| Chain sequence(s) |
A: MLELKTNVIQDPELKDSLDLQENDRVEIIGDAVHYIVNDHLNRVFNYTVDQQKIHAALITTFASGKKAIVVILDDIGYVYYVGDNNNDSYIINVPFSTESAWSSPSGLYLQRHRSSDENLNTDLPHIFCLNDPLDELTLIKFDGKKILSLFDSIVYVVGEIVVTHNKKEKKLSFWRSRFIDPESDQSIKSSRNRRRESSFSREKNPDLTRSDSIHYTANTRLSEKFEEQGLAYSTIFSHIESFPITGSTSFDSILGNGVLVITTLVKELEKGYMMLFRLVRDRSPYFLDSLQLHAINLSAIKSKHLQKIVVLSSKGKVSLESPMSPSLPIEGTFRSFRVHGATLYLEDTDGVQRYISLDNRASNSLVKWCLSVIRYVLPLREYEIFYTGHLYALFAFKLSHDEAFISSILACFTFFSRDKVHVEPIEDCNEAYSLSSKFHFKKEILIASQLSSHLDYSTFKNYLMPLAITLHFISEELRLDSVVKPRKDQLVALLLQITTWLKWPRYCEYYNFDIAETFLSIPLSIQVDVEEPVGPTSILQWIIECLRSQSTVPFYGLESYGLPHSCSTMFPQTLSLMQLLDCLLNPNMTLQNLVEEMVRLGISRKRCERYPFGILCIIFTVLEIAAEEYSPNWESEELRLVNRLDVDSFLHPKTPKWVFNKQDQEVKEIKALTSTVTDSTLVDTQSFHPYKVVTDMIFREDRRLAEVNKLLNYSSQITIMTEHFDVDLSSVPMQQKVAQCICVRTLSVPIGAGMLTYGSKNPLPTEKVTPRLFNFTLHLHPGTLIIQPNKEFVTQELTEWPEFNVGVALGLSISKFSKEINTSWIMFNRPETLTAYHAGFLFGLGLNGHLKALATWHSFIYLTSKHDTTSIGLLLGLASSYLGSMDAKVTKLLSVHISALLPVGSNELNISPLTQTAGILGIGLLFHDSCHRRMSEVTMEEILASNESELKNEGYKLAAGFSLGLINLGRGSNLPGMSDLKLVSRLQVGISSQATFQSLEAGSPGAIMALTMIYMKTNDLEVAKKIDIPKSRYLLDFYRPDLILLRVAGKNLIMWDEVKADYEWVKYQIPDIMLSQFDLQEKKVLSSDDLLLYNVLAGICFSLGLRFAGTGNPKAKEILINFLDSFIRLCHLPAKTHDERVTAVTVIRCTQIVALSSSCVMAGYCDLDVLRRLRVLHGRMEPVNYGAQMATHMALGILSLGGGRYSLSRSNLAIAALLISFYPQFPRTTQDNRAHLQAARNLWALAVEERCIIPRNQDTKQPCIVPLNVVQKSGAVQKLEAPILLPPYDSISSVSTLGDKYWNLKIDLDNNSDYRELLRESQTLTLMPYDRTSSKEEPLNLFPKLKDTSSPLWNLVKTSRLFQSSNSPLNVASLQESNNKTSLGVKLLLSMDFDNLTRDRLLSLQILLQFFESCWTGVLLNKFHSRQYLFLSRDLVEDLSLRVWEYVYSHNHNEESV
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] (00:00:03)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:03)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:03)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:03)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:21)
[INFO] FoldX: Starting FoldX energy minimization (00:00:22)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:45:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b0aa75e1cf7c4f1/tmp/folded.pdb (00:45:10)
[INFO] Main: Simulation completed successfully. (01:05:58)
|
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 | 0.7459 | |
| 2 | L | A | -0.2303 | |
| 3 | E | A | -1.4202 | |
| 4 | L | A | 0.0000 | |
| 5 | K | A | -2.5593 | |
| 6 | T | A | -1.7224 | |
| 7 | N | A | -1.3891 | |
| 8 | V | A | -0.0859 | |
| 9 | I | A | -0.7665 | |
| 10 | Q | A | -1.6124 | |
| 11 | D | A | -1.9901 | |
| 12 | P | A | -2.1319 | |
| 13 | E | A | -2.7821 | |
| 14 | L | A | -1.4335 | |
| 15 | K | A | -2.3569 | |
| 16 | D | A | -2.6709 | |
| 17 | S | A | -1.1006 | |
| 18 | L | A | 0.0811 | |
| 19 | D | A | -1.3767 | |
| 20 | L | A | -0.4866 | |
| 21 | Q | A | -2.8250 | |
| 22 | E | A | -4.0306 | |
| 23 | N | A | -3.4056 | |
| 24 | D | A | -2.7639 | |
| 25 | R | A | -2.1767 | |
| 26 | V | A | -0.2958 | |
| 27 | E | A | -0.2526 | |
| 28 | I | A | 1.0777 | |
| 29 | I | A | 1.0875 | |
| 30 | G | A | -0.7342 | |
| 31 | D | A | -2.0109 | |
| 32 | A | A | -0.5781 | |
| 33 | V | A | 0.0000 | |
| 34 | H | A | 0.1618 | |
| 35 | Y | A | 0.0000 | |
| 36 | I | A | -1.5990 | |
| 37 | V | A | -2.2307 | |
| 38 | N | A | -3.2359 | |
| 39 | D | A | -3.4910 | |
| 40 | H | A | -1.9340 | |
| 41 | L | A | -0.3710 | |
| 42 | N | A | -1.4466 | |
| 43 | R | A | -0.7435 | |
| 44 | V | A | 0.4357 | |
| 45 | F | A | -0.3068 | |
| 46 | N | A | -1.2115 | |
| 47 | Y | A | 0.0000 | |
| 48 | T | A | -0.8661 | |
| 49 | V | A | 0.6365 | |
| 50 | D | A | -1.0076 | |
| 51 | Q | A | -1.7642 | |
| 52 | Q | A | -1.9804 | |
| 53 | K | A | -2.7423 | |
| 54 | I | A | -1.0191 | |
| 55 | H | A | -1.0405 | |
| 56 | A | A | -0.2347 | |
| 57 | A | A | 0.2118 | |
| 58 | L | A | 0.2358 | |
| 59 | I | A | 0.2086 | |
| 60 | T | A | 0.0000 | |
| 61 | T | A | -0.8772 | |
| 62 | F | A | 0.0000 | |
| 63 | A | A | -0.6423 | |
| 64 | S | A | -0.9655 | |
| 65 | G | A | -1.2899 | |
| 66 | K | A | -1.9663 | |
| 67 | K | A | -1.4746 | |
| 68 | A | A | 0.0000 | |
| 69 | I | A | 0.0000 | |
| 70 | V | A | 0.0000 | |
| 71 | V | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | D | A | -1.6739 | |
| 75 | D | A | -1.4620 | |
| 76 | I | A | -0.1554 | |
| 77 | G | A | 0.0000 | |
| 78 | Y | A | 0.9651 | |
| 79 | V | A | 0.0000 | |
| 80 | Y | A | -0.1495 | |
| 81 | Y | A | -1.3417 | |
| 82 | V | A | -1.1722 | |
| 83 | G | A | -2.3002 | |
| 84 | D | A | -3.4573 | |
| 85 | N | A | -3.3255 | |
| 86 | N | A | -3.6342 | |
| 87 | N | A | -3.3617 | |
| 88 | D | A | -3.0708 | |
| 89 | S | A | -0.7450 | |
| 90 | Y | A | 1.1636 | |
| 91 | I | A | 2.2125 | |
| 92 | I | A | 0.0000 | |
| 93 | N | A | -0.8955 | |
| 94 | V | A | 0.0000 | |
| 95 | P | A | -0.4173 | |
| 96 | F | A | -0.8602 | |
| 97 | S | A | -1.2627 | |
| 98 | T | A | 0.0000 | |
| 99 | E | A | -1.9717 | |
| 100 | S | A | -0.8472 | |
| 101 | A | A | -0.2305 | |
| 102 | W | A | 0.4245 | |
| 103 | S | A | 0.2019 | |
| 104 | S | A | 0.0000 | |
| 105 | P | A | -0.5848 | |
| 106 | S | A | -0.5718 | |
| 107 | G | A | 0.0000 | |
| 108 | L | A | 0.0000 | |
| 109 | Y | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | Q | A | 0.0000 | |
| 112 | R | A | -1.3487 | |
| 113 | H | A | -2.0270 | |
| 114 | R | A | -2.3458 | |
| 115 | S | A | -2.0657 | |
| 116 | S | A | -1.8733 | |
| 117 | D | A | -2.8332 | |
| 118 | E | A | -2.8986 | |
| 119 | N | A | -2.2816 | |
| 120 | L | A | -0.4358 | |
| 121 | N | A | -1.5045 | |
| 122 | T | A | -1.3226 | |
| 123 | D | A | -1.4568 | |
| 124 | L | A | -0.2537 | |
| 125 | P | A | 0.0049 | |
| 126 | H | A | -0.4208 | |
| 127 | I | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | C | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | N | A | -0.6722 | |
| 132 | D | A | -0.7210 | |
| 133 | P | A | 0.0000 | |
| 134 | L | A | 0.7661 | |
| 135 | D | A | -1.4527 | |
| 136 | E | A | -1.7382 | |
| 137 | L | A | -0.8260 | |
| 138 | T | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | K | A | -0.8265 | |
| 142 | F | A | -0.6145 | |
| 143 | D | A | -1.9140 | |
| 144 | G | A | -1.7648 | |
| 145 | K | A | -2.0675 | |
| 146 | K | A | -0.8686 | |
| 147 | I | A | 1.0883 | |
| 148 | L | A | 1.2795 | |
| 149 | S | A | 0.5025 | |
| 150 | L | A | 0.9552 | |
| 151 | F | A | -0.3475 | |
| 152 | D | A | 0.0000 | |
| 153 | S | A | -0.1220 | |
| 154 | I | A | 0.0000 | |
| 155 | V | A | 0.5056 | |
| 156 | Y | A | 0.5228 | |
| 157 | V | A | 0.2494 | |
| 158 | V | A | -0.1051 | |
| 159 | G | A | -0.6692 | |
| 160 | E | A | -1.2471 | |
| 161 | I | A | 0.0000 | |
| 162 | V | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | T | A | 0.0000 | |
| 165 | H | A | 0.0000 | |
| 166 | N | A | 0.0000 | |
| 167 | K | A | -3.3458 | |
| 168 | K | A | -3.4978 | |
| 169 | E | A | -3.5495 | |
| 170 | K | A | -3.5733 | |
| 171 | K | A | -2.4763 | |
| 172 | L | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | R | A | -1.3110 | |
| 177 | S | A | 0.0000 | |
| 178 | R | A | -2.0664 | |
| 179 | F | A | -0.8056 | |
| 180 | I | A | -1.3044 | |
| 181 | D | A | -2.7508 | |
| 182 | P | A | -2.2610 | |
| 183 | E | A | -3.1374 | |
| 184 | S | A | -2.6031 | |
| 185 | D | A | -3.1515 | |
| 186 | Q | A | -2.6873 | |
| 187 | S | A | -1.3595 | |
| 188 | I | A | -1.2005 | |
| 189 | K | A | -2.6441 | |
| 190 | S | A | -1.9681 | |
| 191 | S | A | -2.9071 | |
| 192 | R | A | -3.9420 | |
| 193 | N | A | -4.0713 | |
| 194 | R | A | -4.7838 | |
| 195 | R | A | -5.1873 | |
| 196 | R | A | -4.7094 | |
| 197 | E | A | -3.5981 | |
| 198 | S | A | -1.8364 | |
| 199 | S | A | -0.9505 | |
| 200 | F | A | 0.8080 | |
| 201 | S | A | -0.8399 | |
| 202 | R | A | -3.1007 | |
| 203 | E | A | -3.8573 | |
| 204 | K | A | -3.6914 | |
| 205 | N | A | -3.0941 | |
| 206 | P | A | -1.9692 | |
| 207 | D | A | -1.4648 | |
| 208 | L | A | -0.0330 | |
| 209 | T | A | -0.7505 | |
| 210 | R | A | -2.0694 | |
| 211 | S | A | -1.8027 | |
| 212 | D | A | -2.0517 | |
| 213 | S | A | -0.4550 | |
| 214 | I | A | 1.3062 | |
| 215 | H | A | 0.3769 | |
| 216 | Y | A | 1.1375 | |
| 217 | T | A | 0.3065 | |
| 218 | A | A | -0.6849 | |
| 219 | N | A | -1.4273 | |
| 220 | T | A | -1.4493 | |
| 221 | R | A | -2.2095 | |
| 222 | L | A | -1.3507 | |
| 223 | S | A | -1.7894 | |
| 224 | E | A | -2.9505 | |
| 225 | K | A | -3.0820 | |
| 226 | F | A | -2.4163 | |
| 227 | E | A | -3.5688 | |
| 228 | E | A | -4.2442 | |
| 229 | Q | A | -3.8481 | |
| 230 | G | A | -3.3986 | |
| 231 | L | A | -1.2578 | |
| 232 | A | A | -0.5875 | |
| 233 | Y | A | 0.0549 | |
| 234 | S | A | -0.3421 | |
| 235 | T | A | 0.0000 | |
| 236 | I | A | -0.8816 | |
| 237 | F | A | 0.0000 | |
| 238 | S | A | -1.4032 | |
| 239 | H | A | -0.9399 | |
| 240 | I | A | -0.2130 | |
| 241 | E | A | -0.5730 | |
| 242 | S | A | -0.4808 | |
| 243 | F | A | -0.4406 | |
| 244 | P | A | -1.0515 | |
| 245 | I | A | 0.0000 | |
| 246 | T | A | -1.5179 | |
| 247 | G | A | -1.3550 | |
| 248 | S | A | -0.8294 | |
| 249 | T | A | -0.6453 | |
| 250 | S | A | -0.3204 | |
| 251 | F | A | 0.1198 | |
| 252 | D | A | -0.3397 | |
| 253 | S | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | L | A | 0.5947 | |
| 256 | G | A | -0.2653 | |
| 257 | N | A | -0.3631 | |
| 258 | G | A | -0.2610 | |
| 259 | V | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | T | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | K | A | -2.3407 | |
| 268 | E | A | -2.2409 | |
| 269 | L | A | -0.7835 | |
| 270 | E | A | -1.8971 | |
| 271 | K | A | -1.6617 | |
| 272 | G | A | 0.0000 | |
| 273 | Y | A | -0.3667 | |
| 274 | M | A | 0.0000 | |
| 275 | M | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | F | A | 0.0000 | |
| 278 | R | A | -0.2363 | |
| 279 | L | A | -0.5796 | |
| 280 | V | A | -1.4937 | |
| 281 | R | A | -3.1023 | |
| 282 | D | A | -3.4596 | |
| 283 | R | A | -3.0987 | |
| 284 | S | A | -1.5064 | |
| 285 | P | A | 0.0000 | |
| 286 | Y | A | 0.7563 | |
| 287 | F | A | 0.6803 | |
| 288 | L | A | 0.4162 | |
| 289 | D | A | -1.0896 | |
| 290 | S | A | -0.6831 | |
| 291 | L | A | -0.5252 | |
| 292 | Q | A | -1.1567 | |
| 293 | L | A | -0.9153 | |
| 294 | H | A | -1.5605 | |
| 295 | A | A | 0.0000 | |
| 296 | I | A | -1.0631 | |
| 297 | N | A | -0.9145 | |
| 298 | L | A | 0.0000 | |
| 299 | S | A | -0.5595 | |
| 300 | A | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | K | A | -1.7516 | |
| 303 | S | A | -2.1113 | |
| 304 | K | A | -2.6452 | |
| 305 | H | A | -2.3410 | |
| 306 | L | A | 0.0000 | |
| 307 | Q | A | -0.9956 | |
| 308 | K | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | V | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | S | A | -1.3371 | |
| 314 | S | A | -1.5957 | |
| 315 | K | A | -2.1729 | |
| 316 | G | A | -1.5867 | |
| 317 | K | A | -1.4196 | |
| 318 | V | A | 0.0000 | |
| 319 | S | A | -0.5208 | |
| 320 | L | A | 0.0000 | |
| 321 | E | A | -0.3941 | |
| 322 | S | A | -0.2538 | |
| 323 | P | A | -0.1136 | |
| 324 | M | A | 0.0155 | |
| 325 | S | A | -0.1770 | |
| 326 | P | A | -0.1465 | |
| 327 | S | A | -0.2302 | |
| 328 | L | A | 0.0000 | |
| 329 | P | A | 0.0000 | |
| 330 | I | A | 0.0000 | |
| 331 | E | A | -2.4115 | |
| 332 | G | A | -1.4080 | |
| 333 | T | A | -1.6219 | |
| 334 | F | A | 0.0000 | |
| 335 | R | A | -2.7652 | |
| 336 | S | A | -1.8503 | |
| 337 | F | A | 0.0000 | |
| 338 | R | A | -1.9456 | |
| 339 | V | A | -0.9756 | |
| 340 | H | A | -1.4728 | |
| 341 | G | A | -1.8606 | |
| 342 | A | A | -1.4218 | |
| 343 | T | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | Y | A | -0.8864 | |
| 346 | L | A | 0.0000 | |
| 347 | E | A | -2.3840 | |
| 348 | D | A | -2.0323 | |
| 349 | T | A | -1.9338 | |
| 350 | D | A | -2.3985 | |
| 351 | G | A | -1.8755 | |
| 352 | V | A | -0.8036 | |
| 353 | Q | A | -1.2749 | |
| 354 | R | A | -0.9419 | |
| 355 | Y | A | -0.6655 | |
| 356 | I | A | 0.0000 | |
| 357 | S | A | -0.8016 | |
| 358 | L | A | 0.0000 | |
| 359 | D | A | -2.0736 | |
| 360 | N | A | -2.4961 | |
| 361 | R | A | -3.0974 | |
| 362 | A | A | -2.0182 | |
| 363 | S | A | -1.4802 | |
| 364 | N | A | -1.1573 | |
| 365 | S | A | -0.8701 | |
| 366 | L | A | -0.6021 | |
| 367 | V | A | 0.0000 | |
| 368 | K | A | -1.6241 | |
| 369 | W | A | -0.4887 | |
| 370 | C | A | 0.0000 | |
| 371 | L | A | -0.4028 | |
| 372 | S | A | -0.4643 | |
| 373 | V | A | 0.0000 | |
| 374 | I | A | 0.0000 | |
| 375 | R | A | -0.4718 | |
| 376 | Y | A | 0.3295 | |
| 377 | V | A | 0.2457 | |
| 378 | L | A | 0.0000 | |
| 379 | P | A | -0.1317 | |
| 380 | L | A | -0.0625 | |
| 381 | R | A | -0.6805 | |
| 382 | E | A | 0.0000 | |
| 383 | Y | A | -0.0928 | |
| 384 | E | A | -0.2599 | |
| 385 | I | A | -0.1772 | |
| 386 | F | A | 0.0000 | |
| 387 | Y | A | 0.1050 | |
| 388 | T | A | 0.0000 | |
| 389 | G | A | 0.0000 | |
| 390 | H | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | Y | A | -0.0935 | |
| 393 | A | A | 0.0000 | |
| 394 | L | A | -0.4647 | |
| 395 | F | A | 0.0000 | |
| 396 | A | A | -0.5416 | |
| 397 | F | A | -0.2096 | |
| 398 | K | A | -1.3686 | |
| 399 | L | A | 0.0000 | |
| 400 | S | A | -0.8216 | |
| 401 | H | A | -1.3818 | |
| 402 | D | A | -1.0732 | |
| 403 | E | A | -1.1112 | |
| 404 | A | A | 0.0000 | |
| 405 | F | A | 0.0000 | |
| 406 | I | A | 0.0000 | |
| 407 | S | A | 0.0000 | |
| 408 | S | A | 0.0000 | |
| 409 | I | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | A | A | 0.0000 | |
| 412 | C | A | 0.0000 | |
| 413 | F | A | 0.0000 | |
| 414 | T | A | -0.3007 | |
| 415 | F | A | -0.4515 | |
| 416 | F | A | -0.9806 | |
| 417 | S | A | -1.7918 | |
| 418 | R | A | -2.9891 | |
| 419 | D | A | -3.2090 | |
| 420 | K | A | -2.2709 | |
| 421 | V | A | -0.2628 | |
| 422 | H | A | -1.0038 | |
| 423 | V | A | -0.3705 | |
| 424 | E | A | -1.4116 | |
| 425 | P | A | -0.8217 | |
| 426 | I | A | 0.2698 | |
| 427 | E | A | -1.9704 | |
| 428 | D | A | -2.5111 | |
| 429 | C | A | -1.2438 | |
| 430 | N | A | -2.3394 | |
| 431 | E | A | -2.2212 | |
| 432 | A | A | -0.1050 | |
| 433 | Y | A | 0.9436 | |
| 434 | S | A | 0.8801 | |
| 435 | L | A | 1.3736 | |
| 436 | S | A | 0.2198 | |
| 437 | S | A | -0.7318 | |
| 438 | K | A | -1.3766 | |
| 439 | F | A | -0.9539 | |
| 440 | H | A | -1.5123 | |
| 441 | F | A | 0.0000 | |
| 442 | K | A | -2.0468 | |
| 443 | K | A | -2.2520 | |
| 444 | E | A | 0.0000 | |
| 445 | I | A | -0.5054 | |
| 446 | L | A | -0.6236 | |
| 447 | I | A | 0.0000 | |
| 448 | A | A | 0.0000 | |
| 449 | S | A | -0.2756 | |
| 450 | Q | A | -0.7502 | |
| 451 | L | A | 0.0000 | |
| 452 | S | A | -0.7115 | |
| 453 | S | A | -1.0994 | |
| 454 | H | A | -1.3964 | |
| 455 | L | A | -1.1148 | |
| 456 | D | A | -1.8692 | |
| 457 | Y | A | 0.0000 | |
| 458 | S | A | -1.0105 | |
| 459 | T | A | -1.1524 | |
| 460 | F | A | 0.0000 | |
| 461 | K | A | -2.0503 | |
| 462 | N | A | -1.9115 | |
| 463 | Y | A | -0.8396 | |
| 464 | L | A | 0.0000 | |
| 465 | M | A | -0.4492 | |
| 466 | P | A | -0.0320 | |
| 467 | L | A | 0.0000 | |
| 468 | A | A | 0.0000 | |
| 469 | I | A | 0.0000 | |
| 470 | T | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | H | A | 0.0000 | |
| 473 | F | A | 0.0000 | |
| 474 | I | A | 0.0000 | |
| 475 | S | A | 0.0000 | |
| 476 | E | A | 0.0000 | |
| 477 | E | A | 0.0000 | |
| 478 | L | A | 0.0000 | |
| 479 | R | A | 0.0000 | |
| 480 | L | A | 0.0000 | |
| 481 | D | A | 0.0000 | |
| 482 | S | A | 0.0032 | |
| 483 | V | A | 1.0442 | |
| 484 | V | A | -0.0500 | |
| 485 | K | A | -1.0494 | |
| 486 | P | A | -1.1227 | |
| 487 | R | A | -1.3962 | |
| 488 | K | A | 0.0000 | |
| 489 | D | A | -1.1241 | |
| 490 | Q | A | -0.9083 | |
| 491 | L | A | 0.0000 | |
| 492 | V | A | 0.0000 | |
| 493 | A | A | 0.0000 | |
| 494 | L | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | L | A | -0.1317 | |
| 497 | Q | A | 0.2520 | |
| 498 | I | A | 0.0000 | |
| 499 | T | A | 0.0000 | |
| 500 | T | A | -0.7557 | |
| 501 | W | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | K | A | -2.8453 | |
| 504 | W | A | 0.0000 | |
| 505 | P | A | -2.1170 | |
| 506 | R | A | -2.6493 | |
| 507 | Y | A | 0.0000 | |
| 508 | C | A | -1.6082 | |
| 509 | E | A | -2.2545 | |
| 510 | Y | A | -0.9574 | |
| 511 | Y | A | 0.0000 | |
| 512 | N | A | -0.5176 | |
| 513 | F | A | 0.7797 | |
| 514 | D | A | -0.1032 | |
| 515 | I | A | 0.0928 | |
| 516 | A | A | -0.3956 | |
| 517 | E | A | -1.2417 | |
| 518 | T | A | -0.7076 | |
| 519 | F | A | 0.1021 | |
| 520 | L | A | 0.8672 | |
| 521 | S | A | 1.0014 | |
| 522 | I | A | 2.1909 | |
| 523 | P | A | 1.1686 | |
| 524 | L | A | 0.7945 | |
| 525 | S | A | -0.3417 | |
| 526 | I | A | 0.0000 | |
| 527 | Q | A | -2.4169 | |
| 528 | V | A | 0.0000 | |
| 529 | D | A | -2.6605 | |
| 530 | V | A | -2.2056 | |
| 531 | E | A | -2.3197 | |
| 532 | E | A | -1.7522 | |
| 533 | P | A | -0.0733 | |
| 534 | V | A | 1.2346 | |
| 535 | G | A | 0.0107 | |
| 536 | P | A | -0.1848 | |
| 537 | T | A | 0.3356 | |
| 538 | S | A | 0.0000 | |
| 539 | I | A | 0.0000 | |
| 540 | L | A | 0.0000 | |
| 541 | Q | A | -1.3808 | |
| 542 | W | A | 0.0000 | |
| 543 | I | A | 0.0000 | |
| 544 | I | A | 0.0000 | |
| 545 | E | A | -2.2824 | |
| 546 | C | A | 0.0000 | |
| 547 | L | A | 0.0000 | |
| 548 | R | A | -2.7158 | |
| 549 | S | A | -1.5514 | |
| 550 | Q | A | -1.2183 | |
| 551 | S | A | -0.9089 | |
| 552 | T | A | -0.5001 | |
| 553 | V | A | 0.1121 | |
| 554 | P | A | 0.4006 | |
| 555 | F | A | 0.6621 | |
| 556 | Y | A | 1.2697 | |
| 557 | G | A | 0.0553 | |
| 558 | L | A | -0.7697 | |
| 559 | E | A | -1.9235 | |
| 560 | S | A | -0.4271 | |
| 561 | Y | A | -0.2809 | |
| 562 | G | A | -1.1741 | |
| 563 | L | A | 0.0000 | |
| 564 | P | A | -1.0001 | |
| 565 | H | A | -1.5199 | |
| 566 | S | A | -0.5436 | |
| 567 | C | A | 0.0000 | |
| 568 | S | A | -0.5931 | |
| 569 | T | A | -0.2609 | |
| 570 | M | A | 0.0209 | |
| 571 | F | A | 0.0000 | |
| 572 | P | A | -0.1306 | |
| 573 | Q | A | -0.1201 | |
| 574 | T | A | 0.0000 | |
| 575 | L | A | 0.2823 | |
| 576 | S | A | 0.0000 | |
| 577 | L | A | 0.0000 | |
| 578 | M | A | -0.2501 | |
| 579 | Q | A | -0.8333 | |
| 580 | L | A | 0.0000 | |
| 581 | L | A | 0.0000 | |
| 582 | D | A | -0.9217 | |
| 583 | C | A | 0.0000 | |
| 584 | L | A | 0.0000 | |
| 585 | L | A | 0.0000 | |
| 586 | N | A | -1.1533 | |
| 587 | P | A | -1.2749 | |
| 588 | N | A | -1.5091 | |
| 589 | M | A | -0.9064 | |
| 590 | T | A | -0.7108 | |
| 591 | L | A | 0.0000 | |
| 592 | Q | A | -1.0950 | |
| 593 | N | A | -1.2626 | |
| 594 | L | A | 0.0000 | |
| 595 | V | A | 0.0000 | |
| 596 | E | A | -1.9457 | |
| 597 | E | A | -1.8871 | |
| 598 | M | A | 0.0000 | |
| 599 | V | A | -1.6967 | |
| 600 | R | A | -2.2242 | |
| 601 | L | A | -0.8691 | |
| 602 | G | A | -1.1395 | |
| 603 | I | A | 0.0000 | |
| 604 | S | A | -1.5585 | |
| 605 | R | A | -2.1596 | |
| 606 | K | A | -2.7489 | |
| 607 | R | A | -2.2158 | |
| 608 | C | A | 0.0000 | |
| 609 | E | A | -2.4085 | |
| 610 | R | A | -1.9711 | |
| 611 | Y | A | 0.0000 | |
| 612 | P | A | -0.1829 | |
| 613 | F | A | 0.0375 | |
| 614 | G | A | 0.0000 | |
| 615 | I | A | 0.0000 | |
| 616 | L | A | 0.0000 | |
| 617 | C | A | 0.0000 | |
| 618 | I | A | 0.0000 | |
| 619 | I | A | 0.0000 | |
| 620 | F | A | 0.0000 | |
| 621 | T | A | 0.0000 | |
| 622 | V | A | 0.0000 | |
| 623 | L | A | 0.0000 | |
| 624 | E | A | -0.9551 | |
| 625 | I | A | 0.0000 | |
| 626 | A | A | 0.0000 | |
| 627 | A | A | 0.0000 | |
| 628 | E | A | -2.6868 | |
| 629 | E | A | -2.4587 | |
| 630 | Y | A | -1.3161 | |
| 631 | S | A | -1.3370 | |
| 632 | P | A | -1.2189 | |
| 633 | N | A | -1.7988 | |
| 634 | W | A | 0.0000 | |
| 635 | E | A | -3.0140 | |
| 636 | S | A | -2.2038 | |
| 637 | E | A | -3.1720 | |
| 638 | E | A | 0.0000 | |
| 639 | L | A | 0.0000 | |
| 640 | R | A | -2.4240 | |
| 641 | L | A | 0.0000 | |
| 642 | V | A | 0.0000 | |
| 643 | N | A | -1.1122 | |
| 644 | R | A | 0.0000 | |
| 645 | L | A | -0.5962 | |
| 646 | D | A | 0.0000 | |
| 647 | V | A | 0.0000 | |
| 648 | D | A | 0.0000 | |
| 649 | S | A | -0.4567 | |
| 650 | F | A | 0.0000 | |
| 651 | L | A | -0.6275 | |
| 652 | H | A | -1.1944 | |
| 653 | P | A | -1.3066 | |
| 654 | K | A | -2.0706 | |
| 655 | T | A | -1.1943 | |
| 656 | P | A | -1.0408 | |
| 657 | K | A | -0.5263 | |
| 658 | W | A | -0.0868 | |
| 659 | V | A | 0.6708 | |
| 660 | F | A | -0.8262 | |
| 661 | N | A | -2.5206 | |
| 662 | K | A | -4.0419 | |
| 663 | Q | A | -3.5251 | |
| 664 | D | A | -3.8083 | |
| 665 | Q | A | -3.3225 | |
| 666 | E | A | -2.9139 | |
| 667 | V | A | -0.5103 | |
| 668 | K | A | -1.6312 | |
| 669 | E | A | -1.4487 | |
| 670 | I | A | 0.5823 | |
| 671 | K | A | -1.2221 | |
| 672 | A | A | -0.4265 | |
| 673 | L | A | 0.5298 | |
| 674 | T | A | 0.2560 | |
| 675 | S | A | 0.2515 | |
| 676 | T | A | 0.7468 | |
| 677 | V | A | 1.3274 | |
| 678 | T | A | 0.5420 | |
| 679 | D | A | 0.2195 | |
| 680 | S | A | 0.4456 | |
| 681 | T | A | 0.5109 | |
| 682 | L | A | 1.7205 | |
| 683 | V | A | 1.0998 | |
| 684 | D | A | -0.6718 | |
| 685 | T | A | -0.6185 | |
| 686 | Q | A | -1.1652 | |
| 687 | S | A | -0.4977 | |
| 688 | F | A | 0.7596 | |
| 689 | H | A | -0.3887 | |
| 690 | P | A | 0.0541 | |
| 691 | Y | A | -0.4883 | |
| 692 | K | A | -1.5546 | |
| 693 | V | A | -0.7058 | |
| 694 | V | A | 0.0000 | |
| 695 | T | A | -1.4182 | |
| 696 | D | A | -3.1664 | |
| 697 | M | A | -1.2890 | |
| 698 | I | A | -1.1887 | |
| 699 | F | A | 0.0000 | |
| 700 | R | A | -3.8220 | |
| 701 | E | A | -3.7767 | |
| 702 | D | A | -3.5886 | |
| 703 | R | A | -3.4858 | |
| 704 | R | A | -2.4730 | |
| 705 | L | A | 0.0000 | |
| 706 | A | A | -1.9983 | |
| 707 | E | A | -2.1465 | |
| 708 | V | A | 0.0000 | |
| 709 | N | A | -2.1549 | |
| 710 | K | A | -2.4720 | |
| 711 | L | A | -1.4365 | |
| 712 | L | A | 0.0000 | |
| 713 | N | A | -1.4571 | |
| 714 | Y | A | 0.0000 | |
| 715 | S | A | -0.2002 | |
| 716 | S | A | -0.6948 | |
| 717 | Q | A | -0.7442 | |
| 718 | I | A | -0.3009 | |
| 719 | T | A | -0.0617 | |
| 720 | I | A | -0.2327 | |
| 721 | M | A | -0.5546 | |
| 722 | T | A | -1.3891 | |
| 723 | E | A | -2.3145 | |
| 724 | H | A | -1.8253 | |
| 725 | F | A | -1.3434 | |
| 726 | D | A | -2.0486 | |
| 727 | V | A | -0.9711 | |
| 728 | D | A | -1.6862 | |
| 729 | L | A | -0.6469 | |
| 730 | S | A | -0.2819 | |
| 731 | S | A | 0.2739 | |
| 732 | V | A | 1.2751 | |
| 733 | P | A | 0.0589 | |
| 734 | M | A | -0.3984 | |
| 735 | Q | A | -0.5593 | |
| 736 | Q | A | -1.1021 | |
| 737 | K | A | -1.8057 | |
| 738 | V | A | 0.0000 | |
| 739 | A | A | 0.0000 | |
| 740 | Q | A | -1.1582 | |
| 741 | C | A | -0.8526 | |
| 742 | I | A | 0.0000 | |
| 743 | C | A | 0.0000 | |
| 744 | V | A | 0.1844 | |
| 745 | R | A | -0.1557 | |
| 746 | T | A | 0.0000 | |
| 747 | L | A | 0.0000 | |
| 748 | S | A | 0.0000 | |
| 749 | V | A | 0.0000 | |
| 750 | P | A | 0.0000 | |
| 751 | I | A | 0.0000 | |
| 752 | G | A | 0.0000 | |
| 753 | A | A | -0.2246 | |
| 754 | G | A | 0.0000 | |
| 755 | M | A | 0.0000 | |
| 756 | L | A | 0.0000 | |
| 757 | T | A | -0.2244 | |
| 758 | Y | A | 0.0000 | |
| 759 | G | A | 0.0000 | |
| 760 | S | A | 0.0000 | |
| 761 | K | A | -1.0721 | |
| 762 | N | A | -1.2748 | |
| 763 | P | A | 0.0000 | |
| 764 | L | A | 0.2594 | |
| 765 | P | A | -0.5953 | |
| 766 | T | A | -0.1931 | |
| 767 | E | A | -0.2840 | |
| 768 | K | A | -0.7075 | |
| 769 | V | A | 0.0000 | |
| 770 | T | A | -0.2467 | |
| 771 | P | A | -0.0531 | |
| 772 | R | A | -0.0371 | |
| 773 | L | A | 1.0307 | |
| 774 | F | A | 0.4378 | |
| 775 | N | A | -0.2000 | |
| 776 | F | A | -0.1202 | |
| 777 | T | A | -0.3723 | |
| 778 | L | A | 0.0000 | |
| 779 | H | A | 0.0626 | |
| 780 | L | A | 0.0000 | |
| 781 | H | A | -0.7056 | |
| 782 | P | A | -0.8082 | |
| 783 | G | A | -0.1974 | |
| 784 | T | A | 0.2413 | |
| 785 | L | A | 0.9257 | |
| 786 | I | A | 0.9856 | |
| 787 | I | A | 0.0000 | |
| 788 | Q | A | -1.5307 | |
| 789 | P | A | 0.0000 | |
| 790 | N | A | -3.0225 | |
| 791 | K | A | -3.0779 | |
| 792 | E | A | -2.7190 | |
| 793 | F | A | -1.5762 | |
| 794 | V | A | -1.2158 | |
| 795 | T | A | -1.7368 | |
| 796 | Q | A | -2.0184 | |
| 797 | E | A | -2.4333 | |
| 798 | L | A | -1.1259 | |
| 799 | T | A | -1.0787 | |
| 800 | E | A | -1.4029 | |
| 801 | W | A | 0.0000 | |
| 802 | P | A | 0.0000 | |
| 803 | E | A | -0.3647 | |
| 804 | F | A | 0.0000 | |
| 805 | N | A | 0.0000 | |
| 806 | V | A | 0.0000 | |
| 807 | G | A | 0.0000 | |
| 808 | V | A | 0.0000 | |
| 809 | A | A | 0.1080 | |
| 810 | L | A | 0.0784 | |
| 811 | G | A | 0.0000 | |
| 812 | L | A | 0.0000 | |
| 813 | S | A | 0.0000 | |
| 814 | I | A | 0.0000 | |
| 815 | S | A | -0.4882 | |
| 816 | K | A | -0.4664 | |
| 817 | F | A | 0.3559 | |
| 818 | S | A | -0.8566 | |
| 819 | K | A | -2.1791 | |
| 820 | E | A | -1.9197 | |
| 821 | I | A | 0.0000 | |
| 822 | N | A | -1.8486 | |
| 823 | T | A | -0.7528 | |
| 824 | S | A | -0.2069 | |
| 825 | W | A | 0.0000 | |
| 826 | I | A | 0.0000 | |
| 827 | M | A | 0.3491 | |
| 828 | F | A | 0.8323 | |
| 829 | N | A | 0.0000 | |
| 830 | R | A | -0.8131 | |
| 831 | P | A | -0.9906 | |
| 832 | E | A | -2.0072 | |
| 833 | T | A | -1.0162 | |
| 834 | L | A | -0.6389 | |
| 835 | T | A | -0.3357 | |
| 836 | A | A | 0.0000 | |
| 837 | Y | A | -0.0382 | |
| 838 | H | A | 0.0000 | |
| 839 | A | A | 0.0000 | |
| 840 | G | A | 0.0000 | |
| 841 | F | A | 0.0000 | |
| 842 | L | A | 0.0000 | |
| 843 | F | A | 0.0000 | |
| 844 | G | A | 0.0000 | |
| 845 | L | A | 0.0000 | |
| 846 | G | A | 0.0000 | |
| 847 | L | A | 0.0000 | |
| 848 | N | A | 0.0000 | |
| 849 | G | A | -0.4930 | |
| 850 | H | A | 0.0000 | |
| 851 | L | A | 0.0000 | |
| 852 | K | A | -1.8280 | |
| 853 | A | A | -1.1894 | |
| 854 | L | A | 0.0000 | |
| 855 | A | A | 0.0077 | |
| 856 | T | A | 0.3612 | |
| 857 | W | A | 1.6399 | |
| 858 | H | A | 1.0659 | |
| 859 | S | A | 0.0000 | |
| 860 | F | A | 1.9134 | |
| 861 | I | A | 1.3454 | |
| 862 | Y | A | 0.0000 | |
| 863 | L | A | 0.1784 | |
| 864 | T | A | -0.0309 | |
| 865 | S | A | -0.7128 | |
| 866 | K | A | -1.9102 | |
| 867 | H | A | -1.3884 | |
| 868 | D | A | -1.1891 | |
| 869 | T | A | 0.0000 | |
| 870 | T | A | 0.0000 | |
| 871 | S | A | -0.5734 | |
| 872 | I | A | 0.0000 | |
| 873 | G | A | 0.0000 | |
| 874 | L | A | 0.0000 | |
| 875 | L | A | 0.0000 | |
| 876 | L | A | 0.0000 | |
| 877 | G | A | 0.0000 | |
| 878 | L | A | 0.0000 | |
| 879 | A | A | 0.0000 | |
| 880 | S | A | 0.0000 | |
| 881 | S | A | 0.0000 | |
| 882 | Y | A | -0.0373 | |
| 883 | L | A | 0.2823 | |
| 884 | G | A | -0.2128 | |
| 885 | S | A | -0.0441 | |
| 886 | M | A | 0.0766 | |
| 887 | D | A | -0.7401 | |
| 888 | A | A | -1.2428 | |
| 889 | K | A | -2.2799 | |
| 890 | V | A | 0.0000 | |
| 891 | T | A | -1.1349 | |
| 892 | K | A | -1.9648 | |
| 893 | L | A | 0.0000 | |
| 894 | L | A | 0.0000 | |
| 895 | S | A | -0.1268 | |
| 896 | V | A | 1.0123 | |
| 897 | H | A | 0.3484 | |
| 898 | I | A | 0.0000 | |
| 899 | S | A | -0.1469 | |
| 900 | A | A | 0.2378 | |
| 901 | L | A | 0.3986 | |
| 902 | L | A | 0.3399 | |
| 903 | P | A | 0.6031 | |
| 904 | V | A | 1.3253 | |
| 905 | G | A | -0.2356 | |
| 906 | S | A | -0.7850 | |
| 907 | N | A | -2.0500 | |
| 908 | E | A | -2.4529 | |
| 909 | L | A | -0.9016 | |
| 910 | N | A | -1.4538 | |
| 911 | I | A | -0.5041 | |
| 912 | S | A | -0.3192 | |
| 913 | P | A | -0.3059 | |
| 914 | L | A | 0.0517 | |
| 915 | T | A | 0.0000 | |
| 916 | Q | A | 0.0000 | |
| 917 | T | A | 0.0000 | |
| 918 | A | A | 0.0000 | |
| 919 | G | A | 0.0000 | |
| 920 | I | A | 0.0000 | |
| 921 | L | A | 0.0000 | |
| 922 | G | A | 0.0000 | |
| 923 | I | A | 0.0000 | |
| 924 | G | A | 0.0000 | |
| 925 | L | A | 0.0000 | |
| 926 | L | A | 0.0000 | |
| 927 | F | A | 0.0000 | |
| 928 | H | A | -0.4365 | |
| 929 | D | A | -1.1208 | |
| 930 | S | A | -0.6255 | |
| 931 | C | A | -1.1519 | |
| 932 | H | A | -1.4136 | |
| 933 | R | A | -2.0430 | |
| 934 | R | A | -2.3925 | |
| 935 | M | A | 0.0000 | |
| 936 | S | A | 0.0000 | |
| 937 | E | A | -1.7059 | |
| 938 | V | A | -1.2217 | |
| 939 | T | A | 0.0000 | |
| 940 | M | A | 0.0000 | |
| 941 | E | A | -2.0581 | |
| 942 | E | A | -1.0872 | |
| 943 | I | A | 0.0000 | |
| 944 | L | A | -0.6261 | |
| 945 | A | A | -1.0184 | |
| 946 | S | A | -1.2966 | |
| 947 | N | A | -2.5840 | |
| 948 | E | A | -2.7038 | |
| 949 | S | A | -2.0711 | |
| 950 | E | A | -2.3429 | |
| 951 | L | A | -1.0514 | |
| 952 | K | A | -1.7332 | |
| 953 | N | A | -2.1288 | |
| 954 | E | A | -2.0976 | |
| 955 | G | A | 0.0000 | |
| 956 | Y | A | 0.0000 | |
| 957 | K | A | 0.0000 | |
| 958 | L | A | 0.0000 | |
| 959 | A | A | 0.0000 | |
| 960 | A | A | 0.0000 | |
| 961 | G | A | 0.0000 | |
| 962 | F | A | 0.0000 | |
| 963 | S | A | 0.0000 | |
| 964 | L | A | 0.0000 | |
| 965 | G | A | 0.0000 | |
| 966 | L | A | 0.0000 | |
| 967 | I | A | 0.0000 | |
| 968 | N | A | 0.0000 | |
| 969 | L | A | 0.0000 | |
| 970 | G | A | -1.1092 | |
| 971 | R | A | -1.7108 | |
| 972 | G | A | 0.0000 | |
| 973 | S | A | -1.1351 | |
| 974 | N | A | -1.7658 | |
| 975 | L | A | -1.1498 | |
| 976 | P | A | -1.0458 | |
| 977 | G | A | -1.2701 | |
| 978 | M | A | 0.0000 | |
| 979 | S | A | -1.8243 | |
| 980 | D | A | -2.4514 | |
| 981 | L | A | -2.0693 | |
| 982 | K | A | -2.6294 | |
| 983 | L | A | 0.0000 | |
| 984 | V | A | -0.8076 | |
| 985 | S | A | -1.1866 | |
| 986 | R | A | -1.8540 | |
| 987 | L | A | 0.0000 | |
| 988 | Q | A | -0.3957 | |
| 989 | V | A | 0.1962 | |
| 990 | G | A | 0.0000 | |
| 991 | I | A | 0.0000 | |
| 992 | S | A | -0.5579 | |
| 993 | S | A | -0.4517 | |
| 994 | Q | A | -0.6332 | |
| 995 | A | A | -0.1513 | |
| 996 | T | A | 0.1119 | |
| 997 | F | A | 0.8853 | |
| 998 | Q | A | -0.8574 | |
| 999 | S | A | -1.0244 | |
| 1000 | L | A | -0.8277 | |
| 1001 | E | A | -2.2043 | |
| 1002 | A | A | -1.6280 | |
| 1003 | G | A | 0.0000 | |
| 1004 | S | A | 0.0000 | |
| 1005 | P | A | 0.0000 | |
| 1006 | G | A | 0.0000 | |
| 1007 | A | A | 0.0000 | |
| 1008 | I | A | 0.0000 | |
| 1009 | M | A | 0.0000 | |
| 1010 | A | A | 0.0000 | |
| 1011 | L | A | 0.0000 | |
| 1012 | T | A | 0.0000 | |
| 1013 | M | A | 0.0000 | |
| 1014 | I | A | 0.0000 | |
| 1015 | Y | A | 0.0000 | |
| 1016 | M | A | 0.0000 | |
| 1017 | K | A | -1.2195 | |
| 1018 | T | A | -0.8763 | |
| 1019 | N | A | -1.2525 | |
| 1020 | D | A | -0.8977 | |
| 1021 | L | A | -0.2916 | |
| 1022 | E | A | -2.0821 | |
| 1023 | V | A | 0.0000 | |
| 1024 | A | A | 0.0000 | |
| 1025 | K | A | -2.4924 | |
| 1026 | K | A | -1.9244 | |
| 1027 | I | A | 0.0000 | |
| 1028 | D | A | -1.7704 | |
| 1029 | I | A | -0.7988 | |
| 1030 | P | A | -1.3167 | |
| 1031 | K | A | -2.0412 | |
| 1032 | S | A | -1.2310 | |
| 1033 | R | A | -1.4931 | |
| 1034 | Y | A | 0.3298 | |
| 1035 | L | A | 0.4732 | |
| 1036 | L | A | 0.0000 | |
| 1037 | D | A | -1.0900 | |
| 1038 | F | A | 0.8982 | |
| 1039 | Y | A | -0.1336 | |
| 1040 | R | A | -1.5438 | |
| 1041 | P | A | -0.6651 | |
| 1042 | D | A | 0.0000 | |
| 1043 | L | A | 0.0000 | |
| 1044 | I | A | 0.0000 | |
| 1045 | L | A | 0.0000 | |
| 1046 | L | A | 0.0000 | |
| 1047 | R | A | 0.0000 | |
| 1048 | V | A | 0.0000 | |
| 1049 | A | A | 0.0000 | |
| 1050 | G | A | 0.0000 | |
| 1051 | K | A | -0.7145 | |
| 1052 | N | A | 0.0000 | |
| 1053 | L | A | 0.0000 | |
| 1054 | I | A | 0.0000 | |
| 1055 | M | A | -0.9848 | |
| 1056 | W | A | 0.0000 | |
| 1057 | D | A | -2.8670 | |
| 1058 | E | A | -2.5975 | |
| 1059 | V | A | 0.0000 | |
| 1060 | K | A | -2.8207 | |
| 1061 | A | A | -2.0328 | |
| 1062 | D | A | -1.8560 | |
| 1063 | Y | A | -0.9624 | |
| 1064 | E | A | -1.7772 | |
| 1065 | W | A | 0.0000 | |
| 1066 | V | A | 0.0000 | |
| 1067 | K | A | -0.8041 | |
| 1068 | Y | A | 0.2744 | |
| 1069 | Q | A | -0.2173 | |
| 1070 | I | A | 0.0000 | |
| 1071 | P | A | -1.0002 | |
| 1072 | D | A | -1.5309 | |
| 1073 | I | A | -0.6434 | |
| 1074 | M | A | 0.0000 | |
| 1075 | L | A | -0.3357 | |
| 1076 | S | A | -0.6236 | |
| 1077 | Q | A | -1.3859 | |
| 1078 | F | A | -1.0462 | |
| 1079 | D | A | -2.1533 | |
| 1080 | L | A | 0.0000 | |
| 1081 | Q | A | -3.0110 | |
| 1082 | E | A | -3.0776 | |
| 1083 | K | A | -2.0881 | |
| 1084 | K | A | -1.6608 | |
| 1085 | V | A | 0.6227 | |
| 1086 | L | A | 0.0000 | |
| 1087 | S | A | -0.7627 | |
| 1088 | S | A | -1.2966 | |
| 1089 | D | A | -2.0581 | |
| 1090 | D | A | 0.0000 | |
| 1091 | L | A | -0.3689 | |
| 1092 | L | A | -0.6005 | |
| 1093 | L | A | 0.0000 | |
| 1094 | Y | A | 0.0000 | |
| 1095 | N | A | 0.0000 | |
| 1096 | V | A | 0.0000 | |
| 1097 | L | A | 0.0000 | |
| 1098 | A | A | 0.0000 | |
| 1099 | G | A | 0.0000 | |
| 1100 | I | A | 0.0000 | |
| 1101 | C | A | 0.0000 | |
| 1102 | F | A | 0.0000 | |
| 1103 | S | A | 0.0000 | |
| 1104 | L | A | 0.0000 | |
| 1105 | G | A | 0.0000 | |
| 1106 | L | A | 0.0000 | |
| 1107 | R | A | -0.6840 | |
| 1108 | F | A | -0.2759 | |
| 1109 | A | A | 0.0000 | |
| 1110 | G | A | 0.0000 | |
| 1111 | T | A | -0.1672 | |
| 1112 | G | A | -0.4848 | |
| 1113 | N | A | -1.1430 | |
| 1114 | P | A | -1.7161 | |
| 1115 | K | A | -2.7555 | |
| 1116 | A | A | 0.0000 | |
| 1117 | K | A | -2.1398 | |
| 1118 | E | A | -2.9896 | |
| 1119 | I | A | 0.0000 | |
| 1120 | L | A | 0.0000 | |
| 1121 | I | A | 0.0000 | |
| 1122 | N | A | -2.0470 | |
| 1123 | F | A | 0.0000 | |
| 1124 | L | A | 0.0000 | |
| 1125 | D | A | -1.4842 | |
| 1126 | S | A | -1.3007 | |
| 1127 | F | A | 0.0000 | |
| 1128 | I | A | -0.4954 | |
| 1129 | R | A | -1.3797 | |
| 1130 | L | A | 0.0000 | |
| 1131 | C | A | -0.2666 | |
| 1132 | H | A | -0.9829 | |
| 1133 | L | A | -0.6952 | |
| 1134 | P | A | -1.0156 | |
| 1135 | A | A | -1.4999 | |
| 1136 | K | A | -2.5087 | |
| 1137 | T | A | -1.9809 | |
| 1138 | H | A | -2.1594 | |
| 1139 | D | A | -2.0474 | |
| 1140 | E | A | -1.4963 | |
| 1141 | R | A | -2.1416 | |
| 1142 | V | A | -0.1765 | |
| 1143 | T | A | 0.0000 | |
| 1144 | A | A | -0.2931 | |
| 1145 | V | A | 0.5409 | |
| 1146 | T | A | 0.0000 | |
| 1147 | V | A | 0.0000 | |
| 1148 | I | A | 0.5533 | |
| 1149 | R | A | 0.0529 | |
| 1150 | C | A | 0.0000 | |
| 1151 | T | A | 0.0000 | |
| 1152 | Q | A | 0.0000 | |
| 1153 | I | A | 0.0000 | |
| 1154 | V | A | 0.0000 | |
| 1155 | A | A | 0.0000 | |
| 1156 | L | A | 0.0000 | |
| 1157 | S | A | 0.0000 | |
| 1158 | S | A | 0.0000 | |
| 1159 | S | A | 0.0000 | |
| 1160 | C | A | 0.0000 | |
| 1161 | V | A | 0.0000 | |
| 1162 | M | A | 0.0000 | |
| 1163 | A | A | 0.0000 | |
| 1164 | G | A | 0.0000 | |
| 1165 | Y | A | 0.3539 | |
| 1166 | C | A | 0.0000 | |
| 1167 | D | A | -0.4961 | |
| 1168 | L | A | -0.7472 | |
| 1169 | D | A | -1.5502 | |
| 1170 | V | A | 0.0000 | |
| 1171 | L | A | 0.0000 | |
| 1172 | R | A | -2.2497 | |
| 1173 | R | A | -1.4275 | |
| 1174 | L | A | 0.0000 | |
| 1175 | R | A | -1.3653 | |
| 1176 | V | A | -0.2509 | |
| 1177 | L | A | 0.0000 | |
| 1178 | H | A | -0.3891 | |
| 1179 | G | A | -0.6002 | |
| 1180 | R | A | -0.9058 | |
| 1181 | M | A | -0.9364 | |
| 1182 | E | A | -1.9301 | |
| 1183 | P | A | -1.2653 | |
| 1184 | V | A | -0.6503 | |
| 1185 | N | A | -0.8716 | |
| 1186 | Y | A | 0.0000 | |
| 1187 | G | A | 0.0000 | |
| 1188 | A | A | 0.0000 | |
| 1189 | Q | A | 0.0000 | |
| 1190 | M | A | 0.0000 | |
| 1191 | A | A | 0.0000 | |
| 1192 | T | A | 0.0000 | |
| 1193 | H | A | 0.0000 | |
| 1194 | M | A | 0.0000 | |
| 1195 | A | A | 0.0000 | |
| 1196 | L | A | 0.0000 | |
| 1197 | G | A | 0.0000 | |
| 1198 | I | A | 0.0000 | |
| 1199 | L | A | 0.0000 | |
| 1200 | S | A | 0.0000 | |
| 1201 | L | A | 0.0000 | |
| 1202 | G | A | 0.0000 | |
| 1203 | G | A | -0.5151 | |
| 1204 | G | A | 0.0000 | |
| 1205 | R | A | 0.0000 | |
| 1206 | Y | A | 0.0000 | |
| 1207 | S | A | 0.0000 | |
| 1208 | L | A | 0.0000 | |
| 1209 | S | A | 0.0000 | |
| 1210 | R | A | -0.9117 | |
| 1211 | S | A | -0.5258 | |
| 1212 | N | A | -0.7507 | |
| 1213 | L | A | -0.2231 | |
| 1214 | A | A | 0.0000 | |
| 1215 | I | A | 0.0000 | |
| 1216 | A | A | 0.0000 | |
| 1217 | A | A | 0.0000 | |
| 1218 | L | A | 0.0000 | |
| 1219 | L | A | 0.0000 | |
| 1220 | I | A | 0.0000 | |
| 1221 | S | A | 0.0000 | |
| 1222 | F | A | 0.0000 | |
| 1223 | Y | A | 0.0000 | |
| 1224 | P | A | 0.0000 | |
| 1225 | Q | A | -0.5531 | |
| 1226 | F | A | -0.4115 | |
| 1227 | P | A | 0.0000 | |
| 1228 | R | A | -2.2188 | |
| 1229 | T | A | -1.1355 | |
| 1230 | T | A | 0.0000 | |
| 1231 | Q | A | -1.5773 | |
| 1232 | D | A | -1.5161 | |
| 1233 | N | A | -1.5576 | |
| 1234 | R | A | -2.5534 | |
| 1235 | A | A | -1.3883 | |
| 1236 | H | A | 0.0000 | |
| 1237 | L | A | 0.0000 | |
| 1238 | Q | A | 0.0000 | |
| 1239 | A | A | 0.0000 | |
| 1240 | A | A | 0.0000 | |
| 1241 | R | A | 0.0000 | |
| 1242 | N | A | 0.0000 | |
| 1243 | L | A | 0.0000 | |
| 1244 | W | A | 0.0000 | |
| 1245 | A | A | 0.0000 | |
| 1246 | L | A | 0.1754 | |
| 1247 | A | A | 0.0000 | |
| 1248 | V | A | 0.0000 | |
| 1249 | E | A | -1.4550 | |
| 1250 | E | A | -1.5017 | |
| 1251 | R | A | 0.0000 | |
| 1252 | C | A | 0.0000 | |
| 1253 | I | A | 0.0000 | |
| 1254 | I | A | 0.3800 | |
| 1255 | P | A | 0.0000 | |
| 1256 | R | A | 0.0000 | |
| 1257 | N | A | -1.5166 | |
| 1258 | Q | A | -1.8191 | |
| 1259 | D | A | -2.8307 | |
| 1260 | T | A | -2.1832 | |
| 1261 | K | A | -3.0632 | |
| 1262 | Q | A | -2.3631 | |
| 1263 | P | A | 0.0000 | |
| 1264 | C | A | 0.2354 | |
| 1265 | I | A | 0.9680 | |
| 1266 | V | A | 0.0000 | |
| 1267 | P | A | -1.0444 | |
| 1268 | L | A | 0.0000 | |
| 1269 | N | A | -0.9732 | |
| 1270 | V | A | 0.0000 | |
| 1271 | V | A | -0.0276 | |
| 1272 | Q | A | -0.9854 | |
| 1273 | K | A | -2.2393 | |
| 1274 | S | A | -1.0102 | |
| 1275 | G | A | -0.6880 | |
| 1276 | A | A | -0.0020 | |
| 1277 | V | A | 0.7942 | |
| 1278 | Q | A | -0.8301 | |
| 1279 | K | A | -1.9169 | |
| 1280 | L | A | -1.4681 | |
| 1281 | E | A | -1.7730 | |
| 1282 | A | A | 0.0000 | |
| 1283 | P | A | 0.0000 | |
| 1284 | I | A | 0.3107 | |
| 1285 | L | A | 0.0000 | |
| 1286 | L | A | 0.0000 | |
| 1287 | P | A | -0.3616 | |
| 1288 | P | A | -0.8330 | |
| 1289 | Y | A | -1.0903 | |
| 1290 | D | A | -2.3086 | |
| 1291 | S | A | -1.4581 | |
| 1292 | I | A | 0.0000 | |
| 1293 | S | A | -1.7368 | |
| 1294 | S | A | -1.1029 | |
| 1295 | V | A | 0.0000 | |
| 1296 | S | A | 0.0000 | |
| 1297 | T | A | 0.0000 | |
| 1298 | L | A | -1.3265 | |
| 1299 | G | A | -1.5118 | |
| 1300 | D | A | -3.2858 | |
| 1301 | K | A | -3.2654 | |
| 1302 | Y | A | -1.8488 | |
| 1303 | W | A | -1.6050 | |
| 1304 | N | A | -2.2149 | |
| 1305 | L | A | 0.0000 | |
| 1306 | K | A | -2.1549 | |
| 1307 | I | A | 0.0000 | |
| 1308 | D | A | -2.0561 | |
| 1309 | L | A | 0.0000 | |
| 1310 | D | A | -3.2792 | |
| 1311 | N | A | -2.8284 | |
| 1312 | N | A | -2.7982 | |
| 1313 | S | A | -2.5928 | |
| 1314 | D | A | -3.1867 | |
| 1315 | Y | A | -2.5512 | |
| 1316 | R | A | -3.2519 | |
| 1317 | E | A | -3.7309 | |
| 1318 | L | A | -2.5052 | |
| 1319 | L | A | 0.0000 | |
| 1320 | R | A | -3.7800 | |
| 1321 | E | A | -3.0927 | |
| 1322 | S | A | -1.8252 | |
| 1323 | Q | A | -1.3543 | |
| 1324 | T | A | -0.3610 | |
| 1325 | L | A | 0.0000 | |
| 1326 | T | A | 0.0000 | |
| 1327 | L | A | 0.0000 | |
| 1328 | M | A | 0.0000 | |
| 1329 | P | A | -1.8234 | |
| 1330 | Y | A | -2.1542 | |
| 1331 | D | A | -2.9486 | |
| 1332 | R | A | -3.3227 | |
| 1333 | T | A | -2.4230 | |
| 1334 | S | A | -2.5339 | |
| 1335 | S | A | -2.3834 | |
| 1336 | K | A | -3.4446 | |
| 1337 | E | A | -3.4977 | |
| 1338 | E | A | -2.9628 | |
| 1339 | P | A | -1.3252 | |
| 1340 | L | A | 0.6768 | |
| 1341 | N | A | 0.0498 | |
| 1342 | L | A | 1.8113 | |
| 1343 | F | A | 2.1161 | |
| 1344 | P | A | -0.0713 | |
| 1345 | K | A | -1.2838 | |
| 1346 | L | A | 0.0680 | |
| 1347 | K | A | -2.1389 | |
| 1348 | D | A | -2.7084 | |
| 1349 | T | A | -1.4583 | |
| 1350 | S | A | -0.5596 | |
| 1351 | S | A | -0.1534 | |
| 1352 | P | A | 0.8485 | |
| 1353 | L | A | 2.2535 | |
| 1354 | W | A | 1.8739 | |
| 1355 | N | A | 0.4259 | |
| 1356 | L | A | 2.0326 | |
| 1357 | V | A | 1.7696 | |
| 1358 | K | A | -0.4095 | |
| 1359 | T | A | -0.5038 | |
| 1360 | S | A | -0.3856 | |
| 1361 | R | A | -0.7386 | |
| 1362 | L | A | 1.1579 | |
| 1363 | F | A | 1.5271 | |
| 1364 | Q | A | -0.2581 | |
| 1365 | S | A | -0.6498 | |
| 1366 | S | A | -0.9639 | |
| 1367 | N | A | -1.2358 | |
| 1368 | S | A | -0.3712 | |
| 1369 | P | A | 0.4226 | |
| 1370 | L | A | 1.5543 | |
| 1371 | N | A | 0.8699 | |
| 1372 | V | A | 1.8397 | |
| 1373 | A | A | 0.9689 | |
| 1374 | S | A | 0.3146 | |
| 1375 | L | A | 1.0300 | |
| 1376 | Q | A | -1.3429 | |
| 1377 | E | A | -2.6566 | |
| 1378 | S | A | -2.4949 | |
| 1379 | N | A | -2.5173 | |
| 1380 | N | A | -2.2417 | |
| 1381 | K | A | -2.5131 | |
| 1382 | T | A | -1.2523 | |
| 1383 | S | A | -0.6211 | |
| 1384 | L | A | -0.4200 | |
| 1385 | G | A | -0.3443 | |
| 1386 | V | A | 0.0000 | |
| 1387 | K | A | -0.0974 | |
| 1388 | L | A | 0.9336 | |
| 1389 | L | A | 0.4359 | |
| 1390 | L | A | 0.0000 | |
| 1391 | S | A | 0.0032 | |
| 1392 | M | A | -0.3138 | |
| 1393 | D | A | -2.1899 | |
| 1394 | F | A | 0.0000 | |
| 1395 | D | A | -2.7131 | |
| 1396 | N | A | -2.3961 | |
| 1397 | L | A | -1.2345 | |
| 1398 | T | A | -0.4799 | |
| 1399 | R | A | -0.0983 | |
| 1400 | D | A | -0.2596 | |
| 1401 | R | A | -0.5770 | |
| 1402 | L | A | 0.1556 | |
| 1403 | L | A | -0.1833 | |
| 1404 | S | A | 0.0000 | |
| 1405 | L | A | 0.0699 | |
| 1406 | Q | A | -0.3954 | |
| 1407 | I | A | 0.0000 | |
| 1408 | L | A | 0.0000 | |
| 1409 | L | A | -0.6594 | |
| 1410 | Q | A | -1.2833 | |
| 1411 | F | A | 0.0000 | |
| 1412 | F | A | 0.0000 | |
| 1413 | E | A | -1.7704 | |
| 1414 | S | A | 0.0000 | |
| 1415 | C | A | 0.0000 | |
| 1416 | W | A | -0.6379 | |
| 1417 | T | A | -0.6962 | |
| 1418 | G | A | -0.6294 | |
| 1419 | V | A | -0.3349 | |
| 1420 | L | A | 0.0000 | |
| 1421 | L | A | -0.7050 | |
| 1422 | N | A | -1.4611 | |
| 1423 | K | A | -0.9470 | |
| 1424 | F | A | 0.0000 | |
| 1425 | H | A | -1.6568 | |
| 1426 | S | A | -1.3404 | |
| 1427 | R | A | -1.6637 | |
| 1428 | Q | A | -1.7097 | |
| 1429 | Y | A | 0.0000 | |
| 1430 | L | A | -0.5193 | |
| 1431 | F | A | 0.0000 | |
| 1432 | L | A | 0.0000 | |
| 1433 | S | A | -1.5479 | |
| 1434 | R | A | -3.0138 | |
| 1435 | D | A | -3.2854 | |
| 1436 | L | A | -2.0894 | |
| 1437 | V | A | 0.0000 | |
| 1438 | E | A | -3.3071 | |
| 1439 | D | A | -2.8377 | |
| 1440 | L | A | 0.0000 | |
| 1441 | S | A | -0.8683 | |
| 1442 | L | A | -0.0176 | |
| 1443 | R | A | -0.4445 | |
| 1444 | V | A | 0.4485 | |
| 1445 | W | A | 1.0376 | |
| 1446 | E | A | -0.1018 | |
| 1447 | Y | A | 0.2091 | |
| 1448 | V | A | 0.7961 | |
| 1449 | Y | A | 0.2169 | |
| 1450 | S | A | -1.1348 | |
| 1451 | H | A | -2.4719 | |
| 1452 | N | A | -3.0071 | |
| 1453 | H | A | -3.1789 | |
| 1454 | N | A | -3.4574 | |
| 1455 | E | A | -3.7815 | |
| 1456 | E | A | -3.3679 | |
| 1457 | S | A | -1.6055 | |
| 1458 | V | A | 0.1747 |
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 | -0.6737 | 4.8926 | View | CSV | PDB |
| 4.5 | -0.7426 | 4.897 | View | CSV | PDB |
| 5.0 | -0.8276 | 4.9101 | View | CSV | PDB |
| 5.5 | -0.913 | 4.9467 | View | CSV | PDB |
| 6.0 | -0.9822 | 5.0309 | View | CSV | PDB |
| 6.5 | -1.0233 | 5.1764 | View | CSV | PDB |
| 7.0 | -1.0364 | 5.3674 | View | CSV | PDB |
| 7.5 | -1.0306 | 5.5803 | View | CSV | PDB |
| 8.0 | -1.0138 | 5.801 | View | CSV | PDB |
| 8.5 | -0.9885 | 6.0237 | View | CSV | PDB |
| 9.0 | -0.9534 | 6.245 | 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