Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIHLFFRNNKKSKMHLKLNNYLISGEYMNIPRFGLGTFRLKEQAVIDSVKNALDVGYRAIDTAQIYENEAAIGQAIAESGVSRQDLFLTTKIWVDNFAQDKFIPSLKESLQKLRTDHVDLTLIHWPAPDLGVSIPEIMQLLLEAKQQGLTKQIGISNFNIALTQQAIDTIGVEHIATNQIELSPYLQNHKLVNFLQEKNIDVTSYMTLAYGKVLQDPVLAEIAAANKATTAQIALAWALQRGFAVIPSSTKRE-NLISNLKAQDIELTAAEMQMIAELDR-NSREVSPEPWAPVWD 3UP8 Chain:A ((18-297)) --------------LYFQSMMHAVSSNGANIPALGFGTFRMSGAEVLRILPQALKLGFRHVDTAQIYGNEAEVGEAIQKSGIPRADVFLTTKVWVDNYRHDAFIASVDESLRKLRTDHVDLLLLHWPGSD--VPMAERIGALNEVRNAGKVRHIGISNFNTTQMEEAA-RLSDAPIATNQVEYHPYLDQTKVLQTARRLGMSLTSYYAMANGKVPADPLLTEIGGRHGKTAAQVALRWLVQQQDVIVLSKTATEARLKENFAIFDFALTREEMAAVRELARPNGRIVNPQGLAPEWD

General information: TITO was launched using: RESULT: Template: 3UP8.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 : 1563 -119731 -76.60 -430.69 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -76.60 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.503

(partial model without unconserved sides chains): PDB file : Tito_3UP8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UP8-query.scw PDB file : Tito_Scwrl_3UP8.pdb: