Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAIEKRNSLFNSLTQAVFDKNMANFWLQKINPLWSVQHGLVQIVKKEFVAHDTVSLTLKCN--RLVKMGAAGQHHPVIVEIAG-----------------------------RRYERTYSLTQIDA--EHLRLTVKK---------VADGIVSNWFIAESKIGDVFELGQPYGDMQQNIQTPKLIMLAAGSGITPMLSLITAIKQSQQLEKTQVQLLYWVKQRSDAAFTEYFEQVAEQNPNFSYQVFYTQETP------NDERLNAEHLALV----DGIENSTVYACGPSGFISTVEQLFEKAP----TVLTEAFSLINESSADDIGYVNVTLTQSNKVIAIPKGQSILVSLEHEGLKPTHGCRMGICNKCVCSKTQGSTRNLLNGSQNTEPSQLLKICVNSAQSDLVIDL 4P6V Chain:F ((132-408)) --------------------------------------KWECTVISNDNKATFIKELKLAIPDGESV-PFRAGGYIQIEAPAHHVKYADFDVPEKYRGDWDKFNLFRYESKVDEPIIRAYSMANYPEEFGIIMLNVRIATPPPNNPNVPPGQMSSYIW-SLKAGDKCTISGPFGEFFAKDTDAEMVFIGGGAGMAPMRSHIFDQLKRL-KSKRKMSYWYGARSKREMFYVEDFDGLAAENDNFVWHCALSDPQPEDNWTGYTGFIHNVLYENYLKDHEAPEDCEYYMCGPPMMNAAVINMLKNLGVEEENILLDDFGG----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4P6V.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1106 6297 5.69 28.49 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain F : 0.63 3D Compatibility (PKB) : 5.69 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_4P6V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P6V-query.scw PDB file : Tito_Scwrl_4P6V.pdb: