| Chain sequence(s) |
A: MKKSQREDIFKKMSEEMDNITAEEIIDKHLQKEENQNVAKTLRGKVREKLKISKINKGEKSSTEQLIDSEIHQRSKTEVSLDESLSFFILSGEEGSALGKSSEQRPVNRSYPKCFSLGVNLQNVAESEEEEFMKEFILTDILKVKAADYEDDQEQIKKQKANIFVPSSSPVVNQRKLPKDMMPRILEDEGFYIQRKPEIYKKTCNKMENRLLKLEEGKCWFGESGEIMSLPTPIKQSWNFRLNVRKEPLNPLLKTIYRKAVKYDLGSSFMNKMEGSREIYQLDLNIVGLQFSHHHLFNQEQVLCARLLQLYECFQDRQQQNVSQLLYEKLKALTDATKLSNENSEINQLTRKSLQDYYWQISNTKQMYDLERGKDLSLLHSILRTWKQIKSLRHGQGFTSTPIKLQVQRIKMNKCDEQEQISEMSETEKKNEGKELKNGKKLESLSYLASDETEIERIKPITLRPQLSFTAELTSLSKCSFMLRNVDARSVPGIPWLMNEQKLFEWANEVRIDPNNPEYSDLMESVTYMRLKGQDIPKYFRLEQLQDEFNFVSEEEMAKSKRFQLLQLRNAGQLDNFLLQQMPLHDTEIPDLVFQVRRLIMKRIVKISKCNLSDIVNDYEEIVSTSQLTDAVCKFVEPRRKLKPQRKERKKVTAQAISDGDIKILVRIVRAYNIPTRKTTINGSPGHDYSFSSLSKIKDNIYINIFDEMMTEKHEISGTFQVTIPPVLLGYTWSNTYVFPKEDSNEQNLKECTFLNIFATIEPQISYVTCNPTLDKFLDQTEVLQRAQIFKKNCKAMFPNRRIVTTVFNDEGIQFLVTRYIKALNPPQQLLDIFLHNSNATFDLIARFVSLIPFVPNTPDENDGSDIWMTSEHCISLAIGNKEEHAILLCNFFLYFGKKALVLLGTSVLEGHVAYVVTQETNEYLLWNPSTGQCYKQFDPFCPLKSVDCLFDDRNVWFNIQQNNTPMAVFFDYSKESFWKQLLPKNVQGTKIQSIQVTGFPIQMPYIDVQSIIDAVYQTGIHSAEFPQTEFALAVYIHPYPNNILSVWVYLASLVQHQ
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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:31)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/77ba81c01dd806f/tmp/folded.pdb (00:17:31)
[INFO] Main: Simulation completed successfully. (00:23:05)
|
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 | -0.1141 | |
| 2 | K | A | -2.2820 | |
| 3 | K | A | -2.9847 | |
| 4 | S | A | -2.7703 | |
| 5 | Q | A | -3.4653 | |
| 6 | R | A | -3.7078 | |
| 7 | E | A | -3.1693 | |
| 8 | D | A | -2.4451 | |
| 9 | I | A | 0.5751 | |
| 10 | F | A | 1.0059 | |
| 11 | K | A | -1.5325 | |
| 12 | K | A | -1.8885 | |
| 13 | M | A | -0.6412 | |
| 14 | S | A | -1.7736 | |
| 15 | E | A | -2.9802 | |
| 16 | E | A | -2.6679 | |
| 17 | M | A | -1.5659 | |
| 18 | D | A | -1.9722 | |
| 19 | N | A | -0.9243 | |
| 20 | I | A | 0.9799 | |
| 21 | T | A | 0.0843 | |
| 22 | A | A | -0.6944 | |
| 23 | E | A | -1.9988 | |
| 24 | E | A | -1.5071 | |
| 25 | I | A | 1.1867 | |
| 26 | I | A | 1.1383 | |
| 27 | D | A | -1.4259 | |
| 28 | K | A | -2.3040 | |
| 29 | H | A | -1.7592 | |
| 30 | L | A | -0.3281 | |
| 31 | Q | A | -1.8771 | |
| 32 | K | A | -3.3482 | |
| 33 | E | A | -4.2648 | |
| 34 | E | A | -4.1616 | |
| 35 | N | A | -3.5868 | |
| 36 | Q | A | -2.4813 | |
| 37 | N | A | -1.2574 | |
| 38 | V | A | 0.5671 | |
| 39 | A | A | -0.1770 | |
| 40 | K | A | -0.9933 | |
| 41 | T | A | -0.7390 | |
| 42 | L | A | 0.1167 | |
| 43 | R | A | -1.5592 | |
| 44 | G | A | -1.5219 | |
| 45 | K | A | -1.7744 | |
| 46 | V | A | -0.7601 | |
| 47 | R | A | -2.5907 | |
| 48 | E | A | -2.8717 | |
| 49 | K | A | -2.4265 | |
| 50 | L | A | -0.2078 | |
| 51 | K | A | -0.5352 | |
| 52 | I | A | 1.1120 | |
| 53 | S | A | -0.0552 | |
| 54 | K | A | -0.8860 | |
| 55 | I | A | 0.2648 | |
| 56 | N | A | -1.5634 | |
| 57 | K | A | -2.7929 | |
| 58 | G | A | -2.7909 | |
| 59 | E | A | -3.4766 | |
| 60 | K | A | -3.1736 | |
| 61 | S | A | -1.7595 | |
| 62 | S | A | -1.1710 | |
| 63 | T | A | -1.5213 | |
| 64 | E | A | -2.1942 | |
| 65 | Q | A | -0.7850 | |
| 66 | L | A | 1.2547 | |
| 67 | I | A | 1.6761 | |
| 68 | D | A | -0.8907 | |
| 69 | S | A | -1.4563 | |
| 70 | E | A | -1.6267 | |
| 71 | I | A | 0.0900 | |
| 72 | H | A | -1.4682 | |
| 73 | Q | A | -2.2222 | |
| 74 | R | A | -3.1097 | |
| 75 | S | A | -2.4312 | |
| 76 | K | A | -2.6111 | |
| 77 | T | A | -1.6066 | |
| 78 | E | A | -1.3957 | |
| 79 | V | A | 1.0996 | |
| 80 | S | A | 0.4558 | |
| 81 | L | A | 0.5516 | |
| 82 | D | A | -2.0899 | |
| 83 | E | A | -2.2456 | |
| 84 | S | A | -0.6260 | |
| 85 | L | A | 1.7718 | |
| 86 | S | A | 1.9339 | |
| 87 | F | A | 3.8606 | |
| 88 | F | A | 4.4025 | |
| 89 | I | A | 4.1379 | |
| 90 | L | A | 3.0111 | |
| 91 | S | A | 0.3719 | |
| 92 | G | A | -1.5633 | |
| 93 | E | A | -3.1478 | |
| 94 | E | A | -3.1485 | |
| 95 | G | A | -2.0385 | |
| 96 | S | A | -0.7056 | |
| 97 | A | A | 0.3970 | |
| 98 | L | A | 0.8510 | |
| 99 | G | A | -0.6764 | |
| 100 | K | A | -1.9602 | |
| 101 | S | A | -1.6346 | |
| 102 | S | A | -2.2231 | |
| 103 | E | A | -3.0996 | |
| 104 | Q | A | -3.0752 | |
| 105 | R | A | -2.5500 | |
| 106 | P | A | -0.9804 | |
| 107 | V | A | 0.2627 | |
| 108 | N | A | -1.3950 | |
| 109 | R | A | -1.9667 | |
| 110 | S | A | -0.9824 | |
| 111 | Y | A | 0.3996 | |
| 112 | P | A | -0.2637 | |
| 113 | K | A | -0.7676 | |
| 114 | C | A | 0.8845 | |
| 115 | F | A | 2.0880 | |
| 116 | S | A | 1.3302 | |
| 117 | L | A | 2.0764 | |
| 118 | G | A | 1.1894 | |
| 119 | V | A | 1.6021 | |
| 120 | N | A | 0.0249 | |
| 121 | L | A | 0.3917 | |
| 122 | Q | A | -0.9953 | |
| 123 | N | A | -0.6414 | |
| 124 | V | A | 0.5657 | |
| 125 | A | A | -0.2899 | |
| 126 | E | A | -2.2021 | |
| 127 | S | A | -2.5238 | |
| 128 | E | A | -3.8609 | |
| 129 | E | A | -3.9627 | |
| 130 | E | A | -3.3679 | |
| 131 | E | A | -2.9020 | |
| 132 | F | A | -0.1357 | |
| 133 | M | A | -0.1258 | |
| 134 | K | A | -1.1840 | |
| 135 | E | A | -0.6399 | |
| 136 | F | A | 2.0403 | |
| 137 | I | A | 2.8226 | |
| 138 | L | A | 2.5339 | |
| 139 | T | A | 1.0355 | |
| 140 | D | A | 0.2072 | |
| 141 | I | A | 2.2655 | |
| 142 | L | A | 1.7787 | |
| 143 | K | A | -0.3850 | |
| 144 | V | A | 0.8696 | |
| 145 | K | A | -1.3076 | |
| 146 | A | A | -0.7254 | |
| 147 | A | A | -0.8252 | |
| 148 | D | A | -1.9158 | |
| 149 | Y | A | -0.8592 | |
| 150 | E | A | -3.1357 | |
| 151 | D | A | -3.4937 | |
| 152 | D | A | -3.8299 | |
| 153 | Q | A | -3.7769 | |
| 154 | E | A | -4.3291 | |
| 155 | Q | A | -4.0935 | |
| 156 | I | A | -2.9120 | |
| 157 | K | A | -4.1995 | |
| 158 | K | A | -3.7493 | |
| 159 | Q | A | -3.0830 | |
| 160 | K | A | -2.5277 | |
| 161 | A | A | -1.8550 | |
| 162 | N | A | -1.3212 | |
| 163 | I | A | 0.9582 | |
| 164 | F | A | 1.5964 | |
| 165 | V | A | 1.9505 | |
| 166 | P | A | 0.3733 | |
| 167 | S | A | -0.2761 | |
| 168 | S | A | -0.8875 | |
| 169 | S | A | -0.8528 | |
| 170 | P | A | -0.7463 | |
| 171 | V | A | -0.3544 | |
| 172 | V | A | -0.3930 | |
| 173 | N | A | -1.3858 | |
| 174 | Q | A | -2.5764 | |
| 175 | R | A | -2.8158 | |
| 176 | K | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | P | A | -2.2218 | |
| 179 | K | A | -2.9816 | |
| 180 | D | A | -2.4637 | |
| 181 | M | A | -1.1834 | |
| 182 | M | A | -0.1457 | |
| 183 | P | A | -0.7950 | |
| 184 | R | A | -1.4314 | |
| 185 | I | A | -0.7895 | |
| 186 | L | A | -0.9520 | |
| 187 | E | A | -1.9075 | |
| 188 | D | A | -2.9268 | |
| 189 | E | A | -2.6162 | |
| 190 | G | A | -1.0891 | |
| 191 | F | A | 1.0010 | |
| 192 | Y | A | 1.3027 | |
| 193 | I | A | 0.7312 | |
| 194 | Q | A | -0.8495 | |
| 195 | R | A | -2.1712 | |
| 196 | K | A | -2.1839 | |
| 197 | P | A | -1.4646 | |
| 198 | E | A | -1.3777 | |
| 199 | I | A | 0.9745 | |
| 200 | Y | A | 0.7749 | |
| 201 | K | A | -1.3684 | |
| 202 | K | A | -1.4711 | |
| 203 | T | A | -0.3847 | |
| 204 | C | A | -0.4236 | |
| 205 | N | A | 0.0000 | |
| 206 | K | A | -1.2751 | |
| 207 | M | A | -0.5625 | |
| 208 | E | A | 0.0000 | |
| 209 | N | A | -0.9646 | |
| 210 | R | A | -1.2742 | |
| 211 | L | A | 0.0000 | |
| 212 | L | A | -1.6606 | |
| 213 | K | A | -2.0611 | |
| 214 | L | A | -1.2174 | |
| 215 | E | A | -2.5051 | |
| 216 | E | A | -2.5297 | |
| 217 | G | A | 0.0000 | |
| 218 | K | A | -1.8972 | |
| 219 | C | A | -0.1394 | |
| 220 | W | A | 0.4750 | |
| 221 | F | A | 0.0000 | |
| 222 | G | A | -0.7205 | |
| 223 | E | A | -1.4006 | |
| 224 | S | A | -1.1504 | |
| 225 | G | A | 0.0000 | |
| 226 | E | A | -1.4303 | |
| 227 | I | A | 0.0936 | |
| 228 | M | A | 0.8869 | |
| 229 | S | A | 0.4422 | |
| 230 | L | A | 0.9109 | |
| 231 | P | A | -0.1462 | |
| 232 | T | A | -0.6142 | |
| 233 | P | A | 0.3714 | |
| 234 | I | A | 0.6861 | |
| 235 | K | A | -1.2887 | |
| 236 | Q | A | -1.2115 | |
| 237 | S | A | -0.3349 | |
| 238 | W | A | 0.3014 | |
| 239 | N | A | -0.2550 | |
| 240 | F | A | 0.7712 | |
| 241 | R | A | -0.4185 | |
| 242 | L | A | 0.6682 | |
| 243 | N | A | -0.6125 | |
| 244 | V | A | -0.2486 | |
| 245 | R | A | -2.4980 | |
| 246 | K | A | -2.9767 | |
| 247 | E | A | -2.7691 | |
| 248 | P | A | -1.3537 | |
| 249 | L | A | 0.3367 | |
| 250 | N | A | -0.1057 | |
| 251 | P | A | 0.3477 | |
| 252 | L | A | 1.4224 | |
| 253 | L | A | 1.3311 | |
| 254 | K | A | -0.0572 | |
| 255 | T | A | 0.8990 | |
| 256 | I | A | 1.6760 | |
| 257 | Y | A | 0.7722 | |
| 258 | R | A | -1.2055 | |
| 259 | K | A | -1.7273 | |
| 260 | A | A | -0.4732 | |
| 261 | V | A | 0.3226 | |
| 262 | K | A | -0.7053 | |
| 263 | Y | A | 0.5345 | |
| 264 | D | A | -1.1360 | |
| 265 | L | A | 0.3420 | |
| 266 | G | A | -0.1132 | |
| 267 | S | A | 0.2389 | |
| 268 | S | A | 0.8261 | |
| 269 | F | A | 1.6390 | |
| 270 | M | A | 0.8555 | |
| 271 | N | A | -1.0130 | |
| 272 | K | A | -1.7784 | |
| 273 | M | A | -0.9940 | |
| 274 | E | A | -2.4229 | |
| 275 | G | A | -2.0948 | |
| 276 | S | A | -1.9353 | |
| 277 | R | A | -2.7541 | |
| 278 | E | A | -2.0391 | |
| 279 | I | A | -0.2648 | |
| 280 | Y | A | -0.3414 | |
| 281 | Q | A | -0.6317 | |
| 282 | L | A | 0.2750 | |
| 283 | D | A | 0.0000 | |
| 284 | L | A | 1.0440 | |
| 285 | N | A | 0.8842 | |
| 286 | I | A | 1.3868 | |
| 287 | V | A | 1.2773 | |
| 288 | G | A | 0.7164 | |
| 289 | L | A | 0.0000 | |
| 290 | Q | A | -0.6073 | |
| 291 | F | A | 0.0000 | |
| 292 | S | A | -0.9582 | |
| 293 | H | A | -1.0882 | |
| 294 | H | A | -0.4013 | |
| 295 | H | A | -0.2790 | |
| 296 | L | A | 0.6081 | |
| 297 | F | A | -0.4361 | |
| 298 | N | A | -1.3130 | |
| 299 | Q | A | -1.5221 | |
| 300 | E | A | 0.0000 | |
| 301 | Q | A | -1.2340 | |
| 302 | V | A | -0.7187 | |
| 303 | L | A | -0.9396 | |
| 304 | C | A | 0.0000 | |
| 305 | A | A | -0.8824 | |
| 306 | R | A | -1.8911 | |
| 307 | L | A | 0.0000 | |
| 308 | L | A | -0.9968 | |
| 309 | Q | A | -2.0551 | |
| 310 | L | A | -1.1228 | |
| 311 | Y | A | 0.0000 | |
| 312 | E | A | -2.9578 | |
| 313 | C | A | -1.9024 | |
| 314 | F | A | -2.1351 | |
| 315 | Q | A | -3.3916 | |
| 316 | D | A | -3.8757 | |
| 317 | R | A | -3.2077 | |
| 318 | Q | A | -3.4958 | |
| 319 | Q | A | -3.3971 | |
| 320 | Q | A | -2.9169 | |
| 321 | N | A | -2.1501 | |
| 322 | V | A | -0.4820 | |
| 323 | S | A | -0.9285 | |
| 324 | Q | A | -0.8920 | |
| 325 | L | A | 0.1568 | |
| 326 | L | A | -0.6749 | |
| 327 | Y | A | -1.2439 | |
| 328 | E | A | -2.1176 | |
| 329 | K | A | -2.0248 | |
| 330 | L | A | 0.0000 | |
| 331 | K | A | -2.3846 | |
| 332 | A | A | -1.8970 | |
| 333 | L | A | -1.0029 | |
| 334 | T | A | -1.2813 | |
| 335 | D | A | -2.0731 | |
| 336 | A | A | -0.8362 | |
| 337 | T | A | 0.0000 | |
| 338 | K | A | -1.8466 | |
| 339 | L | A | -0.6519 | |
| 340 | S | A | -1.6010 | |
| 341 | N | A | -2.5975 | |
| 342 | E | A | -3.0069 | |
| 343 | N | A | -2.8537 | |
| 344 | S | A | -2.4300 | |
| 345 | E | A | -2.7392 | |
| 346 | I | A | -1.9186 | |
| 347 | N | A | -1.8681 | |
| 348 | Q | A | -1.9578 | |
| 349 | L | A | -0.4110 | |
| 350 | T | A | -1.9429 | |
| 351 | R | A | -3.1228 | |
| 352 | K | A | -3.1016 | |
| 353 | S | A | -1.7639 | |
| 354 | L | A | 0.0000 | |
| 355 | Q | A | -2.1785 | |
| 356 | D | A | -1.7419 | |
| 357 | Y | A | -0.3970 | |
| 358 | Y | A | 0.3541 | |
| 359 | W | A | 0.3123 | |
| 360 | Q | A | -0.5738 | |
| 361 | I | A | -0.4887 | |
| 362 | S | A | -0.7413 | |
| 363 | N | A | -1.4310 | |
| 364 | T | A | 0.0000 | |
| 365 | K | A | -1.7868 | |
| 366 | Q | A | -2.0563 | |
| 367 | M | A | -0.6936 | |
| 368 | Y | A | 0.0000 | |
| 369 | D | A | -2.1013 | |
| 370 | L | A | -0.6193 | |
| 371 | E | A | 0.0000 | |
| 372 | R | A | -1.4363 | |
| 373 | G | A | -1.2533 | |
| 374 | K | A | -1.9403 | |
| 375 | D | A | -1.2424 | |
| 376 | L | A | -0.4720 | |
| 377 | S | A | -0.9279 | |
| 378 | L | A | -0.6691 | |
| 379 | L | A | -0.5411 | |
| 380 | H | A | -1.3873 | |
| 381 | S | A | -1.2504 | |
| 382 | I | A | 0.0000 | |
| 383 | L | A | -1.3450 | |
| 384 | R | A | -2.8855 | |
| 385 | T | A | 0.0000 | |
| 386 | W | A | -2.3309 | |
| 387 | K | A | -3.1370 | |
| 388 | Q | A | -2.8902 | |
| 389 | I | A | 0.0000 | |
| 390 | K | A | -2.7809 | |
| 391 | S | A | -2.1078 | |
| 392 | L | A | -1.5633 | |
| 393 | R | A | -1.4420 | |
| 394 | H | A | -1.8279 | |
| 395 | G | A | -1.4849 | |
| 396 | Q | A | -1.3940 | |
| 397 | G | A | -0.5796 | |
| 398 | F | A | 1.0251 | |
| 399 | T | A | 0.3306 | |
| 400 | S | A | -0.1038 | |
| 401 | T | A | 0.1383 | |
| 402 | P | A | 0.1936 | |
| 403 | I | A | 0.0000 | |
| 404 | K | A | -1.2133 | |
| 405 | L | A | 0.0000 | |
| 406 | Q | A | -1.9201 | |
| 407 | V | A | -0.9548 | |
| 408 | Q | A | -2.2980 | |
| 409 | R | A | -2.2225 | |
| 410 | I | A | -0.8808 | |
| 411 | K | A | -1.9337 | |
| 412 | M | A | -0.9724 | |
| 413 | N | A | -2.1071 | |
| 414 | K | A | -2.7019 | |
| 415 | C | A | -1.2364 | |
| 416 | D | A | -2.7234 | |
| 417 | E | A | -3.2360 | |
| 418 | Q | A | -2.8731 | |
| 419 | E | A | -2.8759 | |
| 420 | Q | A | -1.5290 | |
| 421 | I | A | 0.1859 | |
| 422 | S | A | -1.0475 | |
| 423 | E | A | -2.1021 | |
| 424 | M | A | -0.5487 | |
| 425 | S | A | -1.5089 | |
| 426 | E | A | -3.3841 | |
| 427 | T | A | -3.1465 | |
| 428 | E | A | -4.1328 | |
| 429 | K | A | -4.6206 | |
| 430 | K | A | -4.5677 | |
| 431 | N | A | -4.1387 | |
| 432 | E | A | -3.9824 | |
| 433 | G | A | -3.1885 | |
| 434 | K | A | -3.0256 | |
| 435 | E | A | -2.3056 | |
| 436 | L | A | -0.9038 | |
| 437 | K | A | -2.1109 | |
| 438 | N | A | -2.3884 | |
| 439 | G | A | -2.6226 | |
| 440 | K | A | -2.6457 | |
| 441 | K | A | -2.1431 | |
| 442 | L | A | -0.7025 | |
| 443 | E | A | -1.2541 | |
| 444 | S | A | 0.0152 | |
| 445 | L | A | 1.4761 | |
| 446 | S | A | 1.4743 | |
| 447 | Y | A | 2.0505 | |
| 448 | L | A | 1.9541 | |
| 449 | A | A | 0.3345 | |
| 450 | S | A | -1.2191 | |
| 451 | D | A | -2.8280 | |
| 452 | E | A | -3.5203 | |
| 453 | T | A | -3.1108 | |
| 454 | E | A | -3.9296 | |
| 455 | I | A | -3.1494 | |
| 456 | E | A | -3.6526 | |
| 457 | R | A | -3.3947 | |
| 458 | I | A | -2.0433 | |
| 459 | K | A | -1.8188 | |
| 460 | P | A | -0.5804 | |
| 461 | I | A | 0.2900 | |
| 462 | T | A | -0.4095 | |
| 463 | L | A | -0.4645 | |
| 464 | R | A | -1.5264 | |
| 465 | P | A | 0.0000 | |
| 466 | Q | A | -1.4199 | |
| 467 | L | A | -0.3337 | |
| 468 | S | A | 0.1310 | |
| 469 | F | A | 1.4822 | |
| 470 | T | A | 0.3622 | |
| 471 | A | A | 0.0782 | |
| 472 | E | A | -0.8129 | |
| 473 | L | A | 0.9973 | |
| 474 | T | A | 0.1820 | |
| 475 | S | A | 0.1911 | |
| 476 | L | A | 1.1933 | |
| 477 | S | A | -0.0046 | |
| 478 | K | A | -0.8185 | |
| 479 | C | A | 0.7002 | |
| 480 | S | A | 1.2450 | |
| 481 | F | A | 2.2176 | |
| 482 | M | A | 2.2748 | |
| 483 | L | A | 1.6979 | |
| 484 | R | A | -0.8852 | |
| 485 | N | A | -0.9657 | |
| 486 | V | A | -0.2337 | |
| 487 | D | A | -1.8783 | |
| 488 | A | A | -0.8471 | |
| 489 | R | A | -1.8129 | |
| 490 | S | A | -0.5569 | |
| 491 | V | A | 0.7279 | |
| 492 | P | A | 0.0227 | |
| 493 | G | A | -0.1844 | |
| 494 | I | A | 0.8910 | |
| 495 | P | A | 0.7614 | |
| 496 | W | A | 1.0315 | |
| 497 | L | A | 1.7309 | |
| 498 | M | A | 1.0180 | |
| 499 | N | A | -0.7638 | |
| 500 | E | A | -2.2803 | |
| 501 | Q | A | -2.6617 | |
| 502 | K | A | -2.3113 | |
| 503 | L | A | -1.0913 | |
| 504 | F | A | -1.9185 | |
| 505 | E | A | -2.8064 | |
| 506 | W | A | -1.6921 | |
| 507 | A | A | 0.0000 | |
| 508 | N | A | -1.9444 | |
| 509 | E | A | -2.4018 | |
| 510 | V | A | -1.2566 | |
| 511 | R | A | -2.4226 | |
| 512 | I | A | -1.7457 | |
| 513 | D | A | -2.8366 | |
| 514 | P | A | -2.3837 | |
| 515 | N | A | -2.3860 | |
| 516 | N | A | -2.2100 | |
| 517 | P | A | -2.0888 | |
| 518 | E | A | -2.5776 | |
| 519 | Y | A | -1.9605 | |
| 520 | S | A | -2.4103 | |
| 521 | D | A | -2.4069 | |
| 522 | L | A | -1.1793 | |
| 523 | M | A | -1.5547 | |
| 524 | E | A | -2.1741 | |
| 525 | S | A | -1.0372 | |
| 526 | V | A | 0.0000 | |
| 527 | T | A | -0.5912 | |
| 528 | Y | A | 0.3694 | |
| 529 | M | A | -0.9590 | |
| 530 | R | A | -1.6152 | |
| 531 | L | A | -0.1215 | |
| 532 | K | A | -1.7219 | |
| 533 | G | A | -1.8388 | |
| 534 | Q | A | -2.1088 | |
| 535 | D | A | -1.8792 | |
| 536 | I | A | 0.5810 | |
| 537 | P | A | -0.2305 | |
| 538 | K | A | -0.7249 | |
| 539 | Y | A | 1.3745 | |
| 540 | F | A | 1.7917 | |
| 541 | R | A | -0.6535 | |
| 542 | L | A | 0.5731 | |
| 543 | E | A | -1.1050 | |
| 544 | Q | A | -2.1411 | |
| 545 | L | A | -1.2458 | |
| 546 | Q | A | -1.8877 | |
| 547 | D | A | -2.5299 | |
| 548 | E | A | -1.8477 | |
| 549 | F | A | 0.3269 | |
| 550 | N | A | -0.4594 | |
| 551 | F | A | 1.4463 | |
| 552 | V | A | 0.3174 | |
| 553 | S | A | -1.4630 | |
| 554 | E | A | -2.9419 | |
| 555 | E | A | -3.7945 | |
| 556 | E | A | -3.4176 | |
| 557 | M | A | -1.9073 | |
| 558 | A | A | -2.3988 | |
| 559 | K | A | -3.2218 | |
| 560 | S | A | -2.0854 | |
| 561 | K | A | -2.2291 | |
| 562 | R | A | -1.2622 | |
| 563 | F | A | -0.3325 | |
| 564 | Q | A | -1.1867 | |
| 565 | L | A | 0.0000 | |
| 566 | L | A | -1.1634 | |
| 567 | Q | A | -2.1619 | |
| 568 | L | A | 0.0000 | |
| 569 | R | A | -3.4958 | |
| 570 | N | A | -2.7586 | |
| 571 | A | A | -1.9514 | |
| 572 | G | A | -2.5437 | |
| 573 | Q | A | -2.7338 | |
| 574 | L | A | -1.4648 | |
| 575 | D | A | -1.8323 | |
| 576 | N | A | -1.0648 | |
| 577 | F | A | 1.8012 | |
| 578 | L | A | 2.2798 | |
| 579 | L | A | 1.4588 | |
| 580 | Q | A | -0.5365 | |
| 581 | Q | A | -0.8273 | |
| 582 | M | A | -0.4626 | |
| 583 | P | A | -0.4535 | |
| 584 | L | A | 0.3110 | |
| 585 | H | A | -1.4307 | |
| 586 | D | A | -2.0668 | |
| 587 | T | A | -1.8756 | |
| 588 | E | A | -2.5215 | |
| 589 | I | A | 0.0000 | |
| 590 | P | A | -1.1796 | |
| 591 | D | A | -1.4455 | |
| 592 | L | A | 0.6547 | |
| 593 | V | A | 0.4369 | |
| 594 | F | A | 0.0000 | |
| 595 | Q | A | -0.3265 | |
| 596 | V | A | 1.1334 | |
| 597 | R | A | -0.3786 | |
| 598 | R | A | -1.1831 | |
| 599 | L | A | 0.0015 | |
| 600 | I | A | 0.4823 | |
| 601 | M | A | 0.0182 | |
| 602 | K | A | -1.2652 | |
| 603 | R | A | -1.1673 | |
| 604 | I | A | 1.0573 | |
| 605 | V | A | 0.8233 | |
| 606 | K | A | -0.8126 | |
| 607 | I | A | 1.0151 | |
| 608 | S | A | 0.0443 | |
| 609 | K | A | -0.9718 | |
| 610 | C | A | -0.2772 | |
| 611 | N | A | -0.6673 | |
| 612 | L | A | 0.7299 | |
| 613 | S | A | 0.1828 | |
| 614 | D | A | -0.0426 | |
| 615 | I | A | 1.6243 | |
| 616 | V | A | 1.2486 | |
| 617 | N | A | -1.0134 | |
| 618 | D | A | -1.8318 | |
| 619 | Y | A | -1.0477 | |
| 620 | E | A | -1.8489 | |
| 621 | E | A | -1.1381 | |
| 622 | I | A | 1.5806 | |
| 623 | V | A | 1.9889 | |
| 624 | S | A | 0.8494 | |
| 625 | T | A | 0.4580 | |
| 626 | S | A | -0.5338 | |
| 627 | Q | A | -0.7085 | |
| 628 | L | A | 0.9224 | |
| 629 | T | A | -0.3043 | |
| 630 | D | A | -1.3070 | |
| 631 | A | A | 0.0170 | |
| 632 | V | A | 1.3752 | |
| 633 | C | A | 0.6917 | |
| 634 | K | A | -0.7623 | |
| 635 | F | A | 1.4866 | |
| 636 | V | A | 1.3505 | |
| 637 | E | A | -1.5574 | |
| 638 | P | A | -2.2371 | |
| 639 | R | A | -3.1888 | |
| 640 | R | A | -3.7042 | |
| 641 | K | A | -3.1445 | |
| 642 | L | A | -1.0900 | |
| 643 | K | A | -2.4926 | |
| 644 | P | A | -2.7239 | |
| 645 | Q | A | -3.5328 | |
| 646 | R | A | -4.2289 | |
| 647 | K | A | -4.3525 | |
| 648 | E | A | -4.5367 | |
| 649 | R | A | -4.0192 | |
| 650 | K | A | -3.6169 | |
| 651 | K | A | -3.0622 | |
| 652 | V | A | -0.9371 | |
| 653 | T | A | -0.3267 | |
| 654 | A | A | -0.0221 | |
| 655 | Q | A | -0.6575 | |
| 656 | A | A | -0.1362 | |
| 657 | I | A | -0.2043 | |
| 658 | S | A | -1.0491 | |
| 659 | D | A | -2.0132 | |
| 660 | G | A | -1.2001 | |
| 661 | D | A | -1.1428 | |
| 662 | I | A | -0.1002 | |
| 663 | K | A | -0.1914 | |
| 664 | I | A | 1.7245 | |
| 665 | L | A | 1.6843 | |
| 666 | V | A | 2.4244 | |
| 667 | R | A | 0.9331 | |
| 668 | I | A | 2.2340 | |
| 669 | V | A | 1.9644 | |
| 670 | R | A | 0.1155 | |
| 671 | A | A | 0.4588 | |
| 672 | Y | A | 0.2775 | |
| 673 | N | A | -0.2015 | |
| 674 | I | A | 0.9910 | |
| 675 | P | A | 0.0007 | |
| 676 | T | A | -1.1540 | |
| 677 | R | A | -2.5556 | |
| 678 | K | A | -2.3970 | |
| 679 | T | A | -1.0926 | |
| 680 | T | A | -0.3617 | |
| 681 | I | A | 0.9687 | |
| 682 | N | A | -0.6316 | |
| 683 | G | A | -0.8613 | |
| 684 | S | A | -1.0000 | |
| 685 | P | A | -1.0573 | |
| 686 | G | A | -1.4124 | |
| 687 | H | A | -1.8508 | |
| 688 | D | A | -1.5608 | |
| 689 | Y | A | 0.5384 | |
| 690 | S | A | 0.7734 | |
| 691 | F | A | 1.9934 | |
| 692 | S | A | 0.6420 | |
| 693 | S | A | 0.5973 | |
| 694 | L | A | 0.7803 | |
| 695 | S | A | -0.3479 | |
| 696 | K | A | -1.4958 | |
| 697 | I | A | -0.4063 | |
| 698 | K | A | -2.0426 | |
| 699 | D | A | -1.7801 | |
| 700 | N | A | -0.2824 | |
| 701 | I | A | 1.6578 | |
| 702 | Y | A | 1.9189 | |
| 703 | I | A | 1.7428 | |
| 704 | N | A | -0.3080 | |
| 705 | I | A | 0.1436 | |
| 706 | F | A | -0.6669 | |
| 707 | D | A | -2.4743 | |
| 708 | E | A | -2.3833 | |
| 709 | M | A | -0.8087 | |
| 710 | M | A | -0.7421 | |
| 711 | T | A | -1.6496 | |
| 712 | E | A | -2.6509 | |
| 713 | K | A | -3.1747 | |
| 714 | H | A | -2.5271 | |
| 715 | E | A | -2.5102 | |
| 716 | I | A | 0.0000 | |
| 717 | S | A | -0.2162 | |
| 718 | G | A | -0.0780 | |
| 719 | T | A | -0.2898 | |
| 720 | F | A | 0.0000 | |
| 721 | Q | A | -0.3379 | |
| 722 | V | A | 0.1800 | |
| 723 | T | A | 0.1616 | |
| 724 | I | A | 0.6786 | |
| 725 | P | A | 0.8287 | |
| 726 | P | A | 0.8932 | |
| 727 | V | A | 2.3199 | |
| 728 | L | A | 2.2044 | |
| 729 | L | A | 2.1731 | |
| 730 | G | A | 1.0145 | |
| 731 | Y | A | 1.7187 | |
| 732 | T | A | 1.0825 | |
| 733 | W | A | 1.2186 | |
| 734 | S | A | 0.4424 | |
| 735 | N | A | -0.3492 | |
| 736 | T | A | 0.8032 | |
| 737 | Y | A | 2.3648 | |
| 738 | V | A | 2.7771 | |
| 739 | F | A | 2.3591 | |
| 740 | P | A | -0.1685 | |
| 741 | K | A | -2.3592 | |
| 742 | E | A | -3.6851 | |
| 743 | D | A | -3.8797 | |
| 744 | S | A | -2.8793 | |
| 745 | N | A | -3.2762 | |
| 746 | E | A | -3.3668 | |
| 747 | Q | A | -2.8599 | |
| 748 | N | A | -2.4129 | |
| 749 | L | A | -0.9962 | |
| 750 | K | A | -2.3028 | |
| 751 | E | A | -2.3637 | |
| 752 | C | A | -1.1271 | |
| 753 | T | A | 0.0000 | |
| 754 | F | A | -0.5269 | |
| 755 | L | A | 0.0000 | |
| 756 | N | A | -0.7837 | |
| 757 | I | A | 0.0000 | |
| 758 | F | A | 0.8254 | |
| 759 | A | A | 0.0000 | |
| 760 | T | A | -1.0643 | |
| 761 | I | A | -0.6284 | |
| 762 | E | A | -1.8243 | |
| 763 | P | A | -1.8113 | |
| 764 | Q | A | -1.9135 | |
| 765 | I | A | -0.5227 | |
| 766 | S | A | 0.0162 | |
| 767 | Y | A | 0.8154 | |
| 768 | V | A | 1.7051 | |
| 769 | T | A | 0.3071 | |
| 770 | C | A | -0.4353 | |
| 771 | N | A | -1.2862 | |
| 772 | P | A | -1.0683 | |
| 773 | T | A | -0.5336 | |
| 774 | L | A | -0.0796 | |
| 775 | D | A | -1.5818 | |
| 776 | K | A | -1.3557 | |
| 777 | F | A | 0.6143 | |
| 778 | L | A | 0.6933 | |
| 779 | D | A | -1.7020 | |
| 780 | Q | A | -2.1185 | |
| 781 | T | A | -1.9198 | |
| 782 | E | A | -2.6458 | |
| 783 | V | A | -0.9528 | |
| 784 | L | A | -1.4037 | |
| 785 | Q | A | -1.8071 | |
| 786 | R | A | -1.5376 | |
| 787 | A | A | 0.0000 | |
| 788 | Q | A | -1.3371 | |
| 789 | I | A | 0.0850 | |
| 790 | F | A | 0.0000 | |
| 791 | K | A | -1.6468 | |
| 792 | K | A | -2.2186 | |
| 793 | N | A | -1.4534 | |
| 794 | C | A | 0.0000 | |
| 795 | K | A | -1.9322 | |
| 796 | A | A | -1.0197 | |
| 797 | M | A | -0.0724 | |
| 798 | F | A | -0.4080 | |
| 799 | P | A | -1.2425 | |
| 800 | N | A | -1.4609 | |
| 801 | R | A | 0.0000 | |
| 802 | R | A | -0.7797 | |
| 803 | I | A | 0.0000 | |
| 804 | V | A | -0.2922 | |
| 805 | T | A | 0.0000 | |
| 806 | T | A | -0.2607 | |
| 807 | V | A | 0.0000 | |
| 808 | F | A | -0.0524 | |
| 809 | N | A | -0.8743 | |
| 810 | D | A | -2.1515 | |
| 811 | E | A | -2.3186 | |
| 812 | G | A | -0.9491 | |
| 813 | I | A | 0.3673 | |
| 814 | Q | A | 0.2273 | |
| 815 | F | A | 0.2046 | |
| 816 | L | A | 0.0000 | |
| 817 | V | A | 0.0000 | |
| 818 | T | A | 0.0000 | |
| 819 | R | A | -2.3857 | |
| 820 | Y | A | 0.0000 | |
| 821 | I | A | 0.0000 | |
| 822 | K | A | -2.2463 | |
| 823 | A | A | -0.6254 | |
| 824 | L | A | -0.5467 | |
| 825 | N | A | -1.0759 | |
| 826 | P | A | 0.0000 | |
| 827 | P | A | -1.3212 | |
| 828 | Q | A | -2.0596 | |
| 829 | Q | A | -1.7888 | |
| 830 | L | A | -0.2582 | |
| 831 | L | A | -0.2941 | |
| 832 | D | A | -0.8895 | |
| 833 | I | A | 1.1400 | |
| 834 | F | A | 1.1404 | |
| 835 | L | A | 1.1720 | |
| 836 | H | A | -0.6314 | |
| 837 | N | A | -0.9879 | |
| 838 | S | A | -1.0603 | |
| 839 | N | A | -1.9735 | |
| 840 | A | A | -0.9655 | |
| 841 | T | A | 0.0000 | |
| 842 | F | A | -0.9722 | |
| 843 | D | A | -2.0722 | |
| 844 | L | A | -0.6681 | |
| 845 | I | A | 0.0000 | |
| 846 | A | A | 0.0000 | |
| 847 | R | A | -1.1095 | |
| 848 | F | A | 0.2016 | |
| 849 | V | A | 0.0000 | |
| 850 | S | A | 0.4180 | |
| 851 | L | A | 1.5364 | |
| 852 | I | A | 1.4932 | |
| 853 | P | A | 1.1677 | |
| 854 | F | A | 1.1861 | |
| 855 | V | A | 0.8527 | |
| 856 | P | A | -0.5521 | |
| 857 | N | A | -1.6520 | |
| 858 | T | A | -1.5829 | |
| 859 | P | A | -2.1799 | |
| 860 | D | A | -3.4341 | |
| 861 | E | A | -3.4556 | |
| 862 | N | A | -3.2811 | |
| 863 | D | A | -2.7264 | |
| 864 | G | A | -1.6732 | |
| 865 | S | A | -0.7187 | |
| 866 | D | A | -1.1054 | |
| 867 | I | A | 0.5317 | |
| 868 | W | A | 0.0000 | |
| 869 | M | A | -0.2256 | |
| 870 | T | A | -0.9668 | |
| 871 | S | A | 0.0000 | |
| 872 | E | A | -1.1087 | |
| 873 | H | A | -0.8019 | |
| 874 | C | A | 0.0000 | |
| 875 | I | A | 0.6540 | |
| 876 | S | A | 0.4038 | |
| 877 | L | A | 1.5005 | |
| 878 | A | A | 1.3026 | |
| 879 | I | A | 1.6703 | |
| 880 | G | A | 0.0000 | |
| 881 | N | A | 0.2194 | |
| 882 | K | A | -0.5095 | |
| 883 | E | A | 0.0000 | |
| 884 | E | A | 0.0000 | |
| 885 | H | A | 0.0000 | |
| 886 | A | A | 0.0000 | |
| 887 | I | A | 0.0000 | |
| 888 | L | A | 0.0000 | |
| 889 | L | A | 0.0000 | |
| 890 | C | A | 0.0000 | |
| 891 | N | A | 0.0000 | |
| 892 | F | A | 0.0000 | |
| 893 | F | A | 0.0000 | |
| 894 | L | A | -0.0577 | |
| 895 | Y | A | 0.6910 | |
| 896 | F | A | 0.8192 | |
| 897 | G | A | 0.0115 | |
| 898 | K | A | -0.6048 | |
| 899 | K | A | -1.1953 | |
| 900 | A | A | 0.0000 | |
| 901 | L | A | 0.0000 | |
| 902 | V | A | 0.0000 | |
| 903 | L | A | 0.0000 | |
| 904 | L | A | 0.0000 | |
| 905 | G | A | 0.0000 | |
| 906 | T | A | -0.9977 | |
| 907 | S | A | 0.0000 | |
| 908 | V | A | -0.7985 | |
| 909 | L | A | -0.1767 | |
| 910 | E | A | -0.6567 | |
| 911 | G | A | -1.1375 | |
| 912 | H | A | -1.0493 | |
| 913 | V | A | 0.0000 | |
| 914 | A | A | 0.0000 | |
| 915 | Y | A | 0.0000 | |
| 916 | V | A | 0.0000 | |
| 917 | V | A | 0.0000 | |
| 918 | T | A | 0.0000 | |
| 919 | Q | A | -1.5608 | |
| 920 | E | A | -1.8339 | |
| 921 | T | A | -1.4001 | |
| 922 | N | A | -2.0975 | |
| 923 | E | A | -1.9708 | |
| 924 | Y | A | -0.7883 | |
| 925 | L | A | -0.4382 | |
| 926 | L | A | 0.0000 | |
| 927 | W | A | 0.0000 | |
| 928 | N | A | 0.0000 | |
| 929 | P | A | 0.0000 | |
| 930 | S | A | -0.1205 | |
| 931 | T | A | -0.2069 | |
| 932 | G | A | -0.8087 | |
| 933 | Q | A | -0.9116 | |
| 934 | C | A | -0.4781 | |
| 935 | Y | A | -0.0125 | |
| 936 | K | A | -0.5412 | |
| 937 | Q | A | 0.4347 | |
| 938 | F | A | 1.5406 | |
| 939 | D | A | 0.5279 | |
| 940 | P | A | 0.4749 | |
| 941 | F | A | 0.8205 | |
| 942 | C | A | 0.0000 | |
| 943 | P | A | -0.2326 | |
| 944 | L | A | 0.0000 | |
| 945 | K | A | -1.5494 | |
| 946 | S | A | 0.0000 | |
| 947 | V | A | 0.0000 | |
| 948 | D | A | 0.0000 | |
| 949 | C | A | 0.0000 | |
| 950 | L | A | 0.0000 | |
| 951 | F | A | 0.0000 | |
| 952 | D | A | 0.0000 | |
| 953 | D | A | -3.2027 | |
| 954 | R | A | -2.6049 | |
| 955 | N | A | 0.0000 | |
| 956 | V | A | 0.0000 | |
| 957 | W | A | 0.0000 | |
| 958 | F | A | 0.0000 | |
| 959 | N | A | 0.0000 | |
| 960 | I | A | -0.2247 | |
| 961 | Q | A | 0.0000 | |
| 962 | Q | A | -1.5705 | |
| 963 | N | A | -1.4270 | |
| 964 | N | A | -0.9566 | |
| 965 | T | A | -0.7049 | |
| 966 | P | A | 0.0000 | |
| 967 | M | A | 0.8903 | |
| 968 | A | A | 0.5262 | |
| 969 | V | A | 0.0000 | |
| 970 | F | A | 1.6883 | |
| 971 | F | A | 0.0000 | |
| 972 | D | A | -0.4200 | |
| 973 | Y | A | -0.7292 | |
| 974 | S | A | -1.4500 | |
| 975 | K | A | -2.2107 | |
| 976 | E | A | -2.6930 | |
| 977 | S | A | -1.3823 | |
| 978 | F | A | -0.5010 | |
| 979 | W | A | 0.0000 | |
| 980 | K | A | -1.3518 | |
| 981 | Q | A | -1.2475 | |
| 982 | L | A | 0.0000 | |
| 983 | L | A | -1.0237 | |
| 984 | P | A | -1.6929 | |
| 985 | K | A | -2.6066 | |
| 986 | N | A | -2.2906 | |
| 987 | V | A | -1.3632 | |
| 988 | Q | A | -2.2025 | |
| 989 | G | A | -1.6378 | |
| 990 | T | A | -1.0946 | |
| 991 | K | A | -1.7714 | |
| 992 | I | A | 0.1493 | |
| 993 | Q | A | -1.1630 | |
| 994 | S | A | -0.0968 | |
| 995 | I | A | 0.8238 | |
| 996 | Q | A | 0.8136 | |
| 997 | V | A | 1.7314 | |
| 998 | T | A | 1.1243 | |
| 999 | G | A | 1.1086 | |
| 1000 | F | A | 1.2584 | |
| 1001 | P | A | 0.7675 | |
| 1002 | I | A | 0.4143 | |
| 1003 | Q | A | -0.3181 | |
| 1004 | M | A | 0.2764 | |
| 1005 | P | A | 1.0025 | |
| 1006 | Y | A | 2.1871 | |
| 1007 | I | A | 2.5717 | |
| 1008 | D | A | 1.2440 | |
| 1009 | V | A | 1.4792 | |
| 1010 | Q | A | -0.3569 | |
| 1011 | S | A | 0.1678 | |
| 1012 | I | A | 0.6399 | |
| 1013 | I | A | 0.3964 | |
| 1014 | D | A | -1.1670 | |
| 1015 | A | A | -0.5729 | |
| 1016 | V | A | 0.0796 | |
| 1017 | Y | A | 0.2016 | |
| 1018 | Q | A | -0.9803 | |
| 1019 | T | A | -0.3954 | |
| 1020 | G | A | -0.4359 | |
| 1021 | I | A | -0.2387 | |
| 1022 | H | A | -0.9151 | |
| 1023 | S | A | -0.7620 | |
| 1024 | A | A | -1.0845 | |
| 1025 | E | A | -1.5146 | |
| 1026 | F | A | -0.2979 | |
| 1027 | P | A | -0.8887 | |
| 1028 | Q | A | -1.5768 | |
| 1029 | T | A | -1.0792 | |
| 1030 | E | A | -1.1416 | |
| 1031 | F | A | 0.5504 | |
| 1032 | A | A | 1.1887 | |
| 1033 | L | A | 2.3500 | |
| 1034 | A | A | 2.1768 | |
| 1035 | V | A | 3.3709 | |
| 1036 | Y | A | 2.7472 | |
| 1037 | I | A | 2.2030 | |
| 1038 | H | A | 0.6285 | |
| 1039 | P | A | 0.3026 | |
| 1040 | Y | A | 0.7668 | |
| 1041 | P | A | -0.3183 | |
| 1042 | N | A | -1.2235 | |
| 1043 | N | A | -0.7342 | |
| 1044 | I | A | 1.3906 | |
| 1045 | L | A | 1.4773 | |
| 1046 | S | A | 0.0000 | |
| 1047 | V | A | 0.0000 | |
| 1048 | W | A | 1.4579 | |
| 1049 | V | A | 0.0000 | |
| 1050 | Y | A | 1.9753 | |
| 1051 | L | A | 0.0000 | |
| 1052 | A | A | 1.0378 | |
| 1053 | S | A | 0.0000 | |
| 1054 | L | A | 0.5128 | |
| 1055 | V | A | 0.0000 | |
| 1056 | Q | A | -0.8648 | |
| 1057 | H | A | -1.2131 | |
| 1058 | Q | A | -1.7065 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.3963 | 8.0227 | View | CSV | PDB |
| 4.5 | -0.4965 | 8.0227 | View | CSV | PDB |
| 5.0 | -0.6216 | 8.0227 | View | CSV | PDB |
| 5.5 | -0.7458 | 8.0227 | View | CSV | PDB |
| 6.0 | -0.8412 | 8.0227 | View | CSV | PDB |
| 6.5 | -0.8882 | 8.0227 | View | CSV | PDB |
| 7.0 | -0.8856 | 8.0227 | View | CSV | PDB |
| 7.5 | -0.848 | 8.0227 | View | CSV | PDB |
| 8.0 | -0.7912 | 8.0227 | View | CSV | PDB |
| 8.5 | -0.7217 | 8.0227 | View | CSV | PDB |
| 9.0 | -0.6401 | 8.0227 | 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