Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLGARIFKTGIAITLALYLASWIGLPAPIFAGIAAIFAIQPSIYRSFLIIIDQVQANIIGAVIATVFGLIFGPSPIMIGLTAVIVITIMLKLKIEHTISIALVTVIAILESAGDDFLMFALIRTSTVILGVLSSFIVNLVFLPPKYETKLIHNTVENTEEIMKWIRLSMRQSTEHSILKEDIEKLKEKMIKLDQTYLLYKEERSYFKKTTYVKSRKLVLFRQAIITANRALDTLKKLH-----RLENEIYHMPEEFQETLTEELDYLLYWHERI----LMRFVGKIKPHDDAVEEGIRYKQLLTKSFLKNQQNTDEELIDYNMLNIMASAVEYREQLEHLETLITSFQTYHPKDCEIETEE 4EKU Chain:A ((109-170)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MTVGEVQDKYECLHVEAEWRYDLQIRYLPEDFMESLKEDRTTLLYFYQQLRNDYMQRYASKV---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4EKU.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 : 56 -5164 -92.21 -97.42 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.49 3D Compatibility (PKB) : -92.21 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.49 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_4EKU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EKU-query.scw PDB file : Tito_Scwrl_4EKU.pdb: