Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MHKFAILFSILLAIVAYHLNNEVAFEVARLFSGIFISLLKLISLPLVFLSIVSTISGLKDSIEIKTLVKKTLFYTLLTTIIAAFVALSFYLLIDPVRKNFISNTIESASNSNYNYFSYLKL-LIPSNFMQVFLKNNTIGSILIAFLMGRAIISLPKGKQDILHQVFSALFDT-------LLKIAQWLLKFIPLAVWSFITCFLHELKGGSEFYSLLWYFACIMSANSVQAFLILPLLMWCKGISPIQTLRGVMPALTLAFFSKSSSATLPTTIDCVQNKLKVPKKLSSFILPICTTINMNACATFILITVMFVAEMNGCTFSLSEIFIWIFLATGAAIGNAGVPMGCYFMATSYLVSMNVPL--------YIMGLILPIYTIIDMFETAINVWSDVCVTQIINKEYKGEI |
2NWL Chain:A ((46-414)) | ------------------------------FGDLFVRLLKMLVMPIVFASLVVGAASISPARLGRVGVKIVVYY-LLTSAFAVTLGIIMARLFNPGAGIHLAVGGQQF-----PPLVHILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAE-QGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAMLTAFVTRSSSGTLPVTMR-VAKEMGISEGIYSFTLPLGATINMDGTALYQGVCTFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLAMVLHSVGLPLTDPNVAAAYAM--ILGIDAILDMGRTMVNVTGDLTGTAIVAKTE---- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2NWL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -400002 for 3006 contacts (-133.1/contact) +
2D Compatibility (PS) -36383 + (NN) -16074 + (LL) 4008
1D Compatibility (HY) -28800 + (ID) 4850
Total energy: -482101.0 ( -160.38 by residue)
QMean score : 0.358
|
|
|