Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTHVHFPWYLHSIRKQRRNTCNILQNLVSNSKTSLQNAPVLYLRFLASYRVSSETTASEAICLPTIAEIEAATELISAPDASAKVVRVN-----ERFAVKMGYG----IPLIEAENMKFLAANSKVPVPKVHAAFRDPDTNKTYIIMEYLPGHTLEKLLPSLDPVEKATISNLIKDAITELRKGLDPKISGPFAN---QGDMNLAIIEKIRQ---TE----SDQYIRLLRNMIDRTLNSHRSVFTHGDLQPKNIMVERFGDRNVCPQFRISLLDWESAGWYPELWDFCNATIACRFKPDWLELVPDILEQYPVEFLMMQVVYSSVFY 4GKI Chain:C ((35-255)) -------------------------------------------------------------------------------GQSGATIYRLYGKPNAPELFLKHGKGSVANDVTDEMVRLNWLTA--FMPLPTIKHFIRT--PDDAWLLTTAIPGKTAFQVLEEYP-DSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDFSLDNLIFDEGK--------LIGCIDVGRVGIADRYQDLAILWNCLGE--FSPSLQKRLFQKYGID-------------

General information: TITO was launched using: RESULT: Template: 4GKI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 793 -4750 -5.99 -23.51 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain C : 0.63 3D Compatibility (PKB) : -5.99 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.239

(partial model without unconserved sides chains): PDB file : Tito_4GKI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4gki-query.scw PDB file : Tito_Scwrl_4GKI.pdb: