Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRKGNLSMTTQLQHLTLPEDIQQKLLSYKEQPISPEFQSLIGTSGYEAEDEAILFDAIIALAMGKNVLLKGPTGSGKTKLAETLSSYF-HKPMHSVNCSVDLDAEALVGYKTIENQSGQATIEFVSGPVTKAMKEGHFLYIDEINMAKPE------TLPILNGVLDYRKMMTNPFTGEVIRAKSGFGVIAAINEG-YVGTVPLNEALKNRFVIIDVPYIKGELLKQVLMSQSALKDE----------------KLIDRFITLSSDLIVQANNGQVSEEAASIRALIDTCDLAAY----------------IPPRRAIERGIVEKLDDDREKAAVRNIAETLFE 4RH7 Chain:A ((1425-1746)) ---------------------------------------------------------------TKQPFILVGPEGCGKGMLLRYAFSQLRSTQIATVHCSAQTTSRHLLQKLSQTCMVISTNTGRVYRPKD---CERLVLYLKDINLPKLDKWGTSTLVAFLQQVLTYQG-FYDEN--LEWVGLENIQIVASMSAGGRLGRHKLTTRFTSIVRLCSIDYPEREQLQTIYGAYLEPVLHKNLKNHSIWGSSSKIYLLAGSMVQVYEQVRAKFTVDDYSHYFFTPCILTQWVLGLFRYDLEGGSSNHPLDYVLEIVAYEARRLFRDKIVGAKELHLFDIILTSV--

General information: TITO was launched using: RESULT: Template: 4RH7.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 : 896 -16960 -18.93 -72.79 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -18.93 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_4RH7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RH7-query.scw PDB file : Tito_Scwrl_4RH7.pdb: