Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRIARIAVATYMGLAVNMGLAVNAVQAATTFLNVSYDPTR---EFYQEYNQAFGKFWKQRTGQDVDFKQSHGGS-GKQARAVA---TGLEADVVTLALANDIDEIVKAGFIQP--NWQ--KEFP------NNSAPYTSTVVFLVRKGNPK-NIRDWNDLTKPGV--EIITPNPKTGGAPRWIYLSAWGYALKQPGGNDAKAKELVKKLYHNVNVLDLGARGSLTTFAERGIGDVLLSWENEALL-ATKGLDKDKYEIVYPSIS-ILAEPSVAIVDKTVDKDGNRTLAKGYLNFLYSPLGQELAAK-HYFRPRNPQVAAKYAAQF-PKIKLF-----TINDVFGGWAKAQKTHFANGAIFDQIYDGKQ 2QRY Chain:D ((21-329)) ---------------------------MKPVLTVYTYDSFAADWGPGPVVKKAFEAD----CNCELKLVAL--EDGVSLLNRLRMEGKNSKADVVLGLDNNLLDAASKTGLFAKSGVAADAVNVPGGWNNDTFVPFDYGYFAFVYDKNKLKNPPQSLKELVESDQNWRVIYQDPRTSTPGL-GLL---LWMQKVYG---DDAPQAWQKLAKKTVTVTKGWS-EAYGLFLKGESDLVLSYTTSPAYHILEEKK-DNYAAANFSEGHYLQVEVAARTAAS----KQPELAQKFLQFMVSPAFQNAIPTGNWMYPVANVTLPAGFEKLTKPATTLEFTPAEVAAQRQAWISEWQRAVS-------------

General information: TITO was launched using: RESULT: Template: 2QRY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1609 72437 45.02 258.70 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain D : 0.65 3D Compatibility (PKB) : 45.02 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.435

(partial model without unconserved sides chains): PDB file : Tito_2QRY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QRY-query.scw PDB file : Tito_Scwrl_2QRY.pdb: