSMKSCLLLDNYMETILNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPDNFAIQLEKGGKFTVRGKPTLEDLEQFSEKFYCSCYSTLSCKEKADVKDTDAVDVCIADGVCIDAFLKPPMETEEPQIFYGGGGSGGGGSGGGGSDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:27:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d05b5db8c3d0c57/tmp/folded.pdb (00:27:07)
[INFO] Main: Simulation completed successfully. (00:34:38)
|
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 | L | A | 1.1342 | |
| 2 | N | A | 0.1424 | |
| 3 | F | A | 0.0152 | |
| 4 | R | A | 0.0000 | |
| 5 | A | A | -0.1983 | |
| 6 | P | A | -0.0192 | |
| 7 | P | A | -0.0858 | |
| 8 | V | A | 0.4186 | |
| 9 | I | A | 0.2347 | |
| 10 | P | A | -0.5201 | |
| 11 | N | A | -1.3239 | |
| 12 | V | A | -0.1047 | |
| 13 | P | A | -0.4652 | |
| 14 | F | A | 0.0000 | |
| 15 | L | A | 0.0000 | |
| 16 | W | A | 0.0000 | |
| 17 | A | A | 0.0000 | |
| 18 | W | A | 0.0000 | |
| 19 | N | A | 0.0000 | |
| 20 | A | A | 0.0000 | |
| 21 | P | A | 0.0000 | |
| 22 | S | A | -0.2978 | |
| 23 | E | A | -1.0359 | |
| 24 | F | A | 0.6097 | |
| 25 | C | A | 0.0000 | |
| 26 | L | A | -0.5720 | |
| 27 | G | A | 0.0000 | |
| 28 | K | A | -1.2704 | |
| 29 | F | A | 0.2414 | |
| 30 | D | A | -1.2330 | |
| 31 | E | A | -2.1539 | |
| 32 | P | A | -1.3847 | |
| 33 | L | A | 0.0000 | |
| 34 | D | A | -1.2277 | |
| 35 | M | A | -0.1735 | |
| 36 | S | A | -0.6839 | |
| 37 | L | A | 0.0000 | |
| 38 | F | A | 0.0000 | |
| 39 | S | A | 0.1954 | |
| 40 | F | A | 0.0000 | |
| 41 | I | A | 0.8116 | |
| 42 | G | A | 0.0000 | |
| 43 | S | A | 0.0000 | |
| 44 | P | A | 0.0138 | |
| 45 | R | A | -0.1737 | |
| 46 | I | A | 0.6217 | |
| 47 | N | A | -0.4384 | |
| 48 | A | A | -0.2632 | |
| 49 | T | A | 0.0068 | |
| 50 | G | A | -0.3197 | |
| 51 | Q | A | -0.3391 | |
| 52 | G | A | -0.1686 | |
| 53 | V | A | 0.0000 | |
| 54 | T | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | F | A | 0.0000 | |
| 57 | Y | A | -0.2325 | |
| 58 | V | A | -0.6086 | |
| 59 | D | A | -1.2368 | |
| 60 | R | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | G | A | 0.0000 | |
| 63 | Y | A | -0.2961 | |
| 64 | Y | A | 0.0000 | |
| 65 | P | A | 0.0000 | |
| 66 | Y | A | 0.0660 | |
| 67 | I | A | 0.0000 | |
| 68 | D | A | 0.5264 | |
| 69 | S | A | 0.6001 | |
| 70 | I | A | 1.8877 | |
| 71 | T | A | 0.7620 | |
| 72 | G | A | 0.7816 | |
| 73 | V | A | 1.6163 | |
| 74 | T | A | 0.6007 | |
| 75 | V | A | 0.4190 | |
| 76 | N | A | -0.1848 | |
| 77 | G | A | -0.6002 | |
| 78 | G | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | P | A | 0.0000 | |
| 81 | Q | A | -1.4439 | |
| 82 | K | A | -1.7351 | |
| 83 | I | A | -1.0259 | |
| 84 | S | A | -1.1505 | |
| 85 | L | A | -1.1776 | |
| 86 | Q | A | -2.1763 | |
| 87 | D | A | -2.6171 | |
| 88 | H | A | 0.0000 | |
| 89 | L | A | -1.8874 | |
| 90 | D | A | -2.6314 | |
| 91 | K | A | -2.2266 | |
| 92 | A | A | 0.0000 | |
| 93 | K | A | -2.0287 | |
| 94 | K | A | -2.1834 | |
| 95 | D | A | -1.1952 | |
| 96 | I | A | 0.0000 | |
| 97 | T | A | -0.1112 | |
| 98 | F | A | 0.8703 | |
| 99 | Y | A | 0.0000 | |
| 100 | M | A | 0.0000 | |
| 101 | P | A | 0.5884 | |
| 102 | V | A | 0.9635 | |
| 103 | D | A | -0.7586 | |
| 104 | N | A | -1.3420 | |
| 105 | L | A | -0.4714 | |
| 106 | G | A | 0.0000 | |
| 107 | M | A | 0.0000 | |
| 108 | A | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | I | A | 0.0000 | |
| 111 | D | A | -0.2763 | |
| 112 | W | A | -0.7119 | |
| 113 | E | A | -1.3281 | |
| 114 | E | A | -1.1257 | |
| 115 | W | A | 0.0000 | |
| 116 | R | A | -0.6302 | |
| 117 | P | A | 0.0000 | |
| 118 | T | A | -0.8267 | |
| 119 | W | A | 0.0000 | |
| 120 | A | A | -0.0966 | |
| 121 | R | A | 0.0000 | |
| 122 | N | A | 0.0000 | |
| 123 | W | A | -0.3861 | |
| 124 | K | A | -1.6269 | |
| 125 | P | A | -1.2656 | |
| 126 | K | A | -1.1651 | |
| 127 | D | A | -1.0196 | |
| 128 | V | A | -0.7121 | |
| 129 | Y | A | 0.0000 | |
| 130 | K | A | -1.1334 | |
| 131 | N | A | -1.6069 | |
| 132 | R | A | -1.6655 | |
| 133 | S | A | 0.0000 | |
| 134 | I | A | -1.9644 | |
| 135 | E | A | -2.1336 | |
| 136 | L | A | -1.8028 | |
| 137 | V | A | 0.0000 | |
| 138 | Q | A | -1.4977 | |
| 139 | Q | A | -1.9515 | |
| 140 | Q | A | -1.9222 | |
| 141 | N | A | -1.1643 | |
| 142 | V | A | 0.2879 | |
| 143 | Q | A | -0.7403 | |
| 144 | L | A | -0.5181 | |
| 145 | S | A | 0.0462 | |
| 146 | L | A | 0.4889 | |
| 147 | T | A | -0.7579 | |
| 148 | E | A | -2.3802 | |
| 149 | A | A | 0.0000 | |
| 150 | T | A | -2.1409 | |
| 151 | E | A | -3.3502 | |
| 152 | K | A | -3.0868 | |
| 153 | A | A | 0.0000 | |
| 154 | K | A | -3.0746 | |
| 155 | Q | A | -3.4349 | |
| 156 | E | A | -3.2342 | |
| 157 | F | A | 0.0000 | |
| 158 | E | A | -2.4171 | |
| 159 | K | A | -3.0082 | |
| 160 | A | A | -2.0107 | |
| 161 | G | A | 0.0000 | |
| 162 | K | A | -1.7797 | |
| 163 | D | A | -1.4454 | |
| 164 | F | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | V | A | -1.0078 | |
| 167 | E | A | -1.4927 | |
| 168 | T | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | K | A | -0.8425 | |
| 171 | L | A | -0.3148 | |
| 172 | G | A | 0.0000 | |
| 173 | K | A | -0.2654 | |
| 174 | L | A | 0.9523 | |
| 175 | L | A | 0.4047 | |
| 176 | R | A | -0.3778 | |
| 177 | P | A | -0.8460 | |
| 178 | N | A | -1.4074 | |
| 179 | H | A | 0.0000 | |
| 180 | L | A | -0.0994 | |
| 181 | W | A | 0.0000 | |
| 182 | G | A | 0.0000 | |
| 183 | Y | A | 0.0000 | |
| 184 | Y | A | 0.0821 | |
| 185 | L | A | 0.1909 | |
| 186 | F | A | 0.3394 | |
| 187 | P | A | 0.0000 | |
| 188 | D | A | 0.0000 | |
| 189 | C | A | 0.0000 | |
| 190 | Y | A | -0.0042 | |
| 191 | N | A | 0.0000 | |
| 192 | H | A | -1.5662 | |
| 193 | H | A | -2.0877 | |
| 194 | Y | A | -1.9108 | |
| 195 | K | A | -3.0459 | |
| 196 | K | A | -3.0319 | |
| 197 | P | A | -1.8142 | |
| 198 | G | A | -1.4998 | |
| 199 | Y | A | -1.4818 | |
| 200 | N | A | -1.2970 | |
| 201 | G | A | 0.0000 | |
| 202 | S | A | -0.5867 | |
| 203 | C | A | 0.0529 | |
| 204 | F | A | 0.5979 | |
| 205 | N | A | -0.5597 | |
| 206 | V | A | 0.3100 | |
| 207 | E | A | 0.0000 | |
| 208 | I | A | -0.6449 | |
| 209 | K | A | -2.0124 | |
| 210 | R | A | -1.5423 | |
| 211 | N | A | 0.0000 | |
| 212 | D | A | -1.6855 | |
| 213 | D | A | -2.4554 | |
| 214 | L | A | 0.0000 | |
| 215 | S | A | -0.9463 | |
| 216 | W | A | -0.7538 | |
| 217 | L | A | 0.0000 | |
| 218 | W | A | 0.0000 | |
| 219 | N | A | -1.4503 | |
| 220 | E | A | -1.1640 | |
| 221 | S | A | 0.0000 | |
| 222 | T | A | -0.4083 | |
| 223 | A | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | Y | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | Y | A | 0.1458 | |
| 230 | L | A | 0.0000 | |
| 231 | N | A | -0.9681 | |
| 232 | T | A | -1.3748 | |
| 233 | Q | A | -1.7714 | |
| 234 | Q | A | -0.9881 | |
| 235 | S | A | -0.2427 | |
| 236 | P | A | 0.1238 | |
| 237 | V | A | 1.5505 | |
| 238 | A | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | T | A | 0.3673 | |
| 241 | L | A | 0.1442 | |
| 242 | Y | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | R | A | 0.0000 | |
| 245 | N | A | -0.7898 | |
| 246 | R | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | R | A | -1.4088 | |
| 249 | E | A | 0.0000 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | R | A | -0.9950 | |
| 253 | V | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | K | A | -1.2136 | |
| 256 | I | A | -0.6258 | |
| 257 | P | A | -1.2233 | |
| 258 | D | A | -2.0324 | |
| 259 | A | A | -1.3568 | |
| 260 | K | A | -1.9426 | |
| 261 | S | A | -1.3710 | |
| 262 | P | A | 0.0000 | |
| 263 | L | A | -0.4864 | |
| 264 | P | A | 0.0492 | |
| 265 | V | A | 0.0000 | |
| 266 | F | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | Y | A | 0.0000 | |
| 269 | T | A | 0.0000 | |
| 270 | R | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | F | A | 0.0000 | |
| 274 | T | A | -0.5417 | |
| 275 | D | A | -1.3767 | |
| 276 | Q | A | -1.0785 | |
| 277 | V | A | 0.4453 | |
| 278 | L | A | 1.0180 | |
| 279 | K | A | -0.7264 | |
| 280 | F | A | 0.0781 | |
| 281 | L | A | 0.0000 | |
| 282 | S | A | -1.0289 | |
| 283 | Q | A | -1.3664 | |
| 284 | D | A | -2.1613 | |
| 285 | E | A | -1.2706 | |
| 286 | L | A | 0.0000 | |
| 287 | V | A | -0.5885 | |
| 288 | Y | A | -0.0729 | |
| 289 | T | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | E | A | 0.0000 | |
| 293 | T | A | 0.0000 | |
| 294 | V | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | G | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | S | A | 0.0787 | |
| 300 | G | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | W | A | 0.1831 | |
| 305 | G | A | 0.0000 | |
| 306 | T | A | -0.2368 | |
| 307 | L | A | -0.4442 | |
| 308 | S | A | -0.1218 | |
| 309 | I | A | 0.0000 | |
| 310 | M | A | 0.0000 | |
| 311 | R | A | -1.3398 | |
| 312 | S | A | -0.9943 | |
| 313 | M | A | -0.4064 | |
| 314 | K | A | -1.3133 | |
| 315 | S | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | L | A | -0.3037 | |
| 318 | L | A | 0.2103 | |
| 319 | L | A | 0.0000 | |
| 320 | D | A | -1.2817 | |
| 321 | N | A | -1.3559 | |
| 322 | Y | A | 0.0000 | |
| 323 | M | A | 0.0000 | |
| 324 | E | A | -1.3442 | |
| 325 | T | A | -0.7160 | |
| 326 | I | A | -0.1530 | |
| 327 | L | A | 0.0000 | |
| 328 | N | A | 0.0000 | |
| 329 | P | A | -0.2097 | |
| 330 | Y | A | 0.0000 | |
| 331 | I | A | 0.0000 | |
| 332 | I | A | 0.0000 | |
| 333 | N | A | -0.3068 | |
| 334 | V | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | A | A | -0.1423 | |
| 339 | K | A | -0.8558 | |
| 340 | M | A | 0.0000 | |
| 341 | C | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | Q | A | -1.7139 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | C | A | 0.0000 | |
| 347 | Q | A | -2.5784 | |
| 348 | E | A | -2.7314 | |
| 349 | Q | A | -1.8567 | |
| 350 | G | A | 0.0000 | |
| 351 | V | A | -0.3265 | |
| 352 | C | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | R | A | 0.0000 | |
| 355 | K | A | -2.7511 | |
| 356 | N | A | -2.4172 | |
| 357 | W | A | -1.5454 | |
| 358 | N | A | -1.6559 | |
| 359 | S | A | -1.3628 | |
| 360 | S | A | -0.6988 | |
| 361 | D | A | -1.1049 | |
| 362 | Y | A | -0.1025 | |
| 363 | L | A | 0.0000 | |
| 364 | H | A | -0.4498 | |
| 365 | L | A | 0.0000 | |
| 366 | N | A | -1.4571 | |
| 367 | P | A | -1.4667 | |
| 368 | D | A | -2.3530 | |
| 369 | N | A | -2.0540 | |
| 370 | F | A | 0.0000 | |
| 371 | A | A | -1.2629 | |
| 372 | I | A | -0.6514 | |
| 373 | Q | A | -1.7165 | |
| 374 | L | A | -1.5109 | |
| 375 | E | A | -2.7878 | |
| 376 | K | A | -2.9073 | |
| 377 | G | A | -2.0379 | |
| 378 | G | A | -2.2417 | |
| 379 | K | A | -2.4822 | |
| 380 | F | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | R | A | -2.2926 | |
| 384 | G | A | -2.3282 | |
| 385 | K | A | -1.9318 | |
| 386 | P | A | 0.0000 | |
| 387 | T | A | -1.0568 | |
| 388 | L | A | -1.8951 | |
| 389 | E | A | -2.6414 | |
| 390 | D | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | E | A | -3.4555 | |
| 393 | Q | A | -2.9042 | |
| 394 | F | A | 0.0000 | |
| 395 | S | A | -2.6418 | |
| 396 | E | A | -3.0381 | |
| 397 | K | A | -2.6327 | |
| 398 | F | A | 0.0000 | |
| 399 | Y | A | -0.9325 | |
| 400 | C | A | -1.0547 | |
| 401 | S | A | 0.0000 | |
| 402 | C | A | 0.0000 | |
| 403 | Y | A | 0.0000 | |
| 404 | S | A | 0.0000 | |
| 405 | T | A | -0.0633 | |
| 406 | L | A | 0.3286 | |
| 407 | S | A | -0.2922 | |
| 408 | C | A | -1.5262 | |
| 409 | K | A | -2.5451 | |
| 410 | E | A | -2.6090 | |
| 411 | K | A | -2.5330 | |
| 412 | A | A | -2.0112 | |
| 413 | D | A | -3.2207 | |
| 414 | V | A | 0.0000 | |
| 415 | K | A | -3.8248 | |
| 416 | D | A | -3.6261 | |
| 417 | T | A | 0.0000 | |
| 418 | D | A | -2.2833 | |
| 419 | A | A | -1.2565 | |
| 420 | V | A | 0.0000 | |
| 421 | D | A | -2.1977 | |
| 422 | V | A | 0.0000 | |
| 423 | C | A | -0.6345 | |
| 424 | I | A | -0.0612 | |
| 425 | A | A | -0.6994 | |
| 426 | D | A | -1.8930 | |
| 427 | G | A | -1.1252 | |
| 428 | V | A | 0.0000 | |
| 429 | C | A | -1.0394 | |
| 430 | I | A | 0.0000 | |
| 431 | D | A | -2.4393 | |
| 432 | A | A | 0.0000 | |
| 433 | F | A | 0.3551 | |
| 434 | L | A | -0.7320 | |
| 435 | K | A | -1.2873 | |
| 436 | P | A | -0.6413 | |
| 437 | P | A | -0.5258 | |
| 438 | M | A | -0.3949 | |
| 439 | E | A | -2.1559 | |
| 440 | T | A | -2.0690 | |
| 441 | E | A | -3.2872 | |
| 442 | E | A | -3.1596 | |
| 443 | P | A | -1.4481 | |
| 444 | Q | A | -0.4352 | |
| 445 | I | A | 2.3199 | |
| 446 | F | A | 3.0637 | |
| 447 | Y | A | 2.1815 | |
| 448 | G | A | 0.5867 | |
| 449 | G | A | -0.4735 | |
| 450 | G | A | -0.9338 | |
| 451 | G | A | -1.0068 | |
| 452 | S | A | -0.8819 | |
| 453 | G | A | -1.0097 | |
| 454 | G | A | -1.0889 | |
| 455 | G | A | -1.0668 | |
| 456 | G | A | -1.0774 | |
| 457 | S | A | -0.9373 | |
| 458 | G | A | -1.0988 | |
| 459 | G | A | -1.1760 | |
| 460 | G | A | -1.3754 | |
| 461 | G | A | -1.4669 | |
| 462 | S | A | -1.7895 | |
| 463 | D | A | -2.4911 | |
| 464 | A | A | -1.8386 | |
| 465 | H | A | -2.5484 | |
| 466 | K | A | -3.0504 | |
| 467 | S | A | 0.0000 | |
| 468 | E | A | -1.7243 | |
| 469 | V | A | 0.0000 | |
| 470 | A | A | 0.0000 | |
| 471 | H | A | -1.9228 | |
| 472 | R | A | -1.8119 | |
| 473 | F | A | 0.0000 | |
| 474 | K | A | -2.9116 | |
| 475 | D | A | -2.9306 | |
| 476 | L | A | -2.1504 | |
| 477 | G | A | -2.3634 | |
| 478 | E | A | -2.8130 | |
| 479 | E | A | -2.6846 | |
| 480 | N | A | -2.0214 | |
| 481 | F | A | 0.0000 | |
| 482 | K | A | -1.7601 | |
| 483 | A | A | -1.1071 | |
| 484 | L | A | 0.0000 | |
| 485 | V | A | 0.0000 | |
| 486 | L | A | 0.0000 | |
| 487 | I | A | 0.0000 | |
| 488 | A | A | 0.0000 | |
| 489 | F | A | 0.0000 | |
| 490 | A | A | 0.0000 | |
| 491 | Q | A | 0.0000 | |
| 492 | Y | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | Q | A | 0.0000 | |
| 495 | Q | A | -0.9294 | |
| 496 | C | A | 0.0000 | |
| 497 | P | A | -1.2503 | |
| 498 | F | A | 0.0000 | |
| 499 | E | A | -2.7425 | |
| 500 | D | A | -2.4700 | |
| 501 | H | A | 0.0000 | |
| 502 | V | A | -2.1332 | |
| 503 | K | A | -3.0825 | |
| 504 | L | A | -2.0511 | |
| 505 | V | A | 0.0000 | |
| 506 | N | A | -3.0364 | |
| 507 | E | A | -3.2451 | |
| 508 | V | A | 0.0000 | |
| 509 | T | A | 0.0000 | |
| 510 | E | A | -2.9437 | |
| 511 | F | A | -1.7255 | |
| 512 | A | A | 0.0000 | |
| 513 | K | A | -2.2621 | |
| 514 | T | A | -1.6061 | |
| 515 | C | A | 0.0000 | |
| 516 | V | A | -1.2754 | |
| 517 | A | A | -0.9803 | |
| 518 | D | A | -2.3432 | |
| 519 | E | A | -2.7608 | |
| 520 | S | A | -2.1200 | |
| 521 | A | A | -1.9994 | |
| 522 | E | A | -2.7603 | |
| 523 | N | A | -2.2445 | |
| 524 | C | A | 0.0000 | |
| 525 | D | A | -3.3319 | |
| 526 | K | A | -2.1705 | |
| 527 | S | A | -1.1124 | |
| 528 | L | A | 0.0000 | |
| 529 | H | A | -0.7467 | |
| 530 | T | A | -0.9430 | |
| 531 | L | A | 0.0000 | |
| 532 | F | A | -0.3773 | |
| 533 | G | A | 0.0000 | |
| 534 | D | A | -0.9031 | |
| 535 | K | A | -0.8999 | |
| 536 | L | A | 0.0000 | |
| 537 | C | A | -0.4278 | |
| 538 | T | A | -0.1098 | |
| 539 | V | A | -0.2462 | |
| 540 | A | A | -0.4197 | |
| 541 | T | A | -1.1124 | |
| 542 | L | A | 0.0000 | |
| 543 | R | A | -3.3896 | |
| 544 | E | A | -2.9497 | |
| 545 | T | A | -1.7710 | |
| 546 | Y | A | -1.8233 | |
| 547 | G | A | -2.5315 | |
| 548 | E | A | -3.0635 | |
| 549 | M | A | 0.0000 | |
| 550 | A | A | -2.3183 | |
| 551 | D | A | -2.7085 | |
| 552 | C | A | 0.0000 | |
| 553 | C | A | -1.3160 | |
| 554 | A | A | -1.2253 | |
| 555 | K | A | -2.4841 | |
| 556 | Q | A | -2.4194 | |
| 557 | E | A | -2.3238 | |
| 558 | P | A | -2.3005 | |
| 559 | E | A | -3.1914 | |
| 560 | R | A | 0.0000 | |
| 561 | N | A | -2.2099 | |
| 562 | E | A | -3.0091 | |
| 563 | C | A | -2.4761 | |
| 564 | F | A | 0.0000 | |
| 565 | L | A | -1.4270 | |
| 566 | Q | A | -1.7707 | |
| 567 | H | A | -1.4351 | |
| 568 | K | A | 0.0000 | |
| 569 | D | A | -1.6076 | |
| 570 | D | A | -1.5288 | |
| 571 | N | A | -1.8643 | |
| 572 | P | A | -1.5427 | |
| 573 | N | A | -2.0037 | |
| 574 | L | A | -1.1463 | |
| 575 | P | A | -0.7804 | |
| 576 | R | A | -1.0970 | |
| 577 | L | A | 0.9751 | |
| 578 | V | A | 1.1856 | |
| 579 | R | A | -0.1312 | |
| 580 | P | A | -0.7189 | |
| 581 | E | A | -1.8918 | |
| 582 | V | A | -1.3108 | |
| 583 | D | A | -1.7346 | |
| 584 | V | A | -0.2012 | |
| 585 | M | A | 0.0000 | |
| 586 | C | A | 0.0000 | |
| 587 | T | A | -1.0465 | |
| 588 | A | A | -1.0556 | |
| 589 | F | A | 0.0000 | |
| 590 | H | A | -2.4057 | |
| 591 | D | A | -2.9379 | |
| 592 | N | A | -2.6336 | |
| 593 | E | A | -2.5803 | |
| 594 | E | A | -2.7954 | |
| 595 | T | A | -1.6486 | |
| 596 | F | A | -1.4780 | |
| 597 | L | A | -1.3103 | |
| 598 | K | A | -1.1687 | |
| 599 | K | A | -1.2778 | |
| 600 | Y | A | -0.2332 | |
| 601 | L | A | 0.0000 | |
| 602 | Y | A | 0.0000 | |
| 603 | E | A | 0.0000 | |
| 604 | I | A | -0.0840 | |
| 605 | A | A | 0.0000 | |
| 606 | R | A | -0.5364 | |
| 607 | R | A | -0.9050 | |
| 608 | H | A | -0.7083 | |
| 609 | P | A | 0.0000 | |
| 610 | Y | A | -0.2592 | |
| 611 | F | A | 0.0000 | |
| 612 | Y | A | -0.0406 | |
| 613 | A | A | 0.0000 | |
| 614 | P | A | 0.0000 | |
| 615 | E | A | -0.4740 | |
| 616 | L | A | 0.0000 | |
| 617 | L | A | 0.0000 | |
| 618 | F | A | 0.0000 | |
| 619 | F | A | 0.0000 | |
| 620 | A | A | -1.1083 | |
| 621 | K | A | -2.2527 | |
| 622 | R | A | -1.7168 | |
| 623 | Y | A | -1.2258 | |
| 624 | K | A | -1.9156 | |
| 625 | A | A | -1.5051 | |
| 626 | A | A | 0.0000 | |
| 627 | F | A | 0.0000 | |
| 628 | T | A | -1.5754 | |
| 629 | E | A | -2.3267 | |
| 630 | C | A | 0.0000 | |
| 631 | C | A | 0.0000 | |
| 632 | Q | A | -2.0690 | |
| 633 | A | A | -1.7050 | |
| 634 | A | A | -1.2087 | |
| 635 | D | A | -2.1666 | |
| 636 | K | A | -2.0437 | |
| 637 | A | A | -1.0525 | |
| 638 | A | A | -0.5464 | |
| 639 | C | A | -0.9350 | |
| 640 | L | A | 0.0000 | |
| 641 | L | A | -0.2470 | |
| 642 | P | A | -1.0008 | |
| 643 | K | A | -1.7828 | |
| 644 | L | A | 0.0000 | |
| 645 | D | A | -2.6305 | |
| 646 | E | A | -3.7115 | |
| 647 | L | A | 0.0000 | |
| 648 | R | A | -3.7198 | |
| 649 | D | A | -4.1793 | |
| 650 | E | A | -3.1908 | |
| 651 | G | A | -2.6625 | |
| 652 | K | A | -3.0950 | |
| 653 | A | A | -1.9364 | |
| 654 | S | A | -1.4985 | |
| 655 | S | A | 0.0000 | |
| 656 | A | A | -1.1243 | |
| 657 | K | A | -1.3239 | |
| 658 | Q | A | 0.0000 | |
| 659 | R | A | -0.7469 | |
| 660 | L | A | 0.0000 | |
| 661 | K | A | -0.9902 | |
| 662 | C | A | 0.0000 | |
| 663 | A | A | -0.8458 | |
| 664 | S | A | 0.0000 | |
| 665 | L | A | 0.0000 | |
| 666 | Q | A | -2.0128 | |
| 667 | K | A | -1.6285 | |
| 668 | F | A | -1.3741 | |
| 669 | G | A | -2.1038 | |
| 670 | E | A | -3.2370 | |
| 671 | R | A | -3.0778 | |
| 672 | A | A | -1.7256 | |
| 673 | F | A | 0.0000 | |
| 674 | K | A | -1.8505 | |
| 675 | A | A | -1.2560 | |
| 676 | W | A | -0.7116 | |
| 677 | A | A | 0.0000 | |
| 678 | V | A | 0.0000 | |
| 679 | A | A | 0.0000 | |
| 680 | R | A | -0.7650 | |
| 681 | L | A | 0.0000 | |
| 682 | S | A | 0.0000 | |
| 683 | Q | A | 0.0000 | |
| 684 | R | A | -2.1069 | |
| 685 | F | A | 0.0000 | |
| 686 | P | A | 0.0000 | |
| 687 | K | A | -2.2241 | |
| 688 | A | A | 0.0000 | |
| 689 | E | A | -2.1295 | |
| 690 | F | A | -0.8773 | |
| 691 | A | A | -0.7356 | |
| 692 | E | A | -1.1275 | |
| 693 | V | A | 0.0000 | |
| 694 | S | A | -0.7455 | |
| 695 | K | A | -0.9991 | |
| 696 | L | A | 0.0000 | |
| 697 | V | A | 0.0000 | |
| 698 | T | A | -1.0336 | |
| 699 | D | A | -1.2433 | |
| 700 | L | A | -0.5926 | |
| 701 | T | A | 0.0000 | |
| 702 | K | A | -1.2219 | |
| 703 | V | A | 0.0000 | |
| 704 | H | A | 0.0000 | |
| 705 | T | A | -1.0269 | |
| 706 | E | A | -0.8435 | |
| 707 | C | A | 0.0000 | |
| 708 | C | A | 0.0000 | |
| 709 | H | A | -0.9700 | |
| 710 | G | A | 0.0000 | |
| 711 | D | A | -0.5832 | |
| 712 | L | A | 0.0000 | |
| 713 | L | A | 0.0000 | |
| 714 | E | A | -1.1639 | |
| 715 | C | A | 0.0000 | |
| 716 | A | A | 0.0000 | |
| 717 | D | A | -1.5742 | |
| 718 | D | A | -2.0314 | |
| 719 | R | A | 0.0000 | |
| 720 | A | A | -1.6318 | |
| 721 | D | A | -2.6172 | |
| 722 | L | A | 0.0000 | |
| 723 | A | A | 0.0000 | |
| 724 | K | A | -2.6266 | |
| 725 | Y | A | -1.7082 | |
| 726 | I | A | 0.0000 | |
| 727 | C | A | -2.4574 | |
| 728 | E | A | -2.5954 | |
| 729 | N | A | -2.0029 | |
| 730 | Q | A | -2.3751 | |
| 731 | D | A | -2.8022 | |
| 732 | S | A | -1.9904 | |
| 733 | I | A | 0.0000 | |
| 734 | S | A | 0.0000 | |
| 735 | S | A | -2.0877 | |
| 736 | K | A | -2.5849 | |
| 737 | L | A | 0.0000 | |
| 738 | K | A | -3.5331 | |
| 739 | E | A | -3.4811 | |
| 740 | C | A | 0.0000 | |
| 741 | C | A | -2.8755 | |
| 742 | E | A | -3.2620 | |
| 743 | K | A | -2.5587 | |
| 744 | P | A | -0.9980 | |
| 745 | L | A | -0.4847 | |
| 746 | L | A | -0.4617 | |
| 747 | E | A | -1.5563 | |
| 748 | K | A | -1.5398 | |
| 749 | S | A | -1.0338 | |
| 750 | H | A | -1.0014 | |
| 751 | C | A | -1.4135 | |
| 752 | I | A | 0.0000 | |
| 753 | A | A | -1.2798 | |
| 754 | E | A | -2.4479 | |
| 755 | V | A | 0.0000 | |
| 756 | E | A | -3.2519 | |
| 757 | N | A | -3.0899 | |
| 758 | D | A | 0.0000 | |
| 759 | E | A | -2.5487 | |
| 760 | M | A | -1.3888 | |
| 761 | P | A | -1.1299 | |
| 762 | A | A | -0.9415 | |
| 763 | D | A | -1.6853 | |
| 764 | L | A | -0.7732 | |
| 765 | P | A | -0.8670 | |
| 766 | S | A | -0.9052 | |
| 767 | L | A | -0.6937 | |
| 768 | A | A | -0.9881 | |
| 769 | A | A | -1.7419 | |
| 770 | D | A | -2.7527 | |
| 771 | F | A | 0.0000 | |
| 772 | V | A | 0.0000 | |
| 773 | E | A | -3.1586 | |
| 774 | S | A | -2.9257 | |
| 775 | K | A | -3.7361 | |
| 776 | D | A | -4.1015 | |
| 777 | V | A | 0.0000 | |
| 778 | C | A | -2.5297 | |
| 779 | K | A | -3.6803 | |
| 780 | N | A | -3.3576 | |
| 781 | Y | A | 0.0000 | |
| 782 | A | A | -2.4601 | |
| 783 | E | A | -2.8884 | |
| 784 | A | A | -2.0283 | |
| 785 | K | A | -2.0286 | |
| 786 | D | A | -1.9776 | |
| 787 | V | A | -0.5161 | |
| 788 | F | A | 0.0000 | |
| 789 | L | A | 0.0000 | |
| 790 | G | A | -0.2268 | |
| 791 | M | A | 0.1919 | |
| 792 | F | A | 0.0000 | |
| 793 | L | A | 0.0000 | |
| 794 | Y | A | 0.0000 | |
| 795 | E | A | -0.4295 | |
| 796 | Y | A | 0.0000 | |
| 797 | A | A | 0.0000 | |
| 798 | R | A | -1.0918 | |
| 799 | R | A | -0.4566 | |
| 800 | H | A | -0.5793 | |
| 801 | P | A | -1.3537 | |
| 802 | D | A | -1.6382 | |
| 803 | Y | A | -0.6911 | |
| 804 | S | A | 0.0000 | |
| 805 | V | A | 0.0000 | |
| 806 | V | A | 0.0000 | |
| 807 | L | A | 0.0000 | |
| 808 | L | A | 0.0000 | |
| 809 | L | A | 0.0000 | |
| 810 | R | A | 0.0000 | |
| 811 | L | A | 0.0000 | |
| 812 | A | A | -0.7723 | |
| 813 | K | A | -1.5292 | |
| 814 | T | A | -1.1268 | |
| 815 | Y | A | 0.0000 | |
| 816 | E | A | -1.8098 | |
| 817 | T | A | -1.6597 | |
| 818 | T | A | 0.0000 | |
| 819 | L | A | 0.0000 | |
| 820 | E | A | -2.6684 | |
| 821 | K | A | -2.5443 | |
| 822 | C | A | 0.0000 | |
| 823 | C | A | -1.3114 | |
| 824 | A | A | -0.9831 | |
| 825 | A | A | -1.2756 | |
| 826 | A | A | -0.7507 | |
| 827 | D | A | -2.3312 | |
| 828 | P | A | -2.0734 | |
| 829 | H | A | -2.7601 | |
| 830 | E | A | -2.8768 | |
| 831 | C | A | -1.8029 | |
| 832 | Y | A | 0.0000 | |
| 833 | A | A | -1.9491 | |
| 834 | K | A | -2.6476 | |
| 835 | V | A | 0.0000 | |
| 836 | F | A | -1.5891 | |
| 837 | D | A | -3.2068 | |
| 838 | E | A | -2.8818 | |
| 839 | F | A | 0.0000 | |
| 840 | K | A | -2.9010 | |
| 841 | P | A | -2.0326 | |
| 842 | L | A | -1.3547 | |
| 843 | V | A | 0.0000 | |
| 844 | E | A | -2.2843 | |
| 845 | E | A | -2.0323 | |
| 846 | P | A | 0.0000 | |
| 847 | Q | A | -2.5907 | |
| 848 | N | A | -2.6797 | |
| 849 | L | A | -1.7593 | |
| 850 | I | A | 0.0000 | |
| 851 | K | A | -3.4952 | |
| 852 | Q | A | -2.8756 | |
| 853 | N | A | -2.1412 | |
| 854 | C | A | 0.0000 | |
| 855 | E | A | -3.4053 | |
| 856 | L | A | -2.2727 | |
| 857 | F | A | -2.3366 | |
| 858 | E | A | -3.1527 | |
| 859 | Q | A | -2.5570 | |
| 860 | L | A | -1.5899 | |
| 861 | G | A | -1.5124 | |
| 862 | E | A | -1.7001 | |
| 863 | Y | A | -1.0836 | |
| 864 | K | A | -1.4869 | |
| 865 | F | A | 0.0000 | |
| 866 | Q | A | 0.0000 | |
| 867 | N | A | -1.0494 | |
| 868 | A | A | -0.7897 | |
| 869 | L | A | 0.0000 | |
| 870 | L | A | 0.0000 | |
| 871 | V | A | 0.0000 | |
| 872 | R | A | -1.0166 | |
| 873 | Y | A | -0.4942 | |
| 874 | T | A | 0.0000 | |
| 875 | K | A | -1.1061 | |
| 876 | K | A | -0.9071 | |
| 877 | V | A | 0.0000 | |
| 878 | P | A | 0.0000 | |
| 879 | Q | A | -0.4611 | |
| 880 | V | A | 0.0000 | |
| 881 | S | A | -0.2015 | |
| 882 | T | A | 0.0000 | |
| 883 | P | A | -0.6919 | |
| 884 | T | A | -0.7966 | |
| 885 | L | A | 0.0000 | |
| 886 | V | A | 0.0000 | |
| 887 | E | A | -1.8994 | |
| 888 | V | A | 0.0000 | |
| 889 | S | A | 0.0000 | |
| 890 | R | A | -1.0891 | |
| 891 | N | A | -0.9482 | |
| 892 | L | A | 0.0000 | |
| 893 | G | A | 0.0000 | |
| 894 | K | A | -1.4330 | |
| 895 | V | A | 0.0000 | |
| 896 | G | A | 0.0000 | |
| 897 | S | A | -1.9059 | |
| 898 | K | A | -2.2158 | |
| 899 | C | A | 0.0000 | |
| 900 | C | A | 0.0000 | |
| 901 | K | A | -2.9540 | |
| 902 | H | A | -2.5006 | |
| 903 | P | A | -2.2269 | |
| 904 | E | A | -3.2938 | |
| 905 | A | A | -2.1830 | |
| 906 | K | A | -2.8911 | |
| 907 | R | A | -2.7532 | |
| 908 | M | A | 0.0000 | |
| 909 | P | A | -0.8448 | |
| 910 | C | A | -0.7240 | |
| 911 | A | A | 0.0000 | |
| 912 | E | A | 0.0000 | |
| 913 | D | A | 0.0000 | |
| 914 | Y | A | -0.0786 | |
| 915 | L | A | 0.1592 | |
| 916 | S | A | 0.0000 | |
| 917 | V | A | 0.0000 | |
| 918 | V | A | 0.0000 | |
| 919 | L | A | 0.0000 | |
| 920 | N | A | 0.0000 | |
| 921 | Q | A | -0.6199 | |
| 922 | L | A | 0.0000 | |
| 923 | C | A | 0.0000 | |
| 924 | V | A | -0.9142 | |
| 925 | L | A | -0.9330 | |
| 926 | H | A | 0.0000 | |
| 927 | E | A | -2.3296 | |
| 928 | K | A | -2.5870 | |
| 929 | T | A | -1.2306 | |
| 930 | P | A | -1.1466 | |
| 931 | V | A | -0.2639 | |
| 932 | S | A | 0.0000 | |
| 933 | D | A | -2.3136 | |
| 934 | R | A | -1.6127 | |
| 935 | V | A | 0.0000 | |
| 936 | T | A | -2.1269 | |
| 937 | K | A | -2.8220 | |
| 938 | C | A | 0.0000 | |
| 939 | C | A | 0.0000 | |
| 940 | T | A | -1.8212 | |
| 941 | E | A | -2.4011 | |
| 942 | S | A | -1.4042 | |
| 943 | L | A | 0.0000 | |
| 944 | V | A | 0.0000 | |
| 945 | N | A | -0.9479 | |
| 946 | R | A | 0.0000 | |
| 947 | R | A | 0.0000 | |
| 948 | P | A | -0.2441 | |
| 949 | C | A | -0.4793 | |
| 950 | F | A | 0.0000 | |
| 951 | S | A | -0.2550 | |
| 952 | A | A | -0.2297 | |
| 953 | L | A | -0.5718 | |
| 954 | E | A | -1.7693 | |
| 955 | V | A | -0.9784 | |
| 956 | D | A | 0.0000 | |
| 957 | E | A | -1.8161 | |
| 958 | T | A | -0.3322 | |
| 959 | Y | A | 0.1846 | |
| 960 | V | A | 0.8310 | |
| 961 | P | A | -0.6736 | |
| 962 | K | A | -1.9364 | |
| 963 | E | A | -2.3307 | |
| 964 | F | A | -1.3237 | |
| 965 | N | A | -1.6899 | |
| 966 | A | A | -1.4058 | |
| 967 | E | A | -1.8968 | |
| 968 | T | A | -0.9185 | |
| 969 | F | A | -0.6200 | |
| 970 | T | A | -0.9770 | |
| 971 | F | A | -0.9270 | |
| 972 | H | A | -1.6052 | |
| 973 | A | A | -1.8772 | |
| 974 | D | A | -2.1328 | |
| 975 | I | A | 0.0000 | |
| 976 | C | A | -1.4187 | |
| 977 | T | A | -0.7724 | |
| 978 | L | A | -1.2542 | |
| 979 | S | A | -1.6198 | |
| 980 | E | A | -2.9955 | |
| 981 | K | A | -2.9416 | |
| 982 | E | A | -2.0770 | |
| 983 | R | A | -2.1595 | |
| 984 | Q | A | -1.7469 | |
| 985 | I | A | -1.1697 | |
| 986 | K | A | -1.3949 | |
| 987 | K | A | -0.9212 | |
| 988 | Q | A | 0.0000 | |
| 989 | T | A | -0.5371 | |
| 990 | A | A | 0.0000 | |
| 991 | L | A | 0.0000 | |
| 992 | V | A | 0.0000 | |
| 993 | E | A | 0.0000 | |
| 994 | L | A | 0.0000 | |
| 995 | V | A | 0.0000 | |
| 996 | K | A | 0.0000 | |
| 997 | H | A | 0.0000 | |
| 998 | K | A | -0.9977 | |
| 999 | P | A | 0.0000 | |
| 1000 | K | A | -2.2304 | |
| 1001 | A | A | 0.0000 | |
| 1002 | T | A | -2.3064 | |
| 1003 | K | A | -3.3784 | |
| 1004 | E | A | -3.4283 | |
| 1005 | Q | A | -2.4926 | |
| 1006 | L | A | 0.0000 | |
| 1007 | K | A | -3.6410 | |
| 1008 | A | A | -2.6766 | |
| 1009 | V | A | 0.0000 | |
| 1010 | M | A | -2.1285 | |
| 1011 | D | A | -3.0042 | |
| 1012 | D | A | -2.9489 | |
| 1013 | F | A | 0.0000 | |
| 1014 | A | A | -1.8269 | |
| 1015 | A | A | -2.0145 | |
| 1016 | F | A | 0.0000 | |
| 1017 | V | A | 0.0000 | |
| 1018 | E | A | -3.0349 | |
| 1019 | K | A | -2.9628 | |
| 1020 | C | A | 0.0000 | |
| 1021 | C | A | -2.8188 | |
| 1022 | K | A | -3.2988 | |
| 1023 | A | A | -3.1120 | |
| 1024 | D | A | -3.2405 | |
| 1025 | D | A | -3.2957 | |
| 1026 | K | A | -3.3124 | |
| 1027 | E | A | -2.7976 | |
| 1028 | T | A | -2.1173 | |
| 1029 | C | A | -2.6213 | |
| 1030 | F | A | 0.0000 | |
| 1031 | A | A | -2.1293 | |
| 1032 | E | A | -3.1450 | |
| 1033 | E | A | -2.7241 | |
| 1034 | G | A | -2.1505 | |
| 1035 | K | A | -3.1042 | |
| 1036 | K | A | -3.0100 | |
| 1037 | L | A | -1.8358 | |
| 1038 | V | A | -0.9152 | |
| 1039 | A | A | -0.7591 | |
| 1040 | A | A | -0.7089 | |
| 1041 | S | A | 0.0000 | |
| 1042 | Q | A | 0.0933 | |
| 1043 | A | A | 0.2361 | |
| 1044 | A | A | 0.0299 | |
| 1045 | L | A | 0.0000 | |
| 1046 | G | A | 0.1678 | |
| 1047 | L | A | 1.2073 |
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 | -0.6398 | 6.2475 | View | CSV | PDB |
| 4.5 | -0.7315 | 6.2475 | View | CSV | PDB |
| 5.0 | -0.845 | 6.2475 | View | CSV | PDB |
| 5.5 | -0.9588 | 6.2475 | View | CSV | PDB |
| 6.0 | -1.0492 | 6.2475 | View | CSV | PDB |
| 6.5 | -1.0997 | 6.2475 | View | CSV | PDB |
| 7.0 | -1.1088 | 6.2475 | View | CSV | PDB |
| 7.5 | -1.0889 | 6.2474 | View | CSV | PDB |
| 8.0 | -1.0526 | 6.2473 | View | CSV | PDB |
| 8.5 | -1.0047 | 6.2468 | View | CSV | PDB |
| 9.0 | -0.9451 | 6.2452 | 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