| Chain sequence(s) |
A: SEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAA
B: SEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAA 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 globular. Max 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 (00:46:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c75c48ef7ed256a/tmp/folded.pdb (00:46:40)
[INFO] Main: Simulation completed successfully. (00:53:15)
|
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 |
|---|---|---|---|---|
| 5 | S | A | -2.3861 | |
| 6 | E | A | -2.1954 | |
| 7 | V | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | H | A | -2.6320 | |
| 10 | R | A | -2.3782 | |
| 11 | F | A | 0.0000 | |
| 12 | K | A | -3.3875 | |
| 13 | D | A | -3.2527 | |
| 14 | L | A | -2.4645 | |
| 15 | G | A | -2.8088 | |
| 16 | E | A | -3.5234 | |
| 17 | E | A | -3.0674 | |
| 18 | N | A | -2.2172 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -2.2466 | |
| 21 | A | A | -1.2598 | |
| 22 | L | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | A | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | Y | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | Q | A | -1.4692 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.2095 | |
| 36 | F | A | -1.6270 | |
| 37 | E | A | -2.6377 | |
| 38 | D | A | -2.1624 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -2.2266 | |
| 41 | K | A | -3.1617 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -3.0420 | |
| 45 | E | A | -3.2876 | |
| 46 | V | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -2.9844 | |
| 49 | F | A | -1.7425 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.1795 | |
| 52 | T | A | -1.6685 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.2394 | |
| 55 | A | A | -0.9724 | |
| 56 | D | A | -2.3739 | |
| 57 | E | A | -3.4183 | |
| 58 | S | A | -2.3414 | |
| 59 | A | A | -2.3626 | |
| 60 | E | A | -3.0249 | |
| 61 | N | A | -2.7181 | |
| 62 | C | A | 0.0000 | |
| 63 | D | A | -3.2616 | |
| 64 | K | A | -2.1772 | |
| 65 | S | A | -1.2331 | |
| 66 | L | A | 0.0000 | |
| 67 | H | A | -0.7940 | |
| 68 | T | A | -0.9673 | |
| 69 | L | A | -0.9235 | |
| 70 | F | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -1.8739 | |
| 73 | K | A | -1.5173 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -0.6003 | |
| 76 | T | A | -0.2965 | |
| 77 | V | A | -0.1128 | |
| 78 | A | A | 0.0000 | |
| 79 | T | A | -0.8050 | |
| 80 | L | A | -0.6328 | |
| 81 | R | A | -2.9041 | |
| 82 | E | A | -2.6660 | |
| 83 | T | A | -1.6909 | |
| 84 | Y | A | -1.7256 | |
| 85 | G | A | -2.4864 | |
| 86 | E | A | -2.8698 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -1.8343 | |
| 89 | D | A | -2.6611 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -1.5878 | |
| 92 | A | A | -1.6114 | |
| 93 | K | A | -2.9740 | |
| 94 | Q | A | -2.9574 | |
| 95 | E | A | -2.2895 | |
| 96 | P | A | -2.2843 | |
| 97 | E | A | -3.3774 | |
| 98 | R | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | E | A | -3.1852 | |
| 101 | C | A | -2.4209 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | -1.3040 | |
| 104 | Q | A | -1.9082 | |
| 105 | H | A | -1.6368 | |
| 106 | K | A | -1.1432 | |
| 107 | D | A | -1.9880 | |
| 108 | D | A | -1.7772 | |
| 109 | N | A | -2.0419 | |
| 110 | P | A | -1.7687 | |
| 111 | N | A | -2.0650 | |
| 112 | L | A | -1.3213 | |
| 113 | P | A | -0.8539 | |
| 114 | R | A | -1.3449 | |
| 115 | L | A | 0.4568 | |
| 116 | V | A | 0.7496 | |
| 117 | R | A | -0.6983 | |
| 118 | P | A | -1.2141 | |
| 119 | E | A | -2.4091 | |
| 120 | V | A | -1.4507 | |
| 121 | D | A | -1.8342 | |
| 122 | V | A | -0.5250 | |
| 123 | M | A | -0.8631 | |
| 124 | C | A | 0.0000 | |
| 125 | T | A | -1.1687 | |
| 126 | A | A | -1.2543 | |
| 127 | F | A | 0.0000 | |
| 128 | H | A | -2.5475 | |
| 129 | D | A | -3.0789 | |
| 130 | N | A | -2.9868 | |
| 131 | E | A | -2.9721 | |
| 132 | E | A | -2.9980 | |
| 133 | T | A | -1.8427 | |
| 134 | F | A | -1.7526 | |
| 135 | L | A | -1.4224 | |
| 136 | K | A | -1.2857 | |
| 137 | K | A | -1.4187 | |
| 138 | Y | A | -0.5727 | |
| 139 | L | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | E | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | R | A | -0.7906 | |
| 145 | R | A | -1.1504 | |
| 146 | H | A | -0.8639 | |
| 147 | P | A | 0.0000 | |
| 148 | Y | A | -0.3044 | |
| 149 | F | A | 0.0000 | |
| 150 | Y | A | -0.0861 | |
| 151 | A | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | E | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | A | A | -0.7966 | |
| 159 | K | A | -1.4658 | |
| 160 | R | A | -1.2490 | |
| 161 | Y | A | 0.0000 | |
| 162 | K | A | -1.5501 | |
| 163 | A | A | -1.1075 | |
| 164 | A | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | T | A | -1.4379 | |
| 167 | E | A | -1.7217 | |
| 168 | C | A | 0.0000 | |
| 169 | C | A | -1.4075 | |
| 170 | Q | A | -1.7556 | |
| 171 | A | A | -1.2452 | |
| 172 | A | A | -0.6188 | |
| 173 | D | A | -1.1844 | |
| 174 | K | A | -1.5040 | |
| 175 | A | A | -1.1017 | |
| 176 | A | A | -0.3606 | |
| 177 | C | A | -0.8542 | |
| 178 | L | A | 0.0000 | |
| 179 | L | A | -0.9967 | |
| 180 | P | A | -1.6299 | |
| 181 | K | A | -2.3637 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | -3.8152 | |
| 184 | E | A | -4.0104 | |
| 185 | L | A | 0.0000 | |
| 186 | R | A | -3.4007 | |
| 187 | D | A | -4.1098 | |
| 188 | E | A | -3.0336 | |
| 189 | G | A | 0.0000 | |
| 190 | K | A | -2.5944 | |
| 191 | A | A | -1.7914 | |
| 192 | S | A | -1.3620 | |
| 193 | S | A | -1.0600 | |
| 194 | A | A | -1.1759 | |
| 195 | K | A | -1.5689 | |
| 196 | Q | A | 0.0000 | |
| 197 | R | A | -0.7028 | |
| 198 | L | A | -0.6130 | |
| 199 | K | A | -0.6726 | |
| 200 | C | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | -1.8293 | |
| 204 | Q | A | -2.0531 | |
| 205 | K | A | -2.1019 | |
| 206 | F | A | -1.3750 | |
| 207 | G | A | -2.1180 | |
| 208 | E | A | -3.3830 | |
| 209 | R | A | -3.1333 | |
| 210 | A | A | -1.8569 | |
| 211 | F | A | 0.0000 | |
| 212 | K | A | -2.0375 | |
| 213 | A | A | -1.4573 | |
| 214 | W | A | -0.6887 | |
| 215 | A | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | R | A | -0.7199 | |
| 219 | L | A | -0.3473 | |
| 220 | S | A | 0.0000 | |
| 221 | Q | A | 0.0000 | |
| 222 | R | A | -1.8919 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | K | A | -2.2418 | |
| 226 | A | A | 0.0000 | |
| 227 | E | A | -2.2426 | |
| 228 | F | A | -0.8060 | |
| 229 | A | A | -0.8162 | |
| 230 | E | A | -1.2302 | |
| 231 | V | A | 0.0000 | |
| 232 | S | A | -0.9258 | |
| 233 | K | A | -1.7451 | |
| 234 | L | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | T | A | -1.5536 | |
| 237 | D | A | -2.2463 | |
| 238 | L | A | -1.2769 | |
| 239 | T | A | 0.0000 | |
| 240 | K | A | -2.5213 | |
| 241 | V | A | 0.0000 | |
| 242 | H | A | 0.0000 | |
| 243 | T | A | -1.4427 | |
| 244 | E | A | -1.2770 | |
| 245 | C | A | 0.0000 | |
| 246 | C | A | 0.0000 | |
| 247 | H | A | -1.0719 | |
| 248 | G | A | 0.0000 | |
| 249 | D | A | -0.5959 | |
| 250 | L | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | E | A | -1.3696 | |
| 253 | C | A | 0.0000 | |
| 254 | A | A | -1.0916 | |
| 255 | D | A | -1.6322 | |
| 256 | D | A | -2.5775 | |
| 257 | R | A | 0.0000 | |
| 258 | A | A | -1.6555 | |
| 259 | D | A | -2.8839 | |
| 260 | L | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | K | A | -2.7086 | |
| 263 | Y | A | -1.7449 | |
| 264 | I | A | 0.0000 | |
| 265 | C | A | -2.4394 | |
| 266 | E | A | -2.6151 | |
| 267 | N | A | -2.0131 | |
| 268 | Q | A | -2.4337 | |
| 269 | D | A | -2.8227 | |
| 270 | S | A | -2.0166 | |
| 271 | I | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | S | A | -2.2444 | |
| 274 | K | A | -2.6501 | |
| 275 | L | A | 0.0000 | |
| 276 | K | A | -3.5422 | |
| 277 | E | A | -3.4637 | |
| 278 | C | A | 0.0000 | |
| 279 | C | A | -2.7152 | |
| 280 | E | A | -3.0571 | |
| 281 | K | A | -2.2450 | |
| 282 | P | A | -0.5932 | |
| 283 | L | A | 0.2871 | |
| 284 | L | A | 0.1481 | |
| 285 | E | A | -0.6835 | |
| 286 | K | A | -1.2896 | |
| 287 | S | A | 0.0000 | |
| 288 | H | A | -0.6804 | |
| 289 | C | A | -1.1723 | |
| 290 | I | A | 0.0000 | |
| 291 | A | A | -1.1249 | |
| 292 | E | A | -2.3151 | |
| 293 | V | A | -2.1785 | |
| 294 | E | A | -3.0720 | |
| 295 | N | A | -2.9050 | |
| 296 | D | A | 0.0000 | |
| 297 | E | A | -2.5253 | |
| 298 | M | A | -1.4040 | |
| 299 | P | A | -1.1878 | |
| 300 | A | A | -1.1069 | |
| 301 | D | A | -1.6694 | |
| 302 | L | A | -0.7923 | |
| 303 | P | A | -0.8829 | |
| 304 | S | A | -0.7312 | |
| 305 | L | A | -0.7605 | |
| 306 | A | A | -0.9115 | |
| 307 | A | A | -1.7577 | |
| 308 | D | A | -2.8315 | |
| 309 | F | A | 0.0000 | |
| 310 | V | A | -2.0084 | |
| 311 | E | A | -2.9367 | |
| 312 | S | A | -2.9585 | |
| 313 | K | A | -3.5554 | |
| 314 | D | A | -3.6465 | |
| 315 | V | A | 0.0000 | |
| 316 | C | A | -2.3606 | |
| 317 | K | A | -3.4040 | |
| 318 | N | A | -3.1223 | |
| 319 | Y | A | 0.0000 | |
| 320 | A | A | -2.3939 | |
| 321 | E | A | -2.7562 | |
| 322 | A | A | -1.7134 | |
| 323 | K | A | -2.1156 | |
| 324 | D | A | -1.7647 | |
| 325 | V | A | 0.4785 | |
| 326 | F | A | -0.2404 | |
| 327 | L | A | -0.3830 | |
| 328 | G | A | 0.0090 | |
| 329 | M | A | 0.4015 | |
| 330 | F | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | Y | A | 0.0000 | |
| 333 | E | A | -0.5142 | |
| 334 | Y | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | R | A | 0.0000 | |
| 337 | R | A | -0.6659 | |
| 338 | H | A | -0.7320 | |
| 339 | P | A | -1.2021 | |
| 340 | D | A | -1.6361 | |
| 341 | Y | A | -0.6978 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | R | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | A | A | 0.0000 | |
| 351 | K | A | -1.4749 | |
| 352 | T | A | -1.0340 | |
| 353 | Y | A | 0.0000 | |
| 354 | E | A | -1.9258 | |
| 355 | T | A | -1.7111 | |
| 356 | T | A | -1.8462 | |
| 357 | L | A | 0.0000 | |
| 358 | E | A | -2.7073 | |
| 359 | K | A | -2.5593 | |
| 360 | C | A | 0.0000 | |
| 361 | C | A | -1.2628 | |
| 362 | A | A | -0.8947 | |
| 363 | A | A | -1.0767 | |
| 364 | A | A | -0.7219 | |
| 365 | D | A | -1.6930 | |
| 366 | P | A | -1.8010 | |
| 367 | H | A | -2.5931 | |
| 368 | E | A | -2.4375 | |
| 369 | C | A | -1.5336 | |
| 370 | Y | A | 0.0000 | |
| 371 | A | A | -1.8469 | |
| 372 | K | A | -2.7346 | |
| 373 | V | A | 0.0000 | |
| 374 | F | A | -1.7423 | |
| 375 | D | A | -3.4525 | |
| 376 | E | A | -3.3849 | |
| 377 | F | A | 0.0000 | |
| 378 | K | A | -2.9918 | |
| 379 | P | A | -2.0594 | |
| 380 | L | A | -1.4073 | |
| 381 | V | A | -1.4917 | |
| 382 | E | A | -2.1168 | |
| 383 | E | A | -2.0880 | |
| 384 | P | A | 0.0000 | |
| 385 | Q | A | -2.1581 | |
| 386 | N | A | -2.2825 | |
| 387 | L | A | -1.5679 | |
| 388 | I | A | 0.0000 | |
| 389 | K | A | -2.9446 | |
| 390 | Q | A | -2.5473 | |
| 391 | N | A | -1.9044 | |
| 392 | C | A | 0.0000 | |
| 393 | E | A | -3.2304 | |
| 394 | L | A | -2.2919 | |
| 395 | F | A | -2.4126 | |
| 396 | E | A | -3.1675 | |
| 397 | Q | A | -2.6507 | |
| 398 | L | A | -1.8442 | |
| 399 | G | A | -1.7305 | |
| 400 | E | A | -1.9628 | |
| 401 | Y | A | -1.4170 | |
| 402 | K | A | -2.2542 | |
| 403 | F | A | 0.0000 | |
| 404 | Q | A | 0.0000 | |
| 405 | N | A | -1.2838 | |
| 406 | A | A | -1.0067 | |
| 407 | L | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | V | A | -0.6784 | |
| 410 | R | A | -1.2101 | |
| 411 | Y | A | -0.5375 | |
| 412 | T | A | 0.0000 | |
| 413 | K | A | -0.9962 | |
| 414 | K | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | P | A | 0.0000 | |
| 417 | Q | A | -0.1461 | |
| 418 | V | A | 0.0000 | |
| 419 | S | A | -0.1339 | |
| 420 | T | A | 0.0000 | |
| 421 | P | A | -0.4214 | |
| 422 | T | A | -0.4470 | |
| 423 | L | A | 0.0000 | |
| 424 | V | A | 0.0000 | |
| 425 | E | A | -0.8156 | |
| 426 | V | A | 0.0000 | |
| 427 | S | A | 0.0000 | |
| 428 | R | A | -0.9033 | |
| 429 | N | A | -0.7022 | |
| 430 | L | A | 0.0000 | |
| 431 | G | A | 0.0000 | |
| 432 | K | A | -1.2873 | |
| 433 | V | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | S | A | -1.7951 | |
| 436 | K | A | -2.0754 | |
| 437 | C | A | 0.0000 | |
| 438 | C | A | -2.5742 | |
| 439 | K | A | -3.1028 | |
| 440 | H | A | -2.5432 | |
| 441 | P | A | -2.1885 | |
| 442 | E | A | -3.0930 | |
| 443 | A | A | -2.1567 | |
| 444 | K | A | -2.8578 | |
| 445 | R | A | -2.5189 | |
| 446 | M | A | 0.0000 | |
| 447 | P | A | -0.5845 | |
| 448 | C | A | -0.6715 | |
| 449 | A | A | 0.0000 | |
| 450 | E | A | 0.0000 | |
| 451 | D | A | 0.0000 | |
| 452 | Y | A | -0.1916 | |
| 453 | L | A | 0.1228 | |
| 454 | S | A | -0.0541 | |
| 455 | V | A | 0.0000 | |
| 456 | V | A | 0.0000 | |
| 457 | L | A | 0.0000 | |
| 458 | N | A | 0.0000 | |
| 459 | Q | A | -0.4323 | |
| 460 | L | A | 0.0000 | |
| 461 | C | A | 0.0000 | |
| 462 | V | A | 0.0000 | |
| 463 | L | A | -1.3745 | |
| 464 | H | A | 0.0000 | |
| 465 | E | A | -2.4995 | |
| 466 | K | A | -2.7490 | |
| 467 | T | A | -1.2290 | |
| 468 | P | A | -1.0727 | |
| 469 | V | A | 0.1964 | |
| 470 | S | A | 0.0000 | |
| 471 | D | A | -2.0088 | |
| 472 | R | A | -1.4504 | |
| 473 | V | A | 0.0000 | |
| 474 | T | A | -1.7682 | |
| 475 | K | A | -2.2363 | |
| 476 | C | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | T | A | -1.7159 | |
| 479 | E | A | -2.1319 | |
| 480 | S | A | -1.1478 | |
| 481 | L | A | -0.2882 | |
| 482 | V | A | -0.3291 | |
| 483 | N | A | -0.7332 | |
| 484 | R | A | 0.0000 | |
| 485 | R | A | 0.0000 | |
| 486 | P | A | -0.2086 | |
| 487 | C | A | -0.3780 | |
| 488 | F | A | 0.0000 | |
| 489 | S | A | -0.2873 | |
| 490 | A | A | -0.3227 | |
| 491 | L | A | -0.5099 | |
| 492 | E | A | -1.6441 | |
| 493 | V | A | -0.6887 | |
| 494 | D | A | -0.9960 | |
| 495 | E | A | -1.8104 | |
| 496 | T | A | -0.3249 | |
| 497 | Y | A | 0.0334 | |
| 498 | V | A | 0.8579 | |
| 499 | P | A | -0.8637 | |
| 500 | K | A | -2.4481 | |
| 501 | E | A | -2.7363 | |
| 502 | F | A | -2.0039 | |
| 503 | N | A | -2.2986 | |
| 504 | A | A | -1.6960 | |
| 505 | E | A | -2.1799 | |
| 506 | T | A | -1.2746 | |
| 507 | F | A | 0.0000 | |
| 508 | T | A | -1.4464 | |
| 509 | F | A | 0.0000 | |
| 510 | H | A | -1.7668 | |
| 511 | A | A | -2.0485 | |
| 512 | D | A | -2.2429 | |
| 513 | I | A | 0.0000 | |
| 514 | C | A | -1.6722 | |
| 515 | T | A | -1.4376 | |
| 516 | L | A | -1.3376 | |
| 517 | S | A | -1.8346 | |
| 518 | E | A | -2.8560 | |
| 519 | K | A | -2.8576 | |
| 520 | E | A | -1.9331 | |
| 521 | R | A | -1.9247 | |
| 522 | Q | A | -1.6740 | |
| 523 | I | A | -1.1555 | |
| 524 | K | A | -1.6133 | |
| 525 | K | A | -1.0049 | |
| 526 | Q | A | 0.0000 | |
| 527 | T | A | -0.5751 | |
| 528 | A | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | V | A | 0.0000 | |
| 531 | E | A | -0.7435 | |
| 532 | L | A | 0.0000 | |
| 533 | V | A | 0.0000 | |
| 534 | K | A | -0.9851 | |
| 535 | H | A | -1.6024 | |
| 536 | K | A | -1.5154 | |
| 537 | P | A | -1.1409 | |
| 538 | K | A | -2.1479 | |
| 539 | A | A | -1.5617 | |
| 540 | T | A | -2.1100 | |
| 541 | K | A | -3.3175 | |
| 542 | E | A | -3.5461 | |
| 543 | Q | A | -2.8662 | |
| 544 | L | A | 0.0000 | |
| 545 | K | A | -3.6752 | |
| 546 | A | A | -2.6869 | |
| 547 | V | A | 0.0000 | |
| 548 | M | A | 0.0000 | |
| 549 | D | A | -3.1302 | |
| 550 | D | A | -2.9956 | |
| 551 | F | A | 0.0000 | |
| 552 | A | A | -2.0702 | |
| 553 | A | A | -2.2154 | |
| 554 | F | A | 0.0000 | |
| 555 | V | A | 0.0000 | |
| 556 | E | A | -3.1308 | |
| 557 | K | A | -3.0577 | |
| 558 | C | A | 0.0000 | |
| 559 | C | A | -2.7776 | |
| 560 | K | A | -3.2890 | |
| 561 | A | A | -2.7765 | |
| 562 | D | A | -3.0912 | |
| 563 | D | A | -2.9071 | |
| 564 | K | A | -2.9358 | |
| 565 | E | A | -3.1002 | |
| 566 | T | A | -2.2703 | |
| 567 | C | A | -2.1728 | |
| 568 | F | A | 0.0000 | |
| 569 | A | A | -2.3421 | |
| 570 | E | A | -3.1825 | |
| 571 | E | A | -2.6804 | |
| 572 | G | A | 0.0000 | |
| 573 | K | A | -3.1967 | |
| 574 | K | A | -2.9513 | |
| 575 | L | A | -1.8178 | |
| 576 | V | A | -1.2676 | |
| 577 | A | A | -1.0924 | |
| 578 | A | A | -0.7150 | |
| 579 | S | A | 0.0000 | |
| 580 | Q | A | -1.1620 | |
| 581 | A | A | -0.4010 | |
| 582 | A | A | -0.4381 | |
| 5 | S | B | -2.3733 | |
| 6 | E | B | -2.0627 | |
| 7 | V | B | 0.0000 | |
| 8 | A | B | 0.0000 | |
| 9 | H | B | -2.3994 | |
| 10 | R | B | -2.2481 | |
| 11 | F | B | 0.0000 | |
| 12 | K | B | -3.2875 | |
| 13 | D | B | -3.1982 | |
| 14 | L | B | -2.4477 | |
| 15 | G | B | -2.7708 | |
| 16 | E | B | -3.4359 | |
| 17 | E | B | -3.0063 | |
| 18 | N | B | -2.2458 | |
| 19 | F | B | 0.0000 | |
| 20 | K | B | -2.2033 | |
| 21 | A | B | -1.2957 | |
| 22 | L | B | 0.0000 | |
| 23 | V | B | 0.0000 | |
| 24 | L | B | 0.0000 | |
| 25 | I | B | 0.0000 | |
| 26 | A | B | 0.0000 | |
| 27 | F | B | 0.0000 | |
| 28 | A | B | 0.0000 | |
| 29 | Q | B | 0.0000 | |
| 30 | Y | B | 0.0000 | |
| 31 | L | B | 0.0000 | |
| 32 | Q | B | 0.0000 | |
| 33 | Q | B | -1.4576 | |
| 34 | C | B | 0.0000 | |
| 35 | P | B | -1.0451 | |
| 36 | F | B | -1.5427 | |
| 37 | E | B | -2.5519 | |
| 38 | D | B | -2.0238 | |
| 39 | H | B | 0.0000 | |
| 40 | V | B | -2.1412 | |
| 41 | K | B | -2.9675 | |
| 42 | L | B | 0.0000 | |
| 43 | V | B | 0.0000 | |
| 44 | N | B | -2.8658 | |
| 45 | E | B | -3.1167 | |
| 46 | V | B | 0.0000 | |
| 47 | T | B | 0.0000 | |
| 48 | E | B | -2.9678 | |
| 49 | F | B | -1.8016 | |
| 50 | A | B | 0.0000 | |
| 51 | K | B | -2.6630 | |
| 52 | T | B | -1.8335 | |
| 53 | C | B | 0.0000 | |
| 54 | V | B | -1.2914 | |
| 55 | A | B | -1.2785 | |
| 56 | D | B | -2.9043 | |
| 57 | E | B | -3.7051 | |
| 58 | S | B | -2.5332 | |
| 59 | A | B | -2.5666 | |
| 60 | E | B | -3.2636 | |
| 61 | N | B | -3.0859 | |
| 62 | C | B | 0.0000 | |
| 63 | D | B | -3.4493 | |
| 64 | K | B | -2.4873 | |
| 65 | S | B | -1.3863 | |
| 66 | L | B | 0.0000 | |
| 67 | H | B | -0.7076 | |
| 68 | T | B | -0.9294 | |
| 69 | L | B | -0.8824 | |
| 70 | F | B | 0.0000 | |
| 71 | G | B | 0.0000 | |
| 72 | D | B | -1.0807 | |
| 73 | K | B | -0.9704 | |
| 74 | L | B | 0.0000 | |
| 75 | C | B | -0.1259 | |
| 76 | T | B | 0.0022 | |
| 77 | V | B | 0.2410 | |
| 78 | A | B | 0.0000 | |
| 79 | T | B | -0.4856 | |
| 80 | L | B | -0.1883 | |
| 81 | R | B | -2.3924 | |
| 82 | E | B | -2.4101 | |
| 83 | T | B | -1.4636 | |
| 84 | Y | B | -1.5402 | |
| 85 | G | B | -2.2362 | |
| 86 | E | B | -2.7492 | |
| 87 | M | B | 0.0000 | |
| 88 | A | B | -1.5682 | |
| 89 | D | B | -2.4604 | |
| 90 | C | B | 0.0000 | |
| 91 | C | B | -1.3736 | |
| 92 | A | B | -1.4208 | |
| 93 | K | B | -2.8782 | |
| 94 | Q | B | -2.6150 | |
| 95 | E | B | -2.4949 | |
| 96 | P | B | -2.4006 | |
| 97 | E | B | -3.4067 | |
| 98 | R | B | 0.0000 | |
| 99 | N | B | 0.0000 | |
| 100 | E | B | -3.0999 | |
| 101 | C | B | -2.3321 | |
| 102 | F | B | 0.0000 | |
| 103 | L | B | 0.0000 | |
| 104 | Q | B | -1.8760 | |
| 105 | H | B | -1.5762 | |
| 106 | K | B | 0.0000 | |
| 107 | D | B | -1.9920 | |
| 108 | D | B | -1.7607 | |
| 109 | N | B | -2.1060 | |
| 110 | P | B | -1.8650 | |
| 111 | N | B | -2.1217 | |
| 112 | L | B | -1.4145 | |
| 113 | P | B | -0.9918 | |
| 114 | R | B | -1.4222 | |
| 115 | L | B | 0.2527 | |
| 116 | V | B | 0.9023 | |
| 117 | R | B | -0.1755 | |
| 118 | P | B | -0.9455 | |
| 119 | E | B | -2.2606 | |
| 120 | V | B | 0.0000 | |
| 121 | D | B | -2.0297 | |
| 122 | V | B | -0.8025 | |
| 123 | M | B | 0.0000 | |
| 124 | C | B | 0.0000 | |
| 125 | T | B | -1.4611 | |
| 126 | A | B | -1.2937 | |
| 127 | F | B | 0.0000 | |
| 128 | H | B | -2.4139 | |
| 129 | D | B | -3.0095 | |
| 130 | N | B | -2.7266 | |
| 131 | E | B | -2.9815 | |
| 132 | E | B | -3.0346 | |
| 133 | T | B | -1.8392 | |
| 134 | F | B | -1.6213 | |
| 135 | L | B | -1.3157 | |
| 136 | K | B | -1.4208 | |
| 137 | K | B | -1.3811 | |
| 138 | Y | B | -0.3644 | |
| 139 | L | B | 0.0000 | |
| 140 | Y | B | 0.0000 | |
| 141 | E | B | 0.0000 | |
| 142 | I | B | -0.3190 | |
| 143 | A | B | 0.0000 | |
| 144 | R | B | -0.7530 | |
| 145 | R | B | -1.0195 | |
| 146 | H | B | -0.8596 | |
| 147 | P | B | 0.0000 | |
| 148 | Y | B | -0.3793 | |
| 149 | F | B | 0.0000 | |
| 150 | Y | B | 0.0000 | |
| 151 | A | B | 0.0000 | |
| 152 | P | B | 0.0000 | |
| 153 | E | B | 0.0000 | |
| 154 | L | B | 0.0000 | |
| 155 | L | B | 0.0000 | |
| 156 | F | B | 0.0000 | |
| 157 | F | B | 0.0000 | |
| 158 | A | B | -0.5859 | |
| 159 | K | B | -1.1045 | |
| 160 | R | B | -1.0184 | |
| 161 | Y | B | -0.8187 | |
| 162 | K | B | -1.3505 | |
| 163 | A | B | -0.9645 | |
| 164 | A | B | 0.0000 | |
| 165 | F | B | 0.0000 | |
| 166 | T | B | -1.4054 | |
| 167 | E | B | -1.7784 | |
| 168 | C | B | 0.0000 | |
| 169 | C | B | -1.6394 | |
| 170 | Q | B | -1.9471 | |
| 171 | A | B | -1.5971 | |
| 172 | A | B | -1.3368 | |
| 173 | D | B | -2.3731 | |
| 174 | K | B | -2.2038 | |
| 175 | A | B | -1.4770 | |
| 176 | A | B | -0.9606 | |
| 177 | C | B | -1.2152 | |
| 178 | L | B | 0.0000 | |
| 179 | L | B | 0.0000 | |
| 180 | P | B | -1.9146 | |
| 181 | K | B | -2.6837 | |
| 182 | L | B | 0.0000 | |
| 183 | D | B | -4.0741 | |
| 184 | E | B | -4.2429 | |
| 185 | L | B | 0.0000 | |
| 186 | R | B | -4.0376 | |
| 187 | D | B | -4.4049 | |
| 188 | E | B | -3.1765 | |
| 189 | G | B | -2.7303 | |
| 190 | K | B | -2.9548 | |
| 191 | A | B | -1.9641 | |
| 192 | S | B | -1.4864 | |
| 193 | S | B | -1.1879 | |
| 194 | A | B | -1.2622 | |
| 195 | K | B | -1.6941 | |
| 196 | Q | B | 0.0000 | |
| 197 | R | B | -0.7997 | |
| 198 | L | B | 0.0000 | |
| 199 | K | B | -0.9326 | |
| 200 | C | B | 0.0000 | |
| 201 | A | B | 0.0000 | |
| 202 | S | B | 0.0000 | |
| 203 | L | B | 0.0000 | |
| 204 | Q | B | -1.7656 | |
| 205 | K | B | -1.9585 | |
| 206 | F | B | -1.1155 | |
| 207 | G | B | -1.8910 | |
| 208 | E | B | -2.8229 | |
| 209 | R | B | -2.6797 | |
| 210 | A | B | -1.7054 | |
| 211 | F | B | 0.0000 | |
| 212 | K | B | -1.7891 | |
| 213 | A | B | -0.9765 | |
| 214 | W | B | -0.6333 | |
| 215 | A | B | 0.0000 | |
| 216 | V | B | -0.2385 | |
| 217 | A | B | 0.0000 | |
| 218 | R | B | -0.7680 | |
| 219 | L | B | 0.0000 | |
| 220 | S | B | 0.0000 | |
| 221 | Q | B | 0.0000 | |
| 222 | R | B | -2.1188 | |
| 223 | F | B | 0.0000 | |
| 224 | P | B | 0.0000 | |
| 225 | K | B | -2.6895 | |
| 226 | A | B | 0.0000 | |
| 227 | E | B | -2.3024 | |
| 228 | F | B | -0.9048 | |
| 229 | A | B | -0.8034 | |
| 230 | E | B | -1.4001 | |
| 231 | V | B | 0.0000 | |
| 232 | S | B | -0.7267 | |
| 233 | K | B | -1.1030 | |
| 234 | L | B | 0.0000 | |
| 235 | V | B | 0.0000 | |
| 236 | T | B | -0.9274 | |
| 237 | D | B | -1.0889 | |
| 238 | L | B | -0.6357 | |
| 239 | T | B | 0.0000 | |
| 240 | K | B | -1.5992 | |
| 241 | V | B | 0.0000 | |
| 242 | H | B | 0.0000 | |
| 243 | T | B | -1.1273 | |
| 244 | E | B | -1.0909 | |
| 245 | C | B | 0.0000 | |
| 246 | C | B | 0.0000 | |
| 247 | H | B | -1.0080 | |
| 248 | G | B | -0.7313 | |
| 249 | D | B | -0.7250 | |
| 250 | L | B | 0.0000 | |
| 251 | L | B | 0.0000 | |
| 252 | E | B | -1.1826 | |
| 253 | C | B | 0.0000 | |
| 254 | A | B | -0.8878 | |
| 255 | D | B | -1.3552 | |
| 256 | D | B | -1.6801 | |
| 257 | R | B | 0.0000 | |
| 258 | A | B | -1.4491 | |
| 259 | D | B | -2.4361 | |
| 260 | L | B | 0.0000 | |
| 261 | A | B | 0.0000 | |
| 262 | K | B | -2.5826 | |
| 263 | Y | B | -1.6336 | |
| 264 | I | B | 0.0000 | |
| 265 | C | B | -2.2147 | |
| 266 | E | B | -2.6081 | |
| 267 | N | B | -2.0177 | |
| 268 | Q | B | -2.3842 | |
| 269 | D | B | -2.8518 | |
| 270 | S | B | -2.0738 | |
| 271 | I | B | 0.0000 | |
| 272 | S | B | 0.0000 | |
| 273 | S | B | -2.3734 | |
| 274 | K | B | -2.7529 | |
| 275 | L | B | 0.0000 | |
| 276 | K | B | -3.5609 | |
| 277 | E | B | -3.4971 | |
| 278 | C | B | 0.0000 | |
| 279 | C | B | -2.7528 | |
| 280 | E | B | -3.1946 | |
| 281 | K | B | -2.4540 | |
| 282 | P | B | -0.7469 | |
| 283 | L | B | -0.0806 | |
| 284 | L | B | 0.1361 | |
| 285 | E | B | -0.6170 | |
| 286 | K | B | -1.3500 | |
| 287 | S | B | 0.0000 | |
| 288 | H | B | -0.5559 | |
| 289 | C | B | -1.1891 | |
| 290 | I | B | 0.0000 | |
| 291 | A | B | -1.1629 | |
| 292 | E | B | -2.4478 | |
| 293 | V | B | 0.0000 | |
| 294 | E | B | -3.2789 | |
| 295 | N | B | -3.0641 | |
| 296 | D | B | 0.0000 | |
| 297 | E | B | -2.6058 | |
| 298 | M | B | -1.4472 | |
| 299 | P | B | -1.2384 | |
| 300 | A | B | -1.1051 | |
| 301 | D | B | -1.6166 | |
| 302 | L | B | -0.6598 | |
| 303 | P | B | -0.7706 | |
| 304 | S | B | -0.4837 | |
| 305 | L | B | -0.7434 | |
| 306 | A | B | -0.9243 | |
| 307 | A | B | -1.8541 | |
| 308 | D | B | -2.7719 | |
| 309 | F | B | 0.0000 | |
| 310 | V | B | 0.0000 | |
| 311 | E | B | -3.2007 | |
| 312 | S | B | -3.0936 | |
| 313 | K | B | -3.5498 | |
| 314 | D | B | -3.8209 | |
| 315 | V | B | 0.0000 | |
| 316 | C | B | -2.5272 | |
| 317 | K | B | -3.6322 | |
| 318 | N | B | -3.1591 | |
| 319 | Y | B | 0.0000 | |
| 320 | A | B | -2.5535 | |
| 321 | E | B | -2.8590 | |
| 322 | A | B | -1.7301 | |
| 323 | K | B | -2.3227 | |
| 324 | D | B | -1.2256 | |
| 325 | V | B | 0.5842 | |
| 326 | F | B | 0.0000 | |
| 327 | L | B | -0.4559 | |
| 328 | G | B | 0.2506 | |
| 329 | M | B | 0.5135 | |
| 330 | F | B | 0.0000 | |
| 331 | L | B | 0.0000 | |
| 332 | Y | B | 0.0000 | |
| 333 | E | B | -0.3089 | |
| 334 | Y | B | -0.0715 | |
| 335 | A | B | 0.0000 | |
| 336 | R | B | 0.0000 | |
| 337 | R | B | -0.3657 | |
| 338 | H | B | -0.5802 | |
| 339 | P | B | -1.3637 | |
| 340 | D | B | -1.6058 | |
| 341 | Y | B | -0.7356 | |
| 342 | S | B | 0.0000 | |
| 343 | V | B | 0.0000 | |
| 344 | V | B | 0.0000 | |
| 345 | L | B | 0.0000 | |
| 346 | L | B | 0.0000 | |
| 347 | L | B | 0.0000 | |
| 348 | R | B | 0.0000 | |
| 349 | L | B | 0.0000 | |
| 350 | A | B | 0.0000 | |
| 351 | K | B | -1.8168 | |
| 352 | T | B | -1.4148 | |
| 353 | Y | B | 0.0000 | |
| 354 | E | B | -2.4184 | |
| 355 | T | B | -1.9475 | |
| 356 | T | B | -1.9840 | |
| 357 | L | B | 0.0000 | |
| 358 | E | B | -2.9270 | |
| 359 | K | B | -2.6249 | |
| 360 | C | B | 0.0000 | |
| 361 | C | B | -1.5188 | |
| 362 | A | B | -1.0107 | |
| 363 | A | B | -1.2674 | |
| 364 | A | B | -1.0322 | |
| 365 | D | B | -2.3434 | |
| 366 | P | B | -2.2111 | |
| 367 | H | B | -2.9359 | |
| 368 | E | B | -2.8973 | |
| 369 | C | B | -1.7614 | |
| 370 | Y | B | 0.0000 | |
| 371 | A | B | -1.9182 | |
| 372 | K | B | -2.7366 | |
| 373 | V | B | 0.0000 | |
| 374 | F | B | -1.6830 | |
| 375 | D | B | -3.3219 | |
| 376 | E | B | -3.1905 | |
| 377 | F | B | 0.0000 | |
| 378 | K | B | -2.8510 | |
| 379 | P | B | -2.0616 | |
| 380 | L | B | -1.3916 | |
| 381 | V | B | 0.0000 | |
| 382 | E | B | -2.3794 | |
| 383 | E | B | -2.1414 | |
| 384 | P | B | 0.0000 | |
| 385 | Q | B | -2.6509 | |
| 386 | N | B | -3.0209 | |
| 387 | L | B | -2.2132 | |
| 388 | I | B | 0.0000 | |
| 389 | K | B | -3.6111 | |
| 390 | Q | B | -3.0709 | |
| 391 | N | B | -2.2754 | |
| 392 | C | B | 0.0000 | |
| 393 | E | B | -3.3482 | |
| 394 | L | B | -2.2711 | |
| 395 | F | B | -2.2825 | |
| 396 | E | B | -3.1770 | |
| 397 | Q | B | -2.6479 | |
| 398 | L | B | -1.8276 | |
| 399 | G | B | -1.9932 | |
| 400 | E | B | -1.9490 | |
| 401 | Y | B | -1.2357 | |
| 402 | K | B | -2.1133 | |
| 403 | F | B | 0.0000 | |
| 404 | Q | B | 0.0000 | |
| 405 | N | B | -1.2290 | |
| 406 | A | B | -0.9863 | |
| 407 | L | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | V | B | -0.6897 | |
| 410 | R | B | -1.2346 | |
| 411 | Y | B | 0.0000 | |
| 412 | T | B | 0.0000 | |
| 413 | K | B | -1.2297 | |
| 414 | K | B | -0.9398 | |
| 415 | V | B | 0.0000 | |
| 416 | P | B | 0.0000 | |
| 417 | Q | B | -1.1139 | |
| 418 | V | B | 0.0000 | |
| 419 | S | B | -0.4400 | |
| 420 | T | B | -0.6539 | |
| 421 | P | B | -0.5661 | |
| 422 | T | B | -0.5748 | |
| 423 | L | B | 0.0000 | |
| 424 | V | B | 0.0000 | |
| 425 | E | B | -1.2673 | |
| 426 | V | B | 0.0000 | |
| 427 | S | B | 0.0000 | |
| 428 | R | B | -0.8508 | |
| 429 | N | B | -0.7296 | |
| 430 | L | B | 0.0000 | |
| 431 | G | B | 0.0000 | |
| 432 | K | B | -1.0180 | |
| 433 | V | B | 0.0000 | |
| 434 | G | B | 0.0000 | |
| 435 | S | B | -1.4983 | |
| 436 | K | B | -1.4660 | |
| 437 | C | B | 0.0000 | |
| 438 | C | B | -2.4637 | |
| 439 | K | B | -2.9397 | |
| 440 | H | B | -2.3720 | |
| 441 | P | B | -2.1280 | |
| 442 | E | B | -3.1009 | |
| 443 | A | B | -2.1480 | |
| 444 | K | B | -2.8225 | |
| 445 | R | B | -2.5224 | |
| 446 | M | B | 0.0000 | |
| 447 | P | B | -0.6694 | |
| 448 | C | B | -0.6655 | |
| 449 | A | B | 0.0000 | |
| 450 | E | B | 0.0000 | |
| 451 | D | B | -0.2978 | |
| 452 | Y | B | -0.3018 | |
| 453 | L | B | 0.0000 | |
| 454 | S | B | 0.0000 | |
| 455 | V | B | 0.0000 | |
| 456 | V | B | 0.0000 | |
| 457 | L | B | 0.0000 | |
| 458 | N | B | 0.0000 | |
| 459 | Q | B | -0.6748 | |
| 460 | L | B | 0.0000 | |
| 461 | C | B | 0.0000 | |
| 462 | V | B | 0.0000 | |
| 463 | L | B | -0.9621 | |
| 464 | H | B | 0.0000 | |
| 465 | E | B | -1.7052 | |
| 466 | K | B | -1.8076 | |
| 467 | T | B | -0.7658 | |
| 468 | P | B | -0.9216 | |
| 469 | V | B | -0.2496 | |
| 470 | S | B | 0.0000 | |
| 471 | D | B | -2.2652 | |
| 472 | R | B | -1.6979 | |
| 473 | V | B | 0.0000 | |
| 474 | T | B | -1.8939 | |
| 475 | K | B | -2.5519 | |
| 476 | C | B | 0.0000 | |
| 477 | C | B | 0.0000 | |
| 478 | T | B | -1.7550 | |
| 479 | E | B | -2.3753 | |
| 480 | S | B | -1.1984 | |
| 481 | L | B | -0.5992 | |
| 482 | V | B | 0.0000 | |
| 483 | N | B | -0.9822 | |
| 484 | R | B | 0.0000 | |
| 485 | R | B | 0.0000 | |
| 486 | P | B | -0.2642 | |
| 487 | C | B | -0.4864 | |
| 488 | F | B | 0.0000 | |
| 489 | S | B | -0.4207 | |
| 490 | A | B | -0.3139 | |
| 491 | L | B | -0.4840 | |
| 492 | E | B | -1.5349 | |
| 493 | V | B | -0.4501 | |
| 494 | D | B | -1.1101 | |
| 495 | E | B | -1.8180 | |
| 496 | T | B | -0.3608 | |
| 497 | Y | B | 0.0564 | |
| 498 | V | B | 0.7585 | |
| 499 | P | B | -1.1125 | |
| 500 | K | B | -2.4660 | |
| 501 | E | B | -2.7737 | |
| 502 | F | B | -1.8827 | |
| 503 | N | B | -1.8160 | |
| 504 | A | B | -1.4899 | |
| 505 | E | B | -2.0232 | |
| 506 | T | B | -1.1295 | |
| 507 | F | B | 0.0000 | |
| 508 | T | B | -1.3124 | |
| 509 | F | B | 0.0000 | |
| 510 | H | B | -1.8254 | |
| 511 | A | B | -1.9972 | |
| 512 | D | B | -2.2357 | |
| 513 | I | B | 0.0000 | |
| 514 | C | B | -1.6108 | |
| 515 | T | B | -1.2588 | |
| 516 | L | B | -1.2315 | |
| 517 | S | B | -1.6860 | |
| 518 | E | B | -2.8491 | |
| 519 | K | B | -2.8488 | |
| 520 | E | B | -1.8561 | |
| 521 | R | B | -1.8573 | |
| 522 | Q | B | -1.5706 | |
| 523 | I | B | -1.0804 | |
| 524 | K | B | -1.1196 | |
| 525 | K | B | -0.8122 | |
| 526 | Q | B | 0.0000 | |
| 527 | T | B | -0.4710 | |
| 528 | A | B | 0.0000 | |
| 529 | L | B | 0.0000 | |
| 530 | V | B | 0.0000 | |
| 531 | E | B | -0.7543 | |
| 532 | L | B | -0.8738 | |
| 533 | V | B | 0.0000 | |
| 534 | K | B | -1.4048 | |
| 535 | H | B | 0.0000 | |
| 536 | K | B | -2.8374 | |
| 537 | P | B | -1.7085 | |
| 538 | K | B | -2.5140 | |
| 539 | A | B | -1.9058 | |
| 540 | T | B | -2.4148 | |
| 541 | K | B | -3.3299 | |
| 542 | E | B | -3.5384 | |
| 543 | Q | B | -2.8361 | |
| 544 | L | B | 0.0000 | |
| 545 | K | B | -3.6190 | |
| 546 | A | B | -2.6001 | |
| 547 | V | B | -1.8206 | |
| 548 | M | B | 0.0000 | |
| 549 | D | B | -3.0271 | |
| 550 | D | B | -2.8386 | |
| 551 | F | B | 0.0000 | |
| 552 | A | B | -2.0058 | |
| 553 | A | B | -2.1524 | |
| 554 | F | B | 0.0000 | |
| 555 | V | B | 0.0000 | |
| 556 | E | B | -3.0989 | |
| 557 | K | B | -2.9913 | |
| 558 | C | B | 0.0000 | |
| 559 | C | B | -2.7665 | |
| 560 | K | B | -3.2474 | |
| 561 | A | B | -2.8346 | |
| 562 | D | B | -3.1402 | |
| 563 | D | B | -3.0360 | |
| 564 | K | B | -3.1873 | |
| 565 | E | B | -3.5819 | |
| 566 | T | B | -2.3817 | |
| 567 | C | B | -2.3061 | |
| 568 | F | B | 0.0000 | |
| 569 | A | B | -2.3278 | |
| 570 | E | B | -2.8049 | |
| 571 | E | B | -2.2798 | |
| 572 | G | B | 0.0000 | |
| 573 | K | B | -3.0480 | |
| 574 | K | B | -2.8489 | |
| 575 | L | B | -1.8001 | |
| 576 | V | B | -1.2526 | |
| 577 | A | B | -1.0514 | |
| 578 | A | B | -0.8997 | |
| 579 | S | B | -0.7500 | |
| 580 | Q | B | -1.3245 | |
| 581 | A | B | -0.4532 | |
| 582 | A | B | -0.5838 |
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 | -0.9814 | 1.8403 | View | CSV | PDB |
| 4.5 | -1.0949 | 1.7536 | View | CSV | PDB |
| 5.0 | -1.2392 | 1.6295 | View | CSV | PDB |
| 5.5 | -1.3857 | 1.4851 | View | CSV | PDB |
| 6.0 | -1.5031 | 1.3878 | View | CSV | PDB |
| 6.5 | -1.5689 | 1.3559 | View | CSV | PDB |
| 7.0 | -1.5801 | 1.3378 | View | CSV | PDB |
| 7.5 | -1.5521 | 1.3301 | View | CSV | PDB |
| 8.0 | -1.5022 | 1.4296 | View | CSV | PDB |
| 8.5 | -1.4387 | 1.5752 | View | CSV | PDB |
| 9.0 | -1.3621 | 1.72 | 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