Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSWKNWLIKINYCVYKKKRKGRMRKFLIILLLPSFLTISKVVSTEKEVVYTSKEIYYLSQSDFGIYFREKLSSPMVYGEVPVYANEDLVVESGKLTPKTSFQITEWRLNKQGIPVFKLSNHQFIAADKRFLYDQSEVTPTIKKVWLESDFKLYNSPYDLKEVKSSLSAYSQVSIDKTMFVEGREFLHIDQAGWVAKESTSEEDNRMSKVQEMLSEKYQKDSFSIYVKQLTTGKEAGINQDEKMYAASVLKLSYLYYTQEKINEGLYQLDTTVKYVSAVNDFPGSYKPEGSGSLPKKEDNKEYSLKDLITKVSKESDNVAHNLLGYYIS-NQSDATFKSKMSAIMGDDW------------DPKEKLISSKMAGKFMEAIYNQN-------GFVLESLTKTDFDSQRIAKGVS--VKVAHKIGDA-DEFKHDTGVVYAD---SPFILSIFTKNSDY------DTISKIAKDVYEVLK 3LEZ Chain:A ((3-259)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EDLKKLEEEF--DVRLGVYAIDTGADKEISYRENERFAYTSTFKPLAVGAVLQTKSDE--ELEETITYSEED-------LVTYSPITEQ-HVDEGMTLVEIADAAIRYSDNTAGNLLLEAMGGPDELETILRDIG-DETIEMDRYETELNEAKPGDIRDTSTAKAMATTLQQYVLEDVLDADRREVLTNMLINNTTGDALIRAGVPDGWTVGDKTGAGGYGTRNDIGIIWPEGDEEPIVIAIMSSRDEEDADYDDKLIEKATEIVLQELR

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 : 1179 16234 13.77 72.15 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 13.77 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.454

(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: