Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKTVKDIDLKDKKVLVRVDFNVPLKDGVITDDTRIKAALPTINYVLEQGGKAI-LFSHLGRVKTEEDKEGKSLAPVAKRLGELLGKEVTFVPETRGEQLEEAIRNMNDGDVVVFENTRFE--------DIDGKKESKNDTELGKYWASL---GDVFVNDAFGTAHRAHASNVGIASTGIPTVA-GFLMEKEIKFIGEAVEEPKRPMIAILGGAKVSDKIGVIENLIPKADKILIGGGMTYTFY-EAKGIKIGNSLVEADKVELAKELIEKA---GDKLVLPIDNVCAPEFSND--VETQVIEGDIPDGLMALDIGPASVKLFADTLQGAKTVVWNGPMGVFEMSNFAKGTIGVCEAI--ANLEGATTIIGGGDSAAAAEQLGFADKFTHISTGGGASLELLEGKELPGLAAINDK 2PAA Chain:A ((4-415)) -AKLTLDKVDLKGKRVIMRVDFNVPMKNNQITNNQRIKAAIPSIKHCLDNGAKSVVLMSHLGRPDGIPMPDKYSLEPVADELKSLLNKDVIFLKDCVGPEVEQACANPDNGSIILLENLRFHVEEEGKGKDSSGKKISADPAKVEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGV---NLPQKASGFLMKKELDYFSKALEKPERPFLAILGGAKVKDKIQLIKNMLDKVNFMIIGGGMAYTFLKELKNMQIGASLFDEEGATIVKEIMEKAEKNGVKIVFPVDFVTGDKFDENAKVGQATIESGIPSGWMGLDCGPESIKINAQIVAQAKLIVWNGPIGVFEWDAFAKGTKALMDEVVKATSNGCVTIIGGGDTATCCAKWGTEDKVSHVSTGGGASLELLEGKILPGVEALSN-

General information: TITO was launched using: RESULT: Template: 2PAA.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 : 2252 22662 10.06 57.96 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : 10.06 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.666

(partial model without unconserved sides chains): PDB file : Tito_2PAA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PAA-query.scw PDB file : Tito_Scwrl_2PAA.pdb: