Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRKNKKNSKAAEKALKVTINGKEETVYEQETPETEANKSMTFSNWEEKRQAEQEVAASQEHPDEDEFNWDSEEDKVFKEDPKVVPPFQKKKTKLYAKGKTGAAKPVKRVAATIAFAAVIGTGLGLFALNISGNKEASAPASLEDSLGSQTAKAGDTSADKQTSGAEKQAAQTEGTYKTYAVQAGKFSNEKGAETLTEQLTEKGYSAVSLSK------DDGYTYVIAGLASEKEVSQQLGQVLIDSDFEAWGGKELSLSIESDMTDSFKETAELAAKAILDEDITKASVEKIEKSLGETKAS---ETGEKKAILQALKE--LEDPSAEAGWKAQQELLAVVK 3LEZ Chain:A ((20-166)) ----------------------------------------------------------------------------------------------------------------------------------------------------------AIDTGADKEISYRENERFAYTSTFKPLAV--GAVLQTKSDEELEETITYSEEDLVTYSPITEQHVDEGMTLVEIADAAIRYSDNTAGNLLL----EAMGGPD---ELETILRDIGDETIEM---------------DRYETELNEAKPGDIRDTSTAKAMATTLQQYVLED------------------

General information: TITO was launched using: RESULT: Template: 3LEZ.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 : 592 60214 101.71 442.75 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 101.71 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_3LEZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LEZ-query.scw PDB file : Tito_Scwrl_3LEZ.pdb: