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:B ((4-415)) -AKLTLDKVDLKGKRVIMRVDFNVPMKNNQITNNQRIKAAIPSIKHCLDNGAKSVVLMSHLGRPDGIPMPDKYSLEPVADELKSLLNKDVIFLKDCVGPEVEQACANPDNGSIILLENLRFHVEEEGKGKDSSGKKISADPAKVEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGV---NLPQKASGFLMKKELDYFSKALEKPERPFLAILGGAKVKDKIQLIKNMLDKVNFMIIGGGMAYTFLKELKNMQIGASLFDEEGATIVKEIMEKAEKNGVKIVFPVDFVTGDKFDENAKVGQATIESGIPSGWMGLDCGPESIKINAQIVAQAKLIVWNGPIGVFEWDAFAKGTKALMDEVVKATSNGCVTIIG---------------KVSHVSTGGGASLELLEGKILPGVEALSN-

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 B - contact count / total energy / energy per contact / energy per residue : 2114 33681 15.93 89.58 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : 15.93 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.628

(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: