Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYRVAVLGPGSWGTALAQVLAENGHDVRIWGHRASQVEEINTQHTNQRYLPDHCLPDSIQAFTNMEDAVKDADAVLFVIPTKAIRSVAKELVPKLNTKPVIIHASKGLEQGTHKRISDILLEEIPVEKRKAVVVLSGPSHAEEVAKHDITTITAASTDAKAAKYVQELFMNNYFRIYTNPDVIGVEMGAALKNIIAIGAGAIHGLGFGDNAKAAIMTRGLAEISRLGVAMGANPLTFIGLSGVGDLVVTCTSVHSRNWR-AGNLLGQGQPLEEVLANMGMVVEGVNTTQAAMELAQIMEIEMPITQTIYEVLYEQKEIKTAAKEIMLRDGKKENEFSLTIF 3K96 Chain:B ((28-351)) FKHPIAILGAGSWGTALALVLARKGQKVRLWSYESDHVDEMQAEGVNNRYLPNYPFPETLKAYCDLKASLEGVTDILIVVPSFAFHEVITRMKPLIDAKTRIAWGTKGLAKGS-RLLHEVVATELG---QVPMAVISGPSLATEVAANLPTAVSLASNNSQFSKDLIERLHGQRFRVYKNDDMIGVELCGSVKNILAIATGISDGLKLGSNARAALITRGLTEMGRLVSVFGGKQETLTGLAGLGDLVLTCTDNQSRNRRFGLA-LGEGVDKKEAQQAIGQAIEGLYNTDQVHALAQKHAIEMPLTFQVHRILHEDLDPQQAVQELLER-------------

General information: TITO was launched using: RESULT: Template: 3K96.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 : 1926 -167080 -86.75 -517.27 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -86.75 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.589

(partial model without unconserved sides chains): PDB file : Tito_3K96.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K96-query.scw PDB file : Tito_Scwrl_3K96.pdb: