Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVDMLDKETKQNLEQYLALIESPIVFSVSLDNSENSQKLAEFTKEIAEMSPKISWEKRDSM--RTPSFSINPVGKESGIVFAGIPLGHEFSSFLLAMLQISGRAPKISESLSLKIKKITQTLHFDSYVSLTCHNCPDVVQALNILAVLNPNITHTMIEGGMFQKEIDDKKIMAVPTVFLNGEEFSSGRMTIEQIVEKI-TGP--LIEEELFEKEPYDVLVIGGGPAASSAAIYAARKGIRTGLVADSFGGQVVETLGIENMIGTSYTEGPKLMQQVESHVRSYPIDIMMNQQAVSL---NKEQHFINIGLANGISLKAKTAIIATGAHWRSINVPGEKEFKNKGIAYCPHCDGPLFKGKEIAVIGGGNSGVEAAIDLAGLAKHVYVLEFLPELKADQILQDKLVSLANVTVIKHAATKEISGT-NQVESLSYIDRRTMEMHTLAVSGVFILVGLLPNTDWLDGTIEMNPRNEIVTEKNGATNIPGVFAAGDCTDSPYKQIIVSMGSGATAALGAFDYLMRT 4YKG Chain:A ((1-518)) ---MLDTNMKTQLKAYLEKLTKPVELIATLDDSAKSAEIKELLAEIAELSDKVTFKEDNSLPVRKPSFLITNPGSNQGPRFAGSPLGHEFTSLVLALLWTGGHPSKEAQSLLEQIRHIDGDFEFETYYSLSCHNCPDVVQALNLMSVLNPRIKHTAIDGGTFQNEITDRNVMGVPAVFVNGKEFGQGRMTLTEIVAKIDTGAEKRAAEELNKRDAYDVLIVGSGPAGAAAAIYSARKGIRTGLMGERFGGQILDTVDIENYISVPKTEGQKLAGALKVHVDEYDVDVIDSQSASKLIPAAVEGGLHQIETASGAVLKARSIIVATGAKWRNMNVPGEDQYRTKGVTY-PHCDGPLFKGKRVAVIGGGNSGVEAAIDLAGIVEHVTLLEFAPEMKADQVLQDKLRSLKNVDIILNAQTTEVKGDGSKVVGLEYRDRVSGDIHNIELAGIFVQIGLLPNTNWLEGAVERNRMGEIIIDAKCETNVKGVFAAGDCTTVPYKQIIIATGEGAKASLSAFDYLIRT

General information: TITO was launched using: RESULT: Template: 4YKG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2845 -21201 -7.45 -41.73 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -7.45 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.613

(partial model without unconserved sides chains): PDB file : Tito_4YKG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YKG-query.scw PDB file : Tito_Scwrl_4YKG.pdb: