Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHVLIAVILFFLSIGLSAGCAEAGNKTQNQSATEVNASPLQPAEYFIYHNLMNDKGLIKTDFSDQPSYLSESLGLWMEFLLSKNDAPHFQDQYQHLTDSFLM-S--NHLVTWKIQN--G----QASGTNALIDDMRIMLSLDQAAAKWGRSDYAQTARDIGTSLKTYNMNN---GFFT---DFYDSQ--AASKDVTLSYVMPDALAVLKKNG--IIDEETEQRNANVLYSAPLKNGFLPKTYSSET----------KEYTYDSEINLIDQLYAAWHLPEGDE-------KASVLADWIKQEFQKNGKLYGRYSAYTKEPAVQYESPSVYALAVLFLTKQHENSSVIKAIYDRMNDFEIHDPVKSYYGGYMSGTQTHSFDNLLPLLAERKLFNENIIQ 5CD2 Chain:A ((25-352)) ---------------------------------------EWGQWESFKQHYIE-NGRVVDNSDPR-LITTSEGQSYALFFALIANDKKTFDELLGWTELHLAGGDLTAQLPAWLWGTQPDGSQGILDSNSAADSDLWIAYSLLEAGRLWDNHYYQSLGHLLASRILRDETIKVSGLGTVLLPGKVGFVLGKNHVRLNPSYVPLQLLTRMNTVFPSYQWEEIYQSSAKLLKETM-PKGYSPDWVEWDKTQFKKDSKAQSVGSY-------NAIRVYLWAGMLPDSDPNKALLLGKMKPLL-RVIERNKGMPETINVLTGKGK-NQGGVGMNAAILPLLSSL-DSNTNVAEYEKKIQAELPK------------IESDYYYNSVLTLFGLGWYQ------

General information: TITO was launched using: RESULT: Template: 5CD2.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 : 1548 -116347 -75.16 -398.45 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -75.16 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_5CD2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CD2-query.scw PDB file : Tito_Scwrl_5CD2.pdb: