Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKTVKDIDLKDKKVLVRVDFNVPLKDGVITDDTRIKAALPTINYVLEQGGK-AILFSHLGRVKTEEDKEGKSLAPVAKRLGELLGKEVTFVPETRGEQLEEAIRNMNDGDVVVFENTRFEDIDGKKESK----N----------DTELGKYWASLGDVFVNDAFGTAHRAHASNVGIASTGIP-TVAGFLMEKEIKFIGEAVEEPKRPMIAILGGAKVSDKIGVIENLIPKADKILIGGGMTYTFYEAKG-IKIGNSLVEADKVELAKELIEKAG---DKLVLPIDNVCAPEFSNDVETQVIE--GDIPDGLMALDIGPASVKLFADTLQGAKTVVWNGPMGVFEMSNFAKGTIGVCEAIANL--EGATTIIGGGDSAAAAEQLGFADKFTHISTGGGASLELLEGKELPGLAAINDK 3PGK Chain:A ((5-415)) -SKLSVQDLDLKDKRVFIRVDFNVPLDGKKITSNQRIVAALPTIKYVLEHHPRYVVLASHLGRPNGERNE-KYSLAPVAKELQSLLGKDVTFLNDCVGPEVEAAVKASAPGSVILLENLRYH----IEEEGSRKVDGQKVKASKEDVQKFRHELSSLADVYINDAFGTAHRAHSSMVGFD---LPQRAAGFLLEKELKYFGKALENPTRPFLAILGGAKVADKIQLIDNLLDKVDSIIIGGGMAFTFKKVLENTEIGDSIFDKAVGPEIAKLMEKAKAKGVEVVLPVDFIIADAFSASANTKTVTDKEGIPAGWQGLDNGPESRKLFAATVAKATVILWNGPPGVFEFEKFAAGTKALLDEVVKSSAAGNTVIIGGGDTATVAKKYGVTDKISHVSTGGGASLELLEGKELPGVAFLSEK

General information: TITO was launched using: RESULT: Template: 3PGK.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 : 2058 21802 10.59 56.33 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : 10.59 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_3PGK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PGK-query.scw PDB file : Tito_Scwrl_3PGK.pdb: