Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINLGIIGTNWITHQF-VQAALSTKKYELTAVYSRHLEKAQEFGSHYEGDIEFATDLKTFFNITHMDTIYIASPNSLHFSQAKQAILAGKNVIVEKPAFSTPKEMDEIIHLANEHNVYFFEAARNIHESGFKKIADYLP--LKDEIIGANFSYMKYSSRYDQVLDGEEPNIFSTH-FSGGALMDLGVYLVYAAVAWFGM-PKEVHYFPRKI---STGVDGLGWGILRYENF-DVSIQPGKIGD-SYLPSEIYFDSGTLVMNGVNAI---EQAQFHDRAHKEIIDLAVTAAENPMADEAEDFANVMAHPKDPAWGLLYEEWIELARNVNQVIYDLRKNGGIKFDADNEEDF 4KOA Chain:A ((1-333)) MIRWGLIGASTIAREWVIGAIRA-AGGEVVSVMSSSAERGEAYAAENGI-AKAVTSVDDLVGDPDVDAVYISTTNELHHGQALAAIRAGKHVLCEKPLAMNLNDGCEMVLKACEAGVVLGTNHHLRNAATHRAMREAIAAGRIGRPIAARVFHAVYLPP------HLQGWRLDKPEAGGGVILDITVHDADTLRFVLNDDPIEAVAISHSAGMGKEGLEDGVMGVLRFRSGVIAQFHDAFTTKFAETGLEVHGTAGSLIGRNVMTQRPVGTVVLRNEEG--ESEL-PLDHRNLYETAIAAFHSAIGGNG------RPSASGEDGVWSLATGLAVVKAAATGGAVEIETGL

General information: TITO was launched using: RESULT: Template: 4KOA.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 : 1856 -37000 -19.94 -115.63 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -19.94 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.398

(partial model without unconserved sides chains): PDB file : Tito_4KOA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KOA-query.scw PDB file : Tito_Scwrl_4KOA.pdb: