Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVIPLFIIAAGLVIAGYGGFKLIDTNTKTEQTLKEAKLAAKKPQEASGTKNSTDQAKNKASFKPETGQASGILEIPKINAELPIVEGTDADDLEKGVGHYKDSYYP--DENGQIVLSGHRD----TVFRRTGELEKGDQLRLLLSYGEFTYEIVKTKIVDKDDTSIITLQHEKEELILTTCYPFSYVGNAPKRYIIYGKRVT 4G1J Chain:A ((109-243)) ------------------------------------------------------------------EVKEQIGHVIIPRINQDIPIYAGSAEENLQRGVGHLEGTSLPVGGESTHAVLTAHRGLPTAKLFTNLDKVTVGDRFYIEHIGGKIAYQVDQIKVIAPDQLEDLYVIQGEDHVTLLTCTPYM---INSHRLLVRGKRIP

General information: TITO was launched using: RESULT: Template: 4G1J.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 : 660 -73659 -111.60 -571.00 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -111.60 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_4G1J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G1J-query.scw PDB file : Tito_Scwrl_4G1J.pdb: