Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAIPAIQPYQMPTASDMPQNKVSWVPDPNRAVLLIHDMQNYFVDAFTAGASPVTELSANIRKLKNQCVQLGIPVVYTAQPGSQNPDDRALLTDFWGPGLNSGPYEEKIITELAPEDDDLVLTKWRYSAFKRTNLLEMMRKEGRDQLIITGIYAHIGCLVTACEAFMEDIKAFFVGDAVADFSLEKHQMALEYAAGRCAFTVMTDSLLDQLQNAPADVQKTSANTGKKNVFTCENIRKQIAELLQETPEDITDQEDLLDRGLDSVRIMTLVEQWRREGAEVTFVELAERPTIEEWQKLLTTRSQQVLPNADYL 3TB4 Chain:A ((3-193)) --IPKIASYPLPVS--LPTNKVDWRIDASRAVLLIHDMQEYFVHYFDSQAEPIPSLIKHIQQLKAHAKQAGIPVVYTAQPANQDPAERALLSDFWGPGLSE---ETAIIAPLAPESGDVQLTKWRYSAFKKSPLLDWLRETGRDQLIITGVYAHIGILSTALDAFMFDIQPFVIGDGVADFSLSDHEFSLRYISGRTG------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TB4.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 : 941 -120489 -128.04 -630.83 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -128.04 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_3TB4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TB4-query.scw PDB file : Tito_Scwrl_3TB4.pdb: