Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLPLSQYIFPDPEESDPDGHGLICIGADLSPSTLYEAYTHGLFPWFNEDEPICWWNPEPRCIIYPQN------Y--KPSKSLIRNMK---KYDYTITVNR---AFEQVIRSCSLPRSYANETWISEDIIEGYCGMFD---AGYGYSVEVWQEEQLVGGLYGVTIGKGCFGESMFST---QTDVSKMAFYTLMLIGQENQLPWVDCQLVN---------SHLISLGACTLSRQEYLKSLQDVIIHPSINWKKYQERVFSSKTIALNAKLME 1P4N Chain:A ((145-312)) -----------------------------------------------------------RLNMVLDLTKFPDAKTTLDLYPSKTKSKIKRPFRDGVEVHSGNSATELDEFFKTYTTMAERHGI---THRPIEYFQRMQAAFDADTMRIFVAEREGKLLSTGIALKYGRKIWYMYAGSMDGNTYYAPYAVQSEMIQWALDTNTDLYDLGGIESESTDDSLYVFKHVFVKDA------------------------------------------

General information: TITO was launched using: RESULT: Template: 1P4N.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 : 596 -27745 -46.55 -199.60 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -46.55 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_1P4N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1P4N-query.scw PDB file : Tito_Scwrl_1P4N.pdb: