Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKTVKDIDLKDKKVLVRVDFNVPLKDGVITDDTRIKAALPTINYVLEQGGKAI-LFSHLGRVKTEEDKEGKSLAPVAKRLGELLGKEVTFVPETRGEQLEEAIRNMNDGDVVVFENTRF--------EDIDGKKESKNDTELGKYWASL---GDVFVNDAFGTAHRAHASNVGIASTGIPTVAG-FLMEKEIKFIGEAVEEPKRPMIAILGGAKVSDKIGVIENLIPKADKILIGGGMTYTFYEA-KGIKIGNSLVEADKVELAKELIEKA---GDKLVLPIDNVCAPEFSNDVET--QVIEGDIPDGLMALDIGPASVKLFADTLQGAKTVVWNGPMGVFEMSNFAKGTIGVCEAI--ANLEGATTIIGGGDSAAAAEQLGFADKFTHISTGGGASLELLEGKELPGLAAINDK 3C3A Chain:B ((9-419)) --KLTLDKLDVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFCLDNGAKSVVLMSHLGRPDGVPMPDKYSLEPVAVELKSLLGKDVLFLKDCV-----KACANPAAGSVILLENLRFHVEEEGKGKDASGNKVKAEPAKIEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGV---NLPQKAGGFLMKKELNYFAKALESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEEGAKIVKDLMSKAEKNGVKITLPVDFVTADKFDENAKTGQATVASGIPAGWMGLDCGPESSKKYAEAVTRAKQIVWNGPVGVFEWEAFARGTKALMDEVVKATSRGCITIIGG------------EDKVSHVSTGGGASLELLEGKVLPGVDALSN-

General information: TITO was launched using: RESULT: Template: 3C3A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2163 15648 7.23 41.95 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : 7.23 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.617

(partial model without unconserved sides chains): PDB file : Tito_3C3A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C3A-query.scw PDB file : Tito_Scwrl_3C3A.pdb: