Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVLKSDGYSSDHIRLNRFVFWSSAVSIGIFGLLFVLFPEKSQFWLTYVQEQVNHFFGWYYMLVIVLCLGFVAWLAFSRVGQIPLGKDHDK---PEFGYLAWTSMLFSAGIGIALLYYGVAEPVDHFLRPPEGEAGTIQAARNAMTYSFLHWGIHGW-VLYAL--LGVTLGYFAFRQDLPLALRSALYPIFGERVHGLVGDFVDGFGILATVISLVTNLGIGALVLVLGICYLIPDNSATLITAVLIMMFVA------TVTTVVGIEKG-LAWLSRINLRLLYALLLFVFLTGPTNHLLNGLVQNTGDYLNNFMGKSFDMYLYNQKASGWLGS---WTVFYWAWWIAWAPFVGMFIARISKGRTIREVVLGVCLIPLGFTLAWISIFGNTAIHLILNQKQKVLGDMVLSDPALSLFKLLEYLPFNPYIAGIVVVICFVLFLTPVGSGTLMIANLSSKGGTSDSDSPIWLRIFW-----SVVITIVSIGLLLAGSFNSMQSAVVLCGLPFSVIILLYMFGLAKALKQDDFDPNVAKKQLAISKDISIPSNCDQNKVTEVL 4YB8 Chain:A ((1-464)) --------MND---LERLFNPSAIAVVGAS-------KDPSKIGSQILRNLLSYGFKGKVYPINPTADELMGLKCYPKVSDVPDKVDVAVISVPSDKVLGVIDDCGKAGVKFAVVITSGFKEVGN-------EELEEELVRRAHSYGMRVLGPNIFGYLYAPARLNATFG--------PKDVLSGNVAFISQ---------SGALGIALMGYTVVENIGISSIVSV--------GNKADLDDVDLLDFFDKDPNTGVIMIYLEGIAPGRGRMFIDVASRVSLRKPIIVIKAGRTEVGARAAASHTGSI-----AGSVAIYESAFKQSGILMAKSVEDAFDWTKALSWNP--------IPEGERLIVLTNG-----GGAGVQSTDTFADNGIYL--------------SKPPESLIQEIK--KFVPPFAS------FANPIDITGMAPDDWYYMGTLAALKNPDVDALTVLYCQTAVTTPIGVAKGIVDAIKEAGNSKPVTVGMVGGPEVAEAVSFLNKQRIAAYPT---PERASSAMSALYAYARARSYVMKSLAVR-

General information: TITO was launched using: RESULT: Template: 4YB8.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 : 2663 -185222 -69.55 -418.11 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -69.55 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.296

(partial model without unconserved sides chains): PDB file : Tito_4YB8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YB8-query.scw PDB file : Tito_Scwrl_4YB8.pdb: