Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLQQLAIKHPIFLAPMAGVSTPELAAEVSNQGGLGSLGLGANTPQSAREQILKTQALTENPFQVNFFCHQSTELNVEKAKQWLEYLRPHFEKFGAQPPQELHCIYPSFLDNDDFLNVVLETKPKTVSFHFGIPHPHQIKALKEAGILTMVSATNLIEAQAIEAAGIDIIIAQGIEAGGHRGIFNQTFDGAIKTSDLVQLIVQHCTLPVVAAGGIMTGLQAKHMLGLGAAAVQLGTAFVQCQTSNASAEYRKALFSK--PVTQISASLSGRPARGILNHWHIKIDSPTRPVQPEYPYAYDLAKQLNALATKHQDYGFGAFWAGSNVAQIRELEAP-DLVNQLVVEMLDNE 5GVJ Chain:B ((5-303)) TRVTDLLEIEHPILMGGMAWAGTPTLAAAVSEAGGLGIIGSGAMKPDDLRKAISELRQKTDKPFGVNIILVSPW--------------------------------------ADDLVKVCIEEKVPVVTFGAGNP-TKYIRELKENGTKVIPVVASDSLARMVERAGADAVIAEGMESGGHIGE--------VTTFVLVNKVSRSVNIPVIAAGGIADGRGMAAAFALGAEAVQMGTRFVASVESDVHPVYKEKIVKASIRDTVVTGA---HPARVLRTPFARKIQ------------EEMLVGSLRRAVV-EGDLERGSFAVGQSAGLIDEIKPVKQIIEDILKEFKE--

General information: TITO was launched using: RESULT: Template: 5GVJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1846 -152983 -82.87 -540.58 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -82.87 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_5GVJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GVJ-query.scw PDB file : Tito_Scwrl_5GVJ.pdb: