| Chain sequence(s) |
A: MTNKFTNQYSLSKTLRFELIPQGKTLEFIQEKGLLSQDKQRAESYQEMKKTIDKFHKYFIDLALSNAKLTHLETYLELYNKSAETKKEQKFKDDLKKVQDNLRKEIVKSFSDGDAKSIFAILDKKELITVELEKWFENNEQKDIYFDEKFKTFTTYFTGFHQNRKNMYSVEPNSTAIAYRLIHENLPKFLENAKAFEKIKQVESLQVNFRELMGEFGDEGLIFVNELEEMFQINYYNDVLSQNGITIYNSIISGFTKNDIKYKGLNEYINNYNQTKDKKDRLPKLKQLYKQILSDRISLSFLPDAFTDGKQVLKAIFDFYKINLLSYTIEGQEESQNLLLLIRQTIENLSSFDTQKIYLKNDTHLTTISQQVFGDFSVFSTALNYWYETKVNPKFETEYSKANEKKREILDKAKAVFTKQDYFSIAFLQEVLSEYILTLDHTSDIVKKHSSNCIADYFKNHFVAKKENETDKTFDFIANITAKYQCIQGILENADQYEDELKQDQKLIDNLKFFLDAILELLHFIKPLHLKSESITEKDTAFYDVFENYYEALSLLTPLYNMVRNYVTQKPYSTEKIKLNFENAQLLNGWDANKEGDYLTTILKKDGNYFLAIMDKKHNKAFQKFPEGKENYEKMVYKLLPGVNKMLPKVFFSNKNIAYFNPSKELLENYKKETHKKGDTFNLEHCHTLIDFFKDSLNKHEDWKYFDFQFSETKSYQDLSGFYREVEHQGYKINFKNIDSEYIDGLVNEGKLFLFQIYSKDFSPFSKGKPNMHTLYWKALFEEQNLQNVIYKLNGQAEIFFRKASIKPKNIILHKKKIKIAKKHFIDKKTKTSEIVPVQTIKNLNMYYQGKISEKELTQDDLRYIDNFSIFNEKNKTIDIIKDKRFTVDKFQFHVPITMNFKATGGSYINQTVLEYLQNNPEVKIIGLDRGERHLVYLTLIDQQGNILKQESLNTITDSKISTPYHKLLDNKENERDLARKNWGTVENIKELKEGYISQVVHKIATLMLEENAIVVMEDLNFGFKRGRFKVEKQIYQKLEKMLIDKLNYLVLKDKQPQELGGLYNALQLTNKFESFQKMGKQSGFLFYVPAWNTSKIDPTTGFVNYFYTKYENVDKAKAFFEKFEAIRFNAEKKYFEFEVKKYSDFNPKAEGTQQAWTICTYGERIETKRQKDQNNKFVSTPINLTEKIEDFLGKNQIVYGDGNCIKSQIASKDDKAFFETLLYWFKMTLQMRNSETRTDIDYLISPVMNDNGTFYNSRDYEKLENPTLPKDADANGAYHIAKKGLMLLNKIDQADLTKKVDLSISNRDWLQFVQKNK
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] (00:00:02)
[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 A 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. (00:00:17)
[INFO] FoldX: Starting FoldX energy minimization (00:00:17)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:56:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b369a5d3e30a593/tmp/folded.pdb (00:56:31)
[INFO] Main: Simulation completed successfully. (01:24:15)
|
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 |
|---|---|---|---|---|
| 1 | M | A | -0.7112 | |
| 2 | T | A | -0.9345 | |
| 3 | N | A | -2.1565 | |
| 4 | K | A | -2.0646 | |
| 5 | F | A | 0.0000 | |
| 6 | T | A | 0.0000 | |
| 7 | N | A | -1.5004 | |
| 8 | Q | A | -1.1750 | |
| 9 | Y | A | 0.0000 | |
| 10 | S | A | -0.4199 | |
| 11 | L | A | -0.3619 | |
| 12 | S | A | -0.6231 | |
| 13 | K | A | -1.2790 | |
| 14 | T | A | -1.0825 | |
| 15 | L | A | 0.0000 | |
| 16 | R | A | -2.2281 | |
| 17 | F | A | 0.0000 | |
| 18 | E | A | -0.7446 | |
| 19 | L | A | 0.0000 | |
| 20 | I | A | 0.5523 | |
| 21 | P | A | -0.1085 | |
| 22 | Q | A | -0.8293 | |
| 23 | G | A | -1.4410 | |
| 24 | K | A | -2.0833 | |
| 25 | T | A | 0.0000 | |
| 26 | L | A | -0.8763 | |
| 27 | E | A | -2.7441 | |
| 28 | F | A | -2.3059 | |
| 29 | I | A | 0.0000 | |
| 30 | Q | A | -2.5866 | |
| 31 | E | A | -2.9742 | |
| 32 | K | A | -2.0637 | |
| 33 | G | A | -1.8007 | |
| 34 | L | A | 0.0000 | |
| 35 | L | A | -1.1091 | |
| 36 | S | A | -1.3456 | |
| 37 | Q | A | -1.7057 | |
| 38 | D | A | 0.0000 | |
| 39 | K | A | -2.5352 | |
| 40 | Q | A | -2.4545 | |
| 41 | R | A | -2.2779 | |
| 42 | A | A | -2.2687 | |
| 43 | E | A | -3.0915 | |
| 44 | S | A | 0.0000 | |
| 45 | Y | A | -1.9153 | |
| 46 | Q | A | -2.6953 | |
| 47 | E | A | -2.4181 | |
| 48 | M | A | 0.0000 | |
| 49 | K | A | -1.9761 | |
| 50 | K | A | -2.6343 | |
| 51 | T | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | D | A | -1.5665 | |
| 54 | K | A | -1.7546 | |
| 55 | F | A | 0.0000 | |
| 56 | H | A | 0.0000 | |
| 57 | K | A | -0.7706 | |
| 58 | Y | A | -0.1281 | |
| 59 | F | A | 0.0000 | |
| 60 | I | A | 0.0000 | |
| 61 | D | A | -0.8571 | |
| 62 | L | A | -0.5490 | |
| 63 | A | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | S | A | -1.7473 | |
| 66 | N | A | -2.3328 | |
| 67 | A | A | -2.2884 | |
| 68 | K | A | -2.5973 | |
| 69 | L | A | 0.0000 | |
| 70 | T | A | -1.2836 | |
| 71 | H | A | -1.1938 | |
| 72 | L | A | 0.0000 | |
| 73 | E | A | -2.3738 | |
| 74 | T | A | -1.5402 | |
| 75 | Y | A | 0.0000 | |
| 76 | L | A | -1.4559 | |
| 77 | E | A | -2.5049 | |
| 78 | L | A | -1.8050 | |
| 79 | Y | A | -1.2608 | |
| 80 | N | A | -2.0108 | |
| 81 | K | A | -2.0040 | |
| 82 | S | A | -1.6568 | |
| 83 | A | A | -1.8393 | |
| 84 | E | A | -2.8215 | |
| 85 | T | A | -2.8394 | |
| 86 | K | A | -3.1776 | |
| 87 | K | A | -3.6975 | |
| 88 | E | A | -3.7425 | |
| 89 | Q | A | -4.0362 | |
| 90 | K | A | -4.4485 | |
| 91 | F | A | 0.0000 | |
| 92 | K | A | -5.0728 | |
| 93 | D | A | -5.1553 | |
| 94 | D | A | -4.3470 | |
| 95 | L | A | -3.5130 | |
| 96 | K | A | -4.1663 | |
| 97 | K | A | -3.8511 | |
| 98 | V | A | -2.4900 | |
| 99 | Q | A | -2.2163 | |
| 100 | D | A | -2.5973 | |
| 101 | N | A | -2.2321 | |
| 102 | L | A | 0.0000 | |
| 103 | R | A | 0.0000 | |
| 104 | K | A | -2.7148 | |
| 105 | E | A | -2.1896 | |
| 106 | I | A | 0.0000 | |
| 107 | V | A | -1.6058 | |
| 108 | K | A | -2.7522 | |
| 109 | S | A | -2.6688 | |
| 110 | F | A | 0.0000 | |
| 111 | S | A | -2.4913 | |
| 112 | D | A | -3.5223 | |
| 113 | G | A | -2.8461 | |
| 114 | D | A | -2.9068 | |
| 115 | A | A | 0.0000 | |
| 116 | K | A | -3.0969 | |
| 117 | S | A | -1.5119 | |
| 118 | I | A | -0.6752 | |
| 119 | F | A | -0.8584 | |
| 120 | A | A | -0.4593 | |
| 121 | I | A | -0.8912 | |
| 122 | L | A | 0.0000 | |
| 123 | D | A | -2.1924 | |
| 124 | K | A | -2.5690 | |
| 125 | K | A | -2.6890 | |
| 126 | E | A | -1.5841 | |
| 127 | L | A | 0.0000 | |
| 128 | I | A | 0.0000 | |
| 129 | T | A | -1.3986 | |
| 130 | V | A | -0.1912 | |
| 131 | E | A | -0.7758 | |
| 132 | L | A | 0.0000 | |
| 133 | E | A | -2.1831 | |
| 134 | K | A | -2.7555 | |
| 135 | W | A | 0.0000 | |
| 136 | F | A | -3.4234 | |
| 137 | E | A | -4.2852 | |
| 138 | N | A | -3.5547 | |
| 139 | N | A | -3.2512 | |
| 140 | E | A | -4.0787 | |
| 141 | Q | A | -3.7517 | |
| 142 | K | A | -3.6772 | |
| 143 | D | A | -2.7483 | |
| 144 | I | A | -1.6131 | |
| 145 | Y | A | -0.4652 | |
| 146 | F | A | -0.7323 | |
| 147 | D | A | 0.0000 | |
| 148 | E | A | -2.9148 | |
| 149 | K | A | -2.8348 | |
| 150 | F | A | 0.0000 | |
| 151 | K | A | -2.1403 | |
| 152 | T | A | -1.4559 | |
| 153 | F | A | 0.0000 | |
| 154 | T | A | -1.2561 | |
| 155 | T | A | -0.7715 | |
| 156 | Y | A | -0.0427 | |
| 157 | F | A | 0.0000 | |
| 158 | T | A | -1.3412 | |
| 159 | G | A | -1.3898 | |
| 160 | F | A | 0.0000 | |
| 161 | H | A | 0.0000 | |
| 162 | Q | A | -2.7444 | |
| 163 | N | A | -2.5956 | |
| 164 | R | A | -1.9950 | |
| 165 | K | A | -2.1366 | |
| 166 | N | A | -2.2070 | |
| 167 | M | A | 0.0000 | |
| 168 | Y | A | 0.0000 | |
| 169 | S | A | -1.2073 | |
| 170 | V | A | -1.5399 | |
| 171 | E | A | -2.3938 | |
| 172 | P | A | -1.7812 | |
| 173 | N | A | -1.9302 | |
| 174 | S | A | -1.2057 | |
| 175 | T | A | -1.0420 | |
| 176 | A | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | Y | A | -0.7808 | |
| 180 | R | A | -0.5545 | |
| 181 | L | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | H | A | -0.6269 | |
| 184 | E | A | -0.5196 | |
| 185 | N | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | P | A | -0.4649 | |
| 188 | K | A | -1.0160 | |
| 189 | F | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | E | A | -1.3965 | |
| 192 | N | A | 0.0000 | |
| 193 | A | A | -1.5001 | |
| 194 | K | A | -2.0176 | |
| 195 | A | A | -1.7886 | |
| 196 | F | A | 0.0000 | |
| 197 | E | A | -2.9657 | |
| 198 | K | A | -2.7952 | |
| 199 | I | A | 0.0000 | |
| 200 | K | A | -2.5623 | |
| 201 | Q | A | -2.6645 | |
| 202 | V | A | -1.9333 | |
| 203 | E | A | -2.0614 | |
| 204 | S | A | -0.9013 | |
| 205 | L | A | 0.0000 | |
| 206 | Q | A | -1.0662 | |
| 207 | V | A | 0.1483 | |
| 208 | N | A | -0.9860 | |
| 209 | F | A | 0.0000 | |
| 210 | R | A | -2.5639 | |
| 211 | E | A | -2.7313 | |
| 212 | L | A | 0.0000 | |
| 213 | M | A | -1.9679 | |
| 214 | G | A | -2.7716 | |
| 215 | E | A | -3.3430 | |
| 216 | F | A | 0.0000 | |
| 217 | G | A | -1.8572 | |
| 218 | D | A | -2.8874 | |
| 219 | E | A | -2.0806 | |
| 220 | G | A | -1.1321 | |
| 221 | L | A | -0.1462 | |
| 222 | I | A | 0.2545 | |
| 223 | F | A | 1.4548 | |
| 224 | V | A | 0.0188 | |
| 225 | N | A | -1.5243 | |
| 226 | E | A | -2.1805 | |
| 227 | L | A | 0.0000 | |
| 228 | E | A | -2.3288 | |
| 229 | E | A | -1.7924 | |
| 230 | M | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | Q | A | -1.3892 | |
| 233 | I | A | -1.0877 | |
| 234 | N | A | -2.2532 | |
| 235 | Y | A | -1.4915 | |
| 236 | Y | A | 0.0000 | |
| 237 | N | A | -2.0293 | |
| 238 | D | A | -2.4728 | |
| 239 | V | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | S | A | 0.0000 | |
| 242 | Q | A | -1.2340 | |
| 243 | N | A | -1.8762 | |
| 244 | G | A | -1.3909 | |
| 245 | I | A | 0.0000 | |
| 246 | T | A | -0.7676 | |
| 247 | I | A | 0.0000 | |
| 248 | Y | A | 0.0000 | |
| 249 | N | A | -0.7506 | |
| 250 | S | A | -0.2716 | |
| 251 | I | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | S | A | -0.8906 | |
| 254 | G | A | -0.7218 | |
| 255 | F | A | -0.2461 | |
| 256 | T | A | -0.9345 | |
| 257 | K | A | -1.7423 | |
| 258 | N | A | -2.1364 | |
| 259 | D | A | -1.8840 | |
| 260 | I | A | 0.0921 | |
| 261 | K | A | -0.7790 | |
| 262 | Y | A | -0.8672 | |
| 263 | K | A | -1.5969 | |
| 264 | G | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | N | A | -0.9600 | |
| 267 | E | A | -1.4226 | |
| 268 | Y | A | -0.8859 | |
| 269 | I | A | 0.0000 | |
| 270 | N | A | -1.6497 | |
| 271 | N | A | -2.0212 | |
| 272 | Y | A | -1.4734 | |
| 273 | N | A | 0.0000 | |
| 274 | Q | A | -2.4379 | |
| 275 | T | A | -2.0380 | |
| 276 | K | A | -3.2694 | |
| 277 | D | A | -3.8748 | |
| 278 | K | A | -3.2958 | |
| 279 | K | A | -3.6678 | |
| 280 | D | A | -3.7722 | |
| 281 | R | A | -2.8985 | |
| 282 | L | A | 0.0000 | |
| 283 | P | A | -1.1633 | |
| 284 | K | A | -0.9784 | |
| 285 | L | A | 0.0000 | |
| 286 | K | A | -1.6311 | |
| 287 | Q | A | -1.4710 | |
| 288 | L | A | 0.0000 | |
| 289 | Y | A | -0.2255 | |
| 290 | K | A | -1.2941 | |
| 291 | Q | A | 0.0000 | |
| 292 | I | A | -0.3099 | |
| 293 | L | A | -1.0129 | |
| 294 | S | A | -1.3369 | |
| 295 | D | A | -2.3800 | |
| 296 | R | A | -1.8028 | |
| 297 | I | A | 0.5767 | |
| 298 | S | A | -0.1659 | |
| 299 | L | A | 0.3858 | |
| 300 | S | A | 0.3285 | |
| 301 | F | A | 0.0483 | |
| 302 | L | A | 0.0000 | |
| 303 | P | A | -0.8425 | |
| 304 | D | A | -1.7092 | |
| 305 | A | A | -1.0321 | |
| 306 | F | A | -0.7573 | |
| 307 | T | A | -0.7474 | |
| 308 | D | A | -1.9422 | |
| 309 | G | A | 0.0000 | |
| 310 | K | A | -2.8181 | |
| 311 | Q | A | -1.4407 | |
| 312 | V | A | 0.0000 | |
| 313 | L | A | 0.0000 | |
| 314 | K | A | -1.8448 | |
| 315 | A | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | F | A | -0.7970 | |
| 318 | D | A | -0.7680 | |
| 319 | F | A | 0.0000 | |
| 320 | Y | A | 0.0000 | |
| 321 | K | A | -0.1784 | |
| 322 | I | A | 1.1882 | |
| 323 | N | A | 0.4536 | |
| 324 | L | A | 0.0000 | |
| 325 | L | A | 0.2739 | |
| 326 | S | A | -0.0471 | |
| 327 | Y | A | -0.1456 | |
| 328 | T | A | -1.2717 | |
| 329 | I | A | -1.4941 | |
| 330 | E | A | -2.5753 | |
| 331 | G | A | -2.7112 | |
| 332 | Q | A | -3.0586 | |
| 333 | E | A | -3.5662 | |
| 334 | E | A | -3.2164 | |
| 335 | S | A | -1.6774 | |
| 336 | Q | A | -1.2084 | |
| 337 | N | A | -0.1044 | |
| 338 | L | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | L | A | 0.2105 | |
| 341 | L | A | -0.0389 | |
| 342 | I | A | 0.0000 | |
| 343 | R | A | -1.0667 | |
| 344 | Q | A | -1.5957 | |
| 345 | T | A | -0.9930 | |
| 346 | I | A | 0.0000 | |
| 347 | E | A | -2.1828 | |
| 348 | N | A | -1.9330 | |
| 349 | L | A | 0.0000 | |
| 350 | S | A | -0.9542 | |
| 351 | S | A | -0.6959 | |
| 352 | F | A | -0.8094 | |
| 353 | D | A | -1.3124 | |
| 354 | T | A | -0.9692 | |
| 355 | Q | A | -1.7655 | |
| 356 | K | A | -1.8953 | |
| 357 | I | A | 0.0000 | |
| 358 | Y | A | -0.5709 | |
| 359 | L | A | 0.0000 | |
| 360 | K | A | -1.7496 | |
| 361 | N | A | -1.9851 | |
| 362 | D | A | -1.5871 | |
| 363 | T | A | -0.3641 | |
| 364 | H | A | -0.9177 | |
| 365 | L | A | 0.0000 | |
| 366 | T | A | 0.0007 | |
| 367 | T | A | -0.2988 | |
| 368 | I | A | 0.0000 | |
| 369 | S | A | 0.0000 | |
| 370 | Q | A | -0.6186 | |
| 371 | Q | A | -1.0386 | |
| 372 | V | A | 0.0000 | |
| 373 | F | A | 0.0000 | |
| 374 | G | A | -1.1528 | |
| 375 | D | A | -0.2550 | |
| 376 | F | A | 1.1432 | |
| 377 | S | A | 0.5174 | |
| 378 | V | A | 0.0000 | |
| 379 | F | A | 0.0000 | |
| 380 | S | A | -0.2210 | |
| 381 | T | A | 0.0326 | |
| 382 | A | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | N | A | -0.2920 | |
| 385 | Y | A | -0.2720 | |
| 386 | W | A | -0.5943 | |
| 387 | Y | A | 0.0000 | |
| 388 | E | A | -1.6704 | |
| 389 | T | A | -1.3829 | |
| 390 | K | A | -1.3380 | |
| 391 | V | A | -0.0071 | |
| 392 | N | A | -1.4342 | |
| 393 | P | A | -1.9987 | |
| 394 | K | A | -2.9401 | |
| 395 | F | A | 0.0000 | |
| 396 | E | A | -3.2376 | |
| 397 | T | A | -2.6143 | |
| 398 | E | A | -3.0828 | |
| 399 | Y | A | 0.0000 | |
| 400 | S | A | -2.5160 | |
| 401 | K | A | -2.9476 | |
| 402 | A | A | -2.6532 | |
| 403 | N | A | -3.1277 | |
| 404 | E | A | -2.8485 | |
| 405 | K | A | -2.8064 | |
| 406 | K | A | -2.5248 | |
| 407 | R | A | 0.0000 | |
| 408 | E | A | -2.6248 | |
| 409 | I | A | -0.3746 | |
| 410 | L | A | 0.0000 | |
| 411 | D | A | -1.4942 | |
| 412 | K | A | -1.5829 | |
| 413 | A | A | -0.2085 | |
| 414 | K | A | -0.5598 | |
| 415 | A | A | -0.4292 | |
| 416 | V | A | 0.4599 | |
| 417 | F | A | 0.0654 | |
| 418 | T | A | -0.9846 | |
| 419 | K | A | -2.1864 | |
| 420 | Q | A | -1.8903 | |
| 421 | D | A | -2.7727 | |
| 422 | Y | A | 0.0000 | |
| 423 | F | A | 0.0000 | |
| 424 | S | A | -0.6915 | |
| 425 | I | A | 0.0000 | |
| 426 | A | A | -0.9031 | |
| 427 | F | A | -0.4694 | |
| 428 | L | A | 0.0000 | |
| 429 | Q | A | -1.1332 | |
| 430 | E | A | -1.7088 | |
| 431 | V | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | S | A | -0.5114 | |
| 434 | E | A | -0.4245 | |
| 435 | Y | A | 0.0000 | |
| 436 | I | A | 0.0000 | |
| 437 | L | A | 1.2519 | |
| 438 | T | A | 0.2349 | |
| 439 | L | A | 0.0000 | |
| 440 | D | A | -1.2378 | |
| 441 | H | A | -1.5059 | |
| 442 | T | A | -1.4781 | |
| 443 | S | A | -1.9239 | |
| 444 | D | A | -2.9806 | |
| 445 | I | A | 0.0000 | |
| 446 | V | A | -1.7722 | |
| 447 | K | A | -3.1457 | |
| 448 | K | A | -2.6732 | |
| 449 | H | A | -1.7153 | |
| 450 | S | A | -1.0666 | |
| 451 | S | A | -0.8310 | |
| 452 | N | A | -0.7388 | |
| 453 | C | A | 0.0000 | |
| 454 | I | A | 0.0000 | |
| 455 | A | A | 0.0000 | |
| 456 | D | A | -1.6265 | |
| 457 | Y | A | 0.0000 | |
| 458 | F | A | 0.0000 | |
| 459 | K | A | -2.3882 | |
| 460 | N | A | -1.9873 | |
| 461 | H | A | -1.1500 | |
| 462 | F | A | 0.0000 | |
| 463 | V | A | -0.0856 | |
| 464 | A | A | 0.0000 | |
| 465 | K | A | -2.7926 | |
| 466 | K | A | -3.7472 | |
| 467 | E | A | -3.9932 | |
| 468 | N | A | -4.1633 | |
| 469 | E | A | -4.0074 | |
| 470 | T | A | -2.6461 | |
| 471 | D | A | -3.2389 | |
| 472 | K | A | -2.6758 | |
| 473 | T | A | -1.2836 | |
| 474 | F | A | -0.1238 | |
| 475 | D | A | 0.0274 | |
| 476 | F | A | 0.0000 | |
| 477 | I | A | 0.3214 | |
| 478 | A | A | 0.2034 | |
| 479 | N | A | -0.2951 | |
| 480 | I | A | 0.0000 | |
| 481 | T | A | -0.3662 | |
| 482 | A | A | -0.3942 | |
| 483 | K | A | -0.6519 | |
| 484 | Y | A | 0.0000 | |
| 485 | Q | A | -1.1624 | |
| 486 | C | A | -0.0929 | |
| 487 | I | A | 0.0000 | |
| 488 | Q | A | -1.1856 | |
| 489 | G | A | -1.1463 | |
| 490 | I | A | -0.9300 | |
| 491 | L | A | 0.0000 | |
| 492 | E | A | -2.8846 | |
| 493 | N | A | -2.6511 | |
| 494 | A | A | 0.0000 | |
| 495 | D | A | -3.4378 | |
| 496 | Q | A | -3.1470 | |
| 497 | Y | A | -3.0535 | |
| 498 | E | A | -3.8475 | |
| 499 | D | A | -4.1752 | |
| 500 | E | A | -3.9508 | |
| 501 | L | A | 0.0000 | |
| 502 | K | A | -2.6623 | |
| 503 | Q | A | -2.8905 | |
| 504 | D | A | -2.7790 | |
| 505 | Q | A | -2.2429 | |
| 506 | K | A | -2.5256 | |
| 507 | L | A | 0.0000 | |
| 508 | I | A | 0.0000 | |
| 509 | D | A | 0.0000 | |
| 510 | N | A | -1.0002 | |
| 511 | L | A | 0.0000 | |
| 512 | K | A | -0.8574 | |
| 513 | F | A | -0.2008 | |
| 514 | F | A | 0.0000 | |
| 515 | L | A | 0.0000 | |
| 516 | D | A | -0.3978 | |
| 517 | A | A | 0.0000 | |
| 518 | I | A | 0.0000 | |
| 519 | L | A | -0.1591 | |
| 520 | E | A | -0.7821 | |
| 521 | L | A | 0.0000 | |
| 522 | L | A | 0.0000 | |
| 523 | H | A | -1.1310 | |
| 524 | F | A | 0.0000 | |
| 525 | I | A | 0.0000 | |
| 526 | K | A | -1.1711 | |
| 527 | P | A | 0.0000 | |
| 528 | L | A | 0.0000 | |
| 529 | H | A | -1.0744 | |
| 530 | L | A | -1.5208 | |
| 531 | K | A | -2.3593 | |
| 532 | S | A | -2.0613 | |
| 533 | E | A | -2.2464 | |
| 534 | S | A | -1.4118 | |
| 535 | I | A | -1.3605 | |
| 536 | T | A | -1.6044 | |
| 537 | E | A | -2.4699 | |
| 538 | K | A | -2.0509 | |
| 539 | D | A | 0.0000 | |
| 540 | T | A | -1.2504 | |
| 541 | A | A | 0.0000 | |
| 542 | F | A | 0.0000 | |
| 543 | Y | A | 0.0000 | |
| 544 | D | A | -0.5600 | |
| 545 | V | A | 0.1476 | |
| 546 | F | A | 0.0000 | |
| 547 | E | A | -1.3760 | |
| 548 | N | A | -1.9896 | |
| 549 | Y | A | 0.0000 | |
| 550 | Y | A | 0.0000 | |
| 551 | E | A | -2.3191 | |
| 552 | A | A | 0.0000 | |
| 553 | L | A | 0.0000 | |
| 554 | S | A | -0.8503 | |
| 555 | L | A | -0.1546 | |
| 556 | L | A | 0.0000 | |
| 557 | T | A | -0.0430 | |
| 558 | P | A | -0.1798 | |
| 559 | L | A | 0.0000 | |
| 560 | Y | A | -0.5146 | |
| 561 | N | A | -1.0908 | |
| 562 | M | A | -0.9353 | |
| 563 | V | A | 0.0000 | |
| 564 | R | A | -1.5485 | |
| 565 | N | A | -2.1130 | |
| 566 | Y | A | 0.0000 | |
| 567 | V | A | -1.5896 | |
| 568 | T | A | -1.9237 | |
| 569 | Q | A | -2.5295 | |
| 570 | K | A | -2.4607 | |
| 571 | P | A | -1.6343 | |
| 572 | Y | A | -1.3684 | |
| 573 | S | A | -1.5410 | |
| 574 | T | A | -1.6643 | |
| 575 | E | A | -2.6440 | |
| 576 | K | A | -2.5658 | |
| 577 | I | A | -1.7859 | |
| 578 | K | A | -1.0506 | |
| 579 | L | A | 0.0000 | |
| 580 | N | A | 0.0000 | |
| 581 | F | A | 0.0000 | |
| 582 | E | A | -1.1091 | |
| 583 | N | A | -0.9986 | |
| 584 | A | A | -0.6704 | |
| 585 | Q | A | -1.3083 | |
| 586 | L | A | -1.1052 | |
| 587 | L | A | 0.0000 | |
| 588 | N | A | -1.7374 | |
| 589 | G | A | -1.1385 | |
| 590 | W | A | 0.0000 | |
| 591 | D | A | -1.1702 | |
| 592 | A | A | -1.2134 | |
| 593 | N | A | -2.0795 | |
| 594 | K | A | -1.9876 | |
| 595 | E | A | 0.0000 | |
| 596 | G | A | -2.1755 | |
| 597 | D | A | -2.0570 | |
| 598 | Y | A | -1.3115 | |
| 599 | L | A | 0.0000 | |
| 600 | T | A | 0.0000 | |
| 601 | T | A | 0.0000 | |
| 602 | I | A | 0.0000 | |
| 603 | L | A | 0.0000 | |
| 604 | K | A | -1.5310 | |
| 605 | K | A | -2.0920 | |
| 606 | D | A | -2.4599 | |
| 607 | G | A | -1.7337 | |
| 608 | N | A | -1.3221 | |
| 609 | Y | A | 0.0000 | |
| 610 | F | A | -0.0361 | |
| 611 | L | A | 0.0000 | |
| 612 | A | A | 0.0000 | |
| 613 | I | A | 0.0000 | |
| 614 | M | A | 0.0000 | |
| 615 | D | A | -1.9872 | |
| 616 | K | A | -2.8146 | |
| 617 | K | A | -2.9224 | |
| 618 | H | A | -2.5353 | |
| 619 | N | A | -2.6989 | |
| 620 | K | A | -3.2007 | |
| 621 | A | A | -1.9300 | |
| 622 | F | A | 0.0000 | |
| 623 | Q | A | -2.6951 | |
| 624 | K | A | -2.3816 | |
| 625 | F | A | -1.5145 | |
| 626 | P | A | -1.5879 | |
| 627 | E | A | -3.3031 | |
| 628 | G | A | -3.0441 | |
| 629 | K | A | -3.4630 | |
| 630 | E | A | -3.7253 | |
| 631 | N | A | -3.3046 | |
| 632 | Y | A | 0.0000 | |
| 633 | E | A | -2.3705 | |
| 634 | K | A | 0.0000 | |
| 635 | M | A | 0.0000 | |
| 636 | V | A | -0.8879 | |
| 637 | Y | A | 0.0000 | |
| 638 | K | A | -0.7840 | |
| 639 | L | A | -0.3376 | |
| 640 | L | A | 0.0000 | |
| 641 | P | A | -0.6709 | |
| 642 | G | A | -1.1519 | |
| 643 | V | A | 0.0000 | |
| 644 | N | A | -2.3217 | |
| 645 | K | A | -2.6211 | |
| 646 | M | A | -1.5755 | |
| 647 | L | A | 0.0000 | |
| 648 | P | A | -1.2982 | |
| 649 | K | A | -2.2297 | |
| 650 | V | A | -1.1444 | |
| 651 | F | A | 0.0000 | |
| 652 | F | A | -0.6169 | |
| 653 | S | A | -1.4356 | |
| 654 | N | A | -1.9673 | |
| 655 | K | A | -1.9962 | |
| 656 | N | A | -0.9801 | |
| 657 | I | A | -0.2600 | |
| 658 | A | A | -0.0927 | |
| 659 | Y | A | 0.5342 | |
| 660 | F | A | 0.0000 | |
| 661 | N | A | -0.8978 | |
| 662 | P | A | -0.9427 | |
| 663 | S | A | -1.9747 | |
| 664 | K | A | -3.0090 | |
| 665 | E | A | -3.2003 | |
| 666 | L | A | 0.0000 | |
| 667 | L | A | -2.2142 | |
| 668 | E | A | -3.2483 | |
| 669 | N | A | -2.8912 | |
| 670 | Y | A | -2.5798 | |
| 671 | K | A | -3.3894 | |
| 672 | K | A | -3.5321 | |
| 673 | E | A | -3.5587 | |
| 674 | T | A | -2.7811 | |
| 675 | H | A | -2.2515 | |
| 676 | K | A | -3.0313 | |
| 677 | K | A | -3.1109 | |
| 678 | G | A | -2.5686 | |
| 679 | D | A | -2.4405 | |
| 680 | T | A | -1.9549 | |
| 681 | F | A | -1.9103 | |
| 682 | N | A | -1.4473 | |
| 683 | L | A | -1.2382 | |
| 684 | E | A | -1.9283 | |
| 685 | H | A | -1.6739 | |
| 686 | C | A | 0.0000 | |
| 687 | H | A | 0.0000 | |
| 688 | T | A | -1.2615 | |
| 689 | L | A | 0.0000 | |
| 690 | I | A | 0.0000 | |
| 691 | D | A | -2.4305 | |
| 692 | F | A | -1.4153 | |
| 693 | F | A | 0.0000 | |
| 694 | K | A | -2.1779 | |
| 695 | D | A | -3.0556 | |
| 696 | S | A | 0.0000 | |
| 697 | L | A | 0.0000 | |
| 698 | N | A | -3.2833 | |
| 699 | K | A | -2.7555 | |
| 700 | H | A | -2.2326 | |
| 701 | E | A | -2.6301 | |
| 702 | D | A | -1.8296 | |
| 703 | W | A | 0.0000 | |
| 704 | K | A | -2.5900 | |
| 705 | Y | A | -0.5688 | |
| 706 | F | A | 0.0000 | |
| 707 | D | A | -2.0630 | |
| 708 | F | A | -1.5311 | |
| 709 | Q | A | -1.7078 | |
| 710 | F | A | -1.0068 | |
| 711 | S | A | -1.4004 | |
| 712 | E | A | -2.6703 | |
| 713 | T | A | 0.0000 | |
| 714 | K | A | -2.9289 | |
| 715 | S | A | -1.9147 | |
| 716 | Y | A | 0.0000 | |
| 717 | Q | A | -1.7138 | |
| 718 | D | A | -1.4260 | |
| 719 | L | A | 0.0000 | |
| 720 | S | A | -1.1744 | |
| 721 | G | A | -0.8851 | |
| 722 | F | A | 0.0000 | |
| 723 | Y | A | -1.2393 | |
| 724 | R | A | -1.7265 | |
| 725 | E | A | -1.3113 | |
| 726 | V | A | 0.0000 | |
| 727 | E | A | -1.4055 | |
| 728 | H | A | -1.2961 | |
| 729 | Q | A | -1.4962 | |
| 730 | G | A | 0.0000 | |
| 731 | Y | A | 0.0000 | |
| 732 | K | A | -1.1701 | |
| 733 | I | A | 0.0000 | |
| 734 | N | A | -1.7847 | |
| 735 | F | A | -1.2865 | |
| 736 | K | A | -2.2156 | |
| 737 | N | A | -2.7202 | |
| 738 | I | A | 0.0000 | |
| 739 | D | A | -3.0440 | |
| 740 | S | A | -2.7903 | |
| 741 | E | A | -3.1343 | |
| 742 | Y | A | -1.5377 | |
| 743 | I | A | 0.0000 | |
| 744 | D | A | -2.7638 | |
| 745 | G | A | -2.2078 | |
| 746 | L | A | 0.0000 | |
| 747 | V | A | 0.0000 | |
| 748 | N | A | -2.8706 | |
| 749 | E | A | -2.7550 | |
| 750 | G | A | 0.0000 | |
| 751 | K | A | -1.8525 | |
| 752 | L | A | 0.0000 | |
| 753 | F | A | 0.0000 | |
| 754 | L | A | 0.0000 | |
| 755 | F | A | 0.0000 | |
| 756 | Q | A | 0.0000 | |
| 757 | I | A | 0.0000 | |
| 758 | Y | A | -0.4319 | |
| 759 | S | A | -1.2758 | |
| 760 | K | A | -1.7993 | |
| 761 | D | A | -1.7509 | |
| 762 | F | A | -0.4859 | |
| 763 | S | A | -0.3726 | |
| 764 | P | A | 0.1349 | |
| 765 | F | A | 1.0064 | |
| 766 | S | A | -0.9099 | |
| 767 | K | A | -1.9477 | |
| 768 | G | A | -2.1167 | |
| 769 | K | A | -2.9739 | |
| 770 | P | A | -2.1800 | |
| 771 | N | A | -1.8628 | |
| 772 | M | A | -0.7322 | |
| 773 | H | A | -1.0385 | |
| 774 | T | A | 0.0000 | |
| 775 | L | A | -0.5952 | |
| 776 | Y | A | 0.0000 | |
| 777 | W | A | 0.0000 | |
| 778 | K | A | -0.9728 | |
| 779 | A | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | F | A | 0.0000 | |
| 782 | E | A | -2.1235 | |
| 783 | E | A | -3.0167 | |
| 784 | Q | A | -2.4196 | |
| 785 | N | A | 0.0000 | |
| 786 | L | A | -2.0388 | |
| 787 | Q | A | -2.5142 | |
| 788 | N | A | -2.1656 | |
| 789 | V | A | 0.0000 | |
| 790 | I | A | -0.4753 | |
| 791 | Y | A | 0.0000 | |
| 792 | K | A | -0.2643 | |
| 793 | L | A | 0.0000 | |
| 794 | N | A | -0.7427 | |
| 795 | G | A | -1.1640 | |
| 796 | Q | A | -1.8884 | |
| 797 | A | A | 0.0000 | |
| 798 | E | A | -1.6149 | |
| 799 | I | A | 0.0000 | |
| 800 | F | A | -1.0080 | |
| 801 | F | A | 0.0000 | |
| 802 | R | A | -2.3957 | |
| 803 | K | A | -2.5708 | |
| 804 | A | A | -1.9240 | |
| 805 | S | A | -1.4064 | |
| 806 | I | A | 0.0000 | |
| 807 | K | A | -2.3542 | |
| 808 | P | A | -1.7444 | |
| 809 | K | A | -2.4174 | |
| 810 | N | A | -1.8691 | |
| 811 | I | A | -0.3027 | |
| 812 | I | A | 1.0336 | |
| 813 | L | A | 0.6495 | |
| 814 | H | A | -0.2805 | |
| 815 | K | A | -1.4144 | |
| 816 | K | A | -1.7373 | |
| 817 | K | A | -2.5500 | |
| 818 | I | A | -1.1716 | |
| 819 | K | A | -0.9499 | |
| 820 | I | A | -0.4436 | |
| 821 | A | A | 0.0000 | |
| 822 | K | A | -1.5898 | |
| 823 | K | A | -1.5057 | |
| 824 | H | A | -0.8419 | |
| 825 | F | A | -0.5710 | |
| 826 | I | A | -0.0023 | |
| 827 | D | A | 0.0000 | |
| 828 | K | A | -2.7420 | |
| 829 | K | A | -2.8881 | |
| 830 | T | A | -2.0283 | |
| 831 | K | A | -2.5311 | |
| 832 | T | A | -1.2392 | |
| 833 | S | A | -0.4669 | |
| 834 | E | A | -0.7390 | |
| 835 | I | A | -0.6086 | |
| 836 | V | A | 0.0000 | |
| 837 | P | A | -0.7640 | |
| 838 | V | A | -0.0830 | |
| 839 | Q | A | -1.4793 | |
| 840 | T | A | 0.0000 | |
| 841 | I | A | -0.9467 | |
| 842 | K | A | -1.7176 | |
| 843 | N | A | -1.4805 | |
| 844 | L | A | 0.0000 | |
| 845 | N | A | -0.8995 | |
| 846 | M | A | -0.8713 | |
| 847 | Y | A | -1.2225 | |
| 848 | Y | A | -0.5224 | |
| 849 | Q | A | -1.0334 | |
| 850 | G | A | -1.2529 | |
| 851 | K | A | -1.7051 | |
| 852 | I | A | -1.5414 | |
| 853 | S | A | -2.0660 | |
| 854 | E | A | -2.4390 | |
| 855 | K | A | -3.1925 | |
| 856 | E | A | -3.1252 | |
| 857 | L | A | 0.0000 | |
| 858 | T | A | -2.1297 | |
| 859 | Q | A | -2.4894 | |
| 860 | D | A | -2.5983 | |
| 861 | D | A | 0.0000 | |
| 862 | L | A | -1.3985 | |
| 863 | R | A | -1.7401 | |
| 864 | Y | A | 0.0000 | |
| 865 | I | A | -0.8504 | |
| 866 | D | A | -1.7412 | |
| 867 | N | A | -0.9928 | |
| 868 | F | A | -0.3631 | |
| 869 | S | A | -0.1253 | |
| 870 | I | A | 0.1298 | |
| 871 | F | A | -1.3437 | |
| 872 | N | A | -2.8696 | |
| 873 | E | A | -3.8150 | |
| 874 | K | A | -3.7819 | |
| 875 | N | A | -3.2363 | |
| 876 | K | A | -3.2354 | |
| 877 | T | A | -2.1047 | |
| 878 | I | A | 0.0200 | |
| 879 | D | A | -0.5758 | |
| 880 | I | A | 0.3198 | |
| 881 | I | A | -0.0142 | |
| 882 | K | A | -1.1831 | |
| 883 | D | A | -1.4620 | |
| 884 | K | A | -2.0693 | |
| 885 | R | A | -2.7487 | |
| 886 | F | A | 0.0000 | |
| 887 | T | A | -1.6657 | |
| 888 | V | A | -1.1971 | |
| 889 | D | A | -1.7132 | |
| 890 | K | A | -1.3993 | |
| 891 | F | A | 0.0000 | |
| 892 | Q | A | -0.9372 | |
| 893 | F | A | 0.0000 | |
| 894 | H | A | -1.3789 | |
| 895 | V | A | 0.0000 | |
| 896 | P | A | -1.1235 | |
| 897 | I | A | 0.0000 | |
| 898 | T | A | -0.3580 | |
| 899 | M | A | 0.0000 | |
| 900 | N | A | 0.0000 | |
| 901 | F | A | -0.3502 | |
| 902 | K | A | -1.1382 | |
| 903 | A | A | -0.7010 | |
| 904 | T | A | -0.8079 | |
| 905 | G | A | -0.7752 | |
| 906 | G | A | -0.5711 | |
| 907 | S | A | -0.3265 | |
| 908 | Y | A | 0.5463 | |
| 909 | I | A | 0.0000 | |
| 910 | N | A | 0.0000 | |
| 911 | Q | A | -1.2110 | |
| 912 | T | A | -1.0051 | |
| 913 | V | A | 0.0000 | |
| 914 | L | A | 0.0000 | |
| 915 | E | A | -2.2953 | |
| 916 | Y | A | -1.3282 | |
| 917 | L | A | 0.0000 | |
| 918 | Q | A | -2.1672 | |
| 919 | N | A | -2.5774 | |
| 920 | N | A | -1.9625 | |
| 921 | P | A | -1.9204 | |
| 922 | E | A | -2.3996 | |
| 923 | V | A | 0.0000 | |
| 924 | K | A | -1.1960 | |
| 925 | I | A | 0.0000 | |
| 926 | I | A | 0.0000 | |
| 927 | G | A | 0.0000 | |
| 928 | L | A | 0.0000 | |
| 929 | D | A | 0.0000 | |
| 930 | R | A | 0.0000 | |
| 931 | G | A | 0.0000 | |
| 932 | E | A | -1.3461 | |
| 933 | R | A | -1.2421 | |
| 934 | H | A | -0.7265 | |
| 935 | L | A | 0.0000 | |
| 936 | V | A | 0.0000 | |
| 937 | Y | A | 0.0000 | |
| 938 | L | A | 0.0000 | |
| 939 | T | A | 0.0000 | |
| 940 | L | A | 0.0000 | |
| 941 | I | A | 0.0000 | |
| 942 | D | A | -1.5394 | |
| 943 | Q | A | -1.8914 | |
| 944 | Q | A | -1.9393 | |
| 945 | G | A | 0.0000 | |
| 946 | N | A | -1.3901 | |
| 947 | I | A | -0.4885 | |
| 948 | L | A | 0.1589 | |
| 949 | K | A | -0.8163 | |
| 950 | Q | A | -0.9355 | |
| 951 | E | A | -1.2265 | |
| 952 | S | A | -0.6595 | |
| 953 | L | A | 0.0000 | |
| 954 | N | A | -0.6946 | |
| 955 | T | A | -0.7097 | |
| 956 | I | A | 0.0000 | |
| 957 | T | A | -0.9563 | |
| 958 | D | A | -1.9903 | |
| 959 | S | A | -1.4043 | |
| 960 | K | A | -1.4248 | |
| 961 | I | A | 0.4771 | |
| 962 | S | A | -0.0390 | |
| 963 | T | A | -0.1514 | |
| 964 | P | A | 0.0000 | |
| 965 | Y | A | -0.7454 | |
| 966 | H | A | -1.5146 | |
| 967 | K | A | -2.5103 | |
| 968 | L | A | -1.5192 | |
| 969 | L | A | 0.0000 | |
| 970 | D | A | -3.3039 | |
| 971 | N | A | -3.7495 | |
| 972 | K | A | -3.4439 | |
| 973 | E | A | -4.0968 | |
| 974 | N | A | -4.0736 | |
| 975 | E | A | -3.9206 | |
| 976 | R | A | -4.0072 | |
| 977 | D | A | -3.7330 | |
| 978 | L | A | -1.3396 | |
| 979 | A | A | -2.2051 | |
| 980 | R | A | -3.2195 | |
| 981 | K | A | -2.2908 | |
| 982 | N | A | -2.0077 | |
| 983 | W | A | 0.0000 | |
| 984 | G | A | -1.7121 | |
| 985 | T | A | 0.0000 | |
| 986 | V | A | -1.9710 | |
| 987 | E | A | -3.1001 | |
| 988 | N | A | -3.1068 | |
| 989 | I | A | 0.0000 | |
| 990 | K | A | -3.0589 | |
| 991 | E | A | -3.5197 | |
| 992 | L | A | -2.0201 | |
| 993 | K | A | -1.9117 | |
| 994 | E | A | -2.2425 | |
| 995 | G | A | -1.3839 | |
| 996 | Y | A | 0.0000 | |
| 997 | I | A | 0.0000 | |
| 998 | S | A | -0.9743 | |
| 999 | Q | A | -1.4211 | |
| 1000 | V | A | 0.0000 | |
| 1001 | V | A | 0.0000 | |
| 1002 | H | A | -1.2659 | |
| 1003 | K | A | -1.3387 | |
| 1004 | I | A | 0.0000 | |
| 1005 | A | A | 0.0000 | |
| 1006 | T | A | -0.7878 | |
| 1007 | L | A | -0.8194 | |
| 1008 | M | A | 0.0000 | |
| 1009 | L | A | -0.6935 | |
| 1010 | E | A | -1.8637 | |
| 1011 | E | A | -1.5479 | |
| 1012 | N | A | 0.0000 | |
| 1013 | A | A | 0.0000 | |
| 1014 | I | A | 0.0000 | |
| 1015 | V | A | 0.0000 | |
| 1016 | V | A | 0.0000 | |
| 1017 | M | A | 0.0000 | |
| 1018 | E | A | 0.0000 | |
| 1019 | D | A | 0.0000 | |
| 1020 | L | A | 0.0000 | |
| 1021 | N | A | 0.2257 | |
| 1022 | F | A | 1.6562 | |
| 1023 | G | A | 0.3899 | |
| 1024 | F | A | 0.1288 | |
| 1025 | K | A | -1.1932 | |
| 1026 | R | A | -2.6632 | |
| 1027 | G | A | -2.5373 | |
| 1028 | R | A | -2.9030 | |
| 1029 | F | A | -2.1798 | |
| 1030 | K | A | -1.7606 | |
| 1031 | V | A | 0.0000 | |
| 1032 | E | A | -2.7409 | |
| 1033 | K | A | -1.9467 | |
| 1034 | Q | A | -1.9554 | |
| 1035 | I | A | -1.7202 | |
| 1036 | Y | A | 0.0000 | |
| 1037 | Q | A | -1.2423 | |
| 1038 | K | A | -1.3007 | |
| 1039 | L | A | 0.0000 | |
| 1040 | E | A | 0.0000 | |
| 1041 | K | A | -1.4232 | |
| 1042 | M | A | -1.1977 | |
| 1043 | L | A | 0.0000 | |
| 1044 | I | A | 0.0000 | |
| 1045 | D | A | -2.3926 | |
| 1046 | K | A | -1.5174 | |
| 1047 | L | A | 0.0000 | |
| 1048 | N | A | 0.0000 | |
| 1049 | Y | A | 0.0000 | |
| 1050 | L | A | 0.0000 | |
| 1051 | V | A | 0.0000 | |
| 1052 | L | A | -1.2918 | |
| 1053 | K | A | -2.3579 | |
| 1054 | D | A | -3.1053 | |
| 1055 | K | A | -2.9051 | |
| 1056 | Q | A | -2.9231 | |
| 1057 | P | A | -2.1551 | |
| 1058 | Q | A | -2.4497 | |
| 1059 | E | A | -2.8436 | |
| 1060 | L | A | -1.2556 | |
| 1061 | G | A | 0.0000 | |
| 1062 | G | A | 0.0000 | |
| 1063 | L | A | -0.9509 | |
| 1064 | Y | A | 0.0000 | |
| 1065 | N | A | -1.3354 | |
| 1066 | A | A | 0.0000 | |
| 1067 | L | A | 0.0000 | |
| 1068 | Q | A | 0.0000 | |
| 1069 | L | A | 0.0000 | |
| 1070 | T | A | 0.0000 | |
| 1071 | N | A | 0.0000 | |
| 1072 | K | A | -2.1154 | |
| 1073 | F | A | -1.9273 | |
| 1074 | E | A | -2.6521 | |
| 1075 | S | A | -1.8921 | |
| 1076 | F | A | -1.2811 | |
| 1077 | Q | A | -2.2364 | |
| 1078 | K | A | -2.6511 | |
| 1079 | M | A | -1.7758 | |
| 1080 | G | A | -1.3128 | |
| 1081 | K | A | -1.1023 | |
| 1082 | Q | A | 0.0000 | |
| 1083 | S | A | 0.0000 | |
| 1084 | G | A | 0.0000 | |
| 1085 | F | A | 0.0000 | |
| 1086 | L | A | 0.0000 | |
| 1087 | F | A | 0.0000 | |
| 1088 | Y | A | 0.0000 | |
| 1089 | V | A | 0.0000 | |
| 1090 | P | A | 0.2677 | |
| 1091 | A | A | 0.0000 | |
| 1092 | W | A | 0.0839 | |
| 1093 | N | A | -0.7329 | |
| 1094 | T | A | 0.0000 | |
| 1095 | S | A | -0.9408 | |
| 1096 | K | A | -1.9599 | |
| 1097 | I | A | 0.0000 | |
| 1098 | D | A | 0.0000 | |
| 1099 | P | A | 0.0000 | |
| 1100 | T | A | -0.9208 | |
| 1101 | T | A | 0.0000 | |
| 1102 | G | A | 0.0000 | |
| 1103 | F | A | 0.0000 | |
| 1104 | V | A | 0.0000 | |
| 1105 | N | A | -0.9422 | |
| 1106 | Y | A | -0.0181 | |
| 1107 | F | A | 0.0000 | |
| 1108 | Y | A | 0.7391 | |
| 1109 | T | A | 0.0000 | |
| 1110 | K | A | -1.3899 | |
| 1111 | Y | A | -1.2247 | |
| 1112 | E | A | -1.7580 | |
| 1113 | N | A | -1.9976 | |
| 1114 | V | A | -2.4163 | |
| 1115 | D | A | -2.9301 | |
| 1116 | K | A | -2.6854 | |
| 1117 | A | A | 0.0000 | |
| 1118 | K | A | -2.3752 | |
| 1119 | A | A | -1.9725 | |
| 1120 | F | A | -1.5297 | |
| 1121 | F | A | 0.0000 | |
| 1122 | E | A | -2.9267 | |
| 1123 | K | A | -3.3367 | |
| 1124 | F | A | 0.0000 | |
| 1125 | E | A | -2.8103 | |
| 1126 | A | A | -2.0317 | |
| 1127 | I | A | 0.0000 | |
| 1128 | R | A | -1.7374 | |
| 1129 | F | A | 0.0000 | |
| 1130 | N | A | -2.5653 | |
| 1131 | A | A | -2.5263 | |
| 1132 | E | A | -3.0611 | |
| 1133 | K | A | -3.0859 | |
| 1134 | K | A | -3.1764 | |
| 1135 | Y | A | 0.0000 | |
| 1136 | F | A | 0.0000 | |
| 1137 | E | A | -1.1460 | |
| 1138 | F | A | 0.0000 | |
| 1139 | E | A | -2.1589 | |
| 1140 | V | A | 0.0000 | |
| 1141 | K | A | -3.3815 | |
| 1142 | K | A | -3.4150 | |
| 1143 | Y | A | 0.0000 | |
| 1144 | S | A | -2.1664 | |
| 1145 | D | A | -2.9214 | |
| 1146 | F | A | 0.0000 | |
| 1147 | N | A | 0.0000 | |
| 1148 | P | A | -1.6197 | |
| 1149 | K | A | -1.3436 | |
| 1150 | A | A | 0.0000 | |
| 1151 | E | A | -2.2369 | |
| 1152 | G | A | -1.3875 | |
| 1153 | T | A | -1.5048 | |
| 1154 | Q | A | -1.4602 | |
| 1155 | Q | A | -1.8021 | |
| 1156 | A | A | -1.5481 | |
| 1157 | W | A | 0.0000 | |
| 1158 | T | A | -0.7318 | |
| 1159 | I | A | 0.0000 | |
| 1160 | C | A | 0.0000 | |
| 1161 | T | A | 0.0000 | |
| 1162 | Y | A | -0.4333 | |
| 1163 | G | A | -0.8715 | |
| 1164 | E | A | -2.1005 | |
| 1165 | R | A | 0.0000 | |
| 1166 | I | A | 0.0000 | |
| 1167 | E | A | 0.0000 | |
| 1168 | T | A | -0.9822 | |
| 1169 | K | A | -2.4959 | |
| 1170 | R | A | -3.5095 | |
| 1171 | Q | A | -3.6819 | |
| 1172 | K | A | -4.2270 | |
| 1173 | D | A | -3.9687 | |
| 1174 | Q | A | -3.2860 | |
| 1175 | N | A | -3.7755 | |
| 1176 | N | A | -3.4878 | |
| 1177 | K | A | -2.5962 | |
| 1178 | F | A | -0.6032 | |
| 1179 | V | A | -0.6885 | |
| 1180 | S | A | -0.7242 | |
| 1181 | T | A | -0.2759 | |
| 1182 | P | A | -0.9469 | |
| 1183 | I | A | 0.0000 | |
| 1184 | N | A | -2.4346 | |
| 1185 | L | A | 0.0000 | |
| 1186 | T | A | -2.2274 | |
| 1187 | E | A | -3.4699 | |
| 1188 | K | A | -2.5333 | |
| 1189 | I | A | 0.0000 | |
| 1190 | E | A | -2.3816 | |
| 1191 | D | A | -3.2400 | |
| 1192 | F | A | -2.1397 | |
| 1193 | L | A | 0.0000 | |
| 1194 | G | A | -1.9649 | |
| 1195 | K | A | -2.8174 | |
| 1196 | N | A | -1.8778 | |
| 1197 | Q | A | -1.4930 | |
| 1198 | I | A | 0.0000 | |
| 1199 | V | A | 0.6543 | |
| 1200 | Y | A | -0.5578 | |
| 1201 | G | A | -1.4172 | |
| 1202 | D | A | -2.1753 | |
| 1203 | G | A | -1.9578 | |
| 1204 | N | A | -1.8880 | |
| 1205 | C | A | -1.1094 | |
| 1206 | I | A | 0.0000 | |
| 1207 | K | A | -1.5468 | |
| 1208 | S | A | -0.8010 | |
| 1209 | Q | A | -0.4482 | |
| 1210 | I | A | 0.0000 | |
| 1211 | A | A | -1.4017 | |
| 1212 | S | A | -1.2450 | |
| 1213 | K | A | -2.0241 | |
| 1214 | D | A | -3.1727 | |
| 1215 | D | A | -3.0024 | |
| 1216 | K | A | -2.3034 | |
| 1217 | A | A | -1.3655 | |
| 1218 | F | A | 0.0000 | |
| 1219 | F | A | 0.0000 | |
| 1220 | E | A | -1.6908 | |
| 1221 | T | A | -0.5221 | |
| 1222 | L | A | 0.0000 | |
| 1223 | L | A | 0.0000 | |
| 1224 | Y | A | -0.3282 | |
| 1225 | W | A | -0.2361 | |
| 1226 | F | A | 0.0000 | |
| 1227 | K | A | -0.9449 | |
| 1228 | M | A | 0.0000 | |
| 1229 | T | A | 0.0000 | |
| 1230 | L | A | 0.0000 | |
| 1231 | Q | A | -0.9471 | |
| 1232 | M | A | 0.0000 | |
| 1233 | R | A | -0.7892 | |
| 1234 | N | A | 0.0000 | |
| 1235 | S | A | -0.7225 | |
| 1236 | E | A | -0.7507 | |
| 1237 | T | A | -0.8650 | |
| 1238 | R | A | -2.1832 | |
| 1239 | T | A | -1.6644 | |
| 1240 | D | A | -1.9917 | |
| 1241 | I | A | -0.7136 | |
| 1242 | D | A | -0.7069 | |
| 1243 | Y | A | 0.0000 | |
| 1244 | L | A | 0.0000 | |
| 1245 | I | A | 0.0000 | |
| 1246 | S | A | 0.0000 | |
| 1247 | P | A | 0.0000 | |
| 1248 | V | A | 0.0000 | |
| 1249 | M | A | -0.2290 | |
| 1250 | N | A | 0.0000 | |
| 1251 | D | A | -2.6568 | |
| 1252 | N | A | -2.2752 | |
| 1253 | G | A | -1.5135 | |
| 1254 | T | A | -0.8266 | |
| 1255 | F | A | -0.1661 | |
| 1256 | Y | A | 0.0000 | |
| 1257 | N | A | -1.2359 | |
| 1258 | S | A | 0.0000 | |
| 1259 | R | A | -2.6529 | |
| 1260 | D | A | -2.9839 | |
| 1261 | Y | A | -2.7496 | |
| 1262 | E | A | -3.7537 | |
| 1263 | K | A | -3.3574 | |
| 1264 | L | A | -2.3025 | |
| 1265 | E | A | -2.7298 | |
| 1266 | N | A | -2.2957 | |
| 1267 | P | A | -1.8082 | |
| 1268 | T | A | -0.5530 | |
| 1269 | L | A | -0.6198 | |
| 1270 | P | A | 0.0000 | |
| 1271 | K | A | -2.0816 | |
| 1272 | D | A | -1.2222 | |
| 1273 | A | A | 0.0000 | |
| 1274 | D | A | 0.0000 | |
| 1275 | A | A | 0.0000 | |
| 1276 | N | A | 0.0000 | |
| 1277 | G | A | 0.0000 | |
| 1278 | A | A | 0.0000 | |
| 1279 | Y | A | 0.0000 | |
| 1280 | H | A | 0.0000 | |
| 1281 | I | A | 0.0000 | |
| 1282 | A | A | 0.0000 | |
| 1283 | K | A | 0.0000 | |
| 1284 | K | A | 0.0000 | |
| 1285 | G | A | 0.0000 | |
| 1286 | L | A | 0.0000 | |
| 1287 | M | A | 0.0000 | |
| 1288 | L | A | 0.0000 | |
| 1289 | L | A | 0.0000 | |
| 1290 | N | A | -1.9697 | |
| 1291 | K | A | -1.9030 | |
| 1292 | I | A | 0.0000 | |
| 1293 | D | A | -2.6581 | |
| 1294 | Q | A | -2.4304 | |
| 1295 | A | A | -2.6118 | |
| 1296 | D | A | -2.8761 | |
| 1297 | L | A | -2.4590 | |
| 1298 | T | A | -1.8430 | |
| 1299 | K | A | -3.2468 | |
| 1300 | K | A | -3.3440 | |
| 1301 | V | A | 0.0000 | |
| 1302 | D | A | -2.5526 | |
| 1303 | L | A | 0.0000 | |
| 1304 | S | A | -0.9420 | |
| 1305 | I | A | 0.0000 | |
| 1306 | S | A | -1.1714 | |
| 1307 | N | A | -0.9739 | |
| 1308 | R | A | -1.4773 | |
| 1309 | D | A | -1.4826 | |
| 1310 | W | A | 0.0000 | |
| 1311 | L | A | 0.0000 | |
| 1312 | Q | A | -1.6590 | |
| 1313 | F | A | -1.3712 | |
| 1314 | V | A | 0.0000 | |
| 1315 | Q | A | -1.8961 | |
| 1316 | K | A | -2.6172 | |
| 1317 | N | A | -2.3006 | |
| 1318 | K | A | -2.6431 |
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 | -1.1788 | 4.4485 | View | CSV | PDB |
| 4.5 | -1.2625 | 4.4486 | View | CSV | PDB |
| 5.0 | -1.3641 | 4.4488 | View | CSV | PDB |
| 5.5 | -1.4613 | 4.4496 | View | CSV | PDB |
| 6.0 | -1.528 | 4.4515 | View | CSV | PDB |
| 6.5 | -1.5441 | 4.4555 | View | CSV | PDB |
| 7.0 | -1.5096 | 4.4613 | View | CSV | PDB |
| 7.5 | -1.441 | 4.4683 | View | CSV | PDB |
| 8.0 | -1.3538 | 4.4758 | View | CSV | PDB |
| 8.5 | -1.2546 | 4.4834 | View | CSV | PDB |
| 9.0 | -1.1443 | 4.491 | 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