Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAVILCGGKGTRMSEVTNDIPKPLAMIG-GKPILWHIMKIYQYYGVNEFILLLGYKGEKIKEYFLDYEWKHNSLTLDSSTGEVQMLGQPETW-KITF--LE-----TGVDTLTAGRILQAKDYIG---DETFLLTYGDGLANINLFHLISYHQTKGAAATVTGID----KVSQFGTLTVE-DGMAKTFSEKTSS-----------------------DGIINGGFFVLSPKVF-DYLPKDG--NTMFEDEPLKNLAKDG-ELAVYRHYGFWTAIDTYKNLLEVNKMWNQGQQVWKVW 1YP2 Chain:A ((21-298)) VLGIIL------RLYPLTKKRAKPAVPLGANYRLIDIPVSNCLNSNISKIYVLTQFNSASLNRHLSRAY----A------------------EGFVEVLAAQQSPENPDWFQGTADAVRQYLWLFEEHTVLEYLILAGDHLYRMDYEKFIQAHRETDADITVAALPMDEKRATAFGLMKIDEEGRIIEFAEKPQGEQLQAMKVDTTILGLDDKRAKEMPFIASMGIYVISKDVMLNLLRDKFPGANDFGSEVIPGATSLGMRVQAYLYDGYWEDIGTIEAFYNANLGITKKP------

General information: TITO was launched using: RESULT: Template: 1YP2.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 : 1128 -182695 -161.96 -830.43 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -161.96 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.418

(partial model without unconserved sides chains): PDB file : Tito_1YP2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YP2-query.scw PDB file : Tito_Scwrl_1YP2.pdb: