Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTSKFNQFVRDIYQTNNFIPLHEPRFLGNEKKYVLDTIDSTFVSSVGAYVNDFESKIQHFTGCAKAIATVNGTAALHIALLLAGVKRDDIVITQALTFVATCNALSYIGAEPLFIDVSLKTMGLCPKALDTYLQENAFLDDQGVCKHTATNKRISAIVPMHTFGHPVEIDELQEVVTRWNIALVEDAAESLGSYYKGKHTGIFGLVSALSFNGNKVITTG-GGGMVLCQDEELGVRAKHITTTAKIPHPYEFYHDENGFNYRLPNLNAALGCAQMESLEGFLSKKRDLAHQYQNFFKDT-D---ISFFVEPENCQSNYWLNAIICKNKTQRDLILDETNSNKVMTRPIWTLMTRLPMYENAL--QGDLTNSLWLEERVVNIPSSVPLE 4ZAH Chain:B ((20-379)) -----------------HMIPFNAPPVVGTELDYMQSAMGSGKLCGDGGFTRRCQQWLEQRFGSAKVLLTPSCTASLEMAALLLDIQPGDEVIMPSYTFVSTANAFVLRGAKIVFVDVRPDTMNIDETLIEAAITD-----------------KTRVIVPVHYAGVACEMDTIMALAKKHNLFVVEDAAQGVMSTYKGRALGTIGHIGCFSFHETKNYTAGGEGGATLINDKALIERAEIIREKGTNRSQ-KYTWRDIGSSYLMSDLQAAYLWAQLEAADRINQQRLALWQNYYDALAPLAKAGRIELPSIPDGCVQNAHMFYIKLRDIDDRSALINFLKEAEIMAVFHYIPLHGCPAGEHFGEFHGEDRYTTKESERLLRLPLFYNL-

General information: TITO was launched using: RESULT: Template: 4ZAH.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 : 2039 -176018 -86.33 -508.72 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -86.33 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_4ZAH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZAH-query.scw PDB file : Tito_Scwrl_4ZAH.pdb: