Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MIELE------VVIRT------------VASF-GLLLI--------------AERILGKQT---ISQMTIFDF--------IAAITLGAIAA-----------G-LA-YNTSIKP--HN-MAISFS-------IFVLT-IF-L-I----------------------------SFLSIKNRKLRKFFAGDPTVLIQNGKILESNMRKM--RYTLDYLNQQLREKEIFNIEEVLFAILETNGQLTV-LRKPQFRHVTKQDLMIAVNQEQRLPIELIMDG----EIIENNLKQNRLTESWLLEELRKRDIKVKETVYAVLLGNGDIYVDQYKDHISVPMDKE 4YD8 Chain:A ((3-369)) LFKARDWWSTILGDKEEFDQGCLCLANVDNSGNGQDKIIVGSFMGYLRIFSPHPAKTGDGAQAEDLLLEVDLRDPVLQVEVGKFVSGTEMLHLAVLHSRKLCVYSVSGTLGNQCQMKLMYEHNLQRTACNMTYGSFGGVKGRDLICIQSMDGMLMVFEQESYAFGRFLPGFLLPGPLAYSSRTDSFLTVSSCQQVESYKYQVLAFATDADKLVVDWTLNIGEQALDICIVSFSASSVFVLGERNFFCLKDNGQIRFMKKLDW----SPSCFLPYCSVSEGTINTLIGNHNNMLHIYQDVTLKWATQLPHIPVAVRVGCLHDLKGVIVTLSDDGHLQCSYLGTDPSLFQAP-

General information: TITO was launched using: RESULT: Template: 4YD8.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 : 1025 -139552 -136.15 -606.75 target 2D structure prediction score : 0.25 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -136.15 2D Compatibility (Sec. Struct. Predict.) : 0.25 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.155

(partial model without unconserved sides chains): PDB file : Tito_4YD8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YD8-query.scw PDB file : Tito_Scwrl_4YD8.pdb: