Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLPLSQY--IFPDPEESDPDGHGLICIGADLSPSTLYEAYTHGLFPWFNEDEPICWWNPEPRCIIYPQNYKPSKSLIRNMKKYDYTITVNRAFEQVIRSCSLPRSYANETWISEDIIEGYCGMFDAGYGYSVEVWQEEQLVGGLYGVTIGKGCFGESMFSTQTDVSKMAFYTLM--LIGQENQLPWVDCQLVNSHLISLGACTLSRQEYLKSLQDVIIHPSINWKKYQERVFSSKTIALNAKLME 2DPS Chain:A ((3-214)) --LVQLSRHSIAFPSPEGALREPNGLLALGGDLSPARLLMAYQRGIFPWFSPGDPILWWSPDPRAVLWPESLHISRSMKRFHKRSPYRVTMNYAFGQVIEGCASDRE----TWITRGVVEAYHRLHELGHAHSIEVWREDELVGGMYGVAQGTLFCGESMFSRMENASKTALLVFCEEFIGHGGKL--IDCQVLNDHTASLGACEIPRRDYLNYLNQM-----------------------------

General information: TITO was launched using: RESULT: Template: 2DPS.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 : 1060 -8467 -7.99 -41.10 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -7.99 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.538

(partial model without unconserved sides chains): PDB file : Tito_2DPS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DPS-query.scw PDB file : Tito_Scwrl_2DPS.pdb: