Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIFIEYKIITLFISLKIKKGVFIMKNWKKYAFASASVVALAAGLAACGNLTGNSKKAADSGDKPVIKMYQIGDK-PDNLDELLANANKIIE-EKVGAKLDIQYLGWGDYGKKMSVITSSGENYDIAFADN--Y-IVNAQKGAYADLTELYKKEGKDLYKALDPAYIKGNTVNGKIYAVPVA-ANVASSQNFAFNGTLLAKYGIDISGVTSYETLEPVLKQIKEKAPDVVPFAIGKV--FIPSDNFDYPV-ANGLPFVIDLEGDTTKVVNRYEVPRFKEHLKTLHKFYEAGYIPKDVATSDT-----SFDLQQDTWFVREE-TVGPADYGNSLLS-RVANKDIQIKPITNFIK-K-NQT--TQVANFVISNNSKNKEKSMEILNLLNTNPELLNGLVYGPEGKNWEKIEGKENRVRVLDGYKGNTHMGGWNTGNNWILYINENVTDQQIENSKKELAEAKESPALGFIFNTDNVKSEISAIANTMQQFDTAINTGTVDPDKAIPELMEKLKSEGAYEKVLNEMQKQYDEFLKNKK 3VXC Chain:A ((38-355)) ----------------------------------------------------------------TITAMVYGDDAVKVQDKAASRFNASAEAKKANAKVKMERIPASDYPAKLRTAMGSPNAPDIFFNWGGGSIKAYKEAGQLVDLTDVIKSDE-VLSTGFLPSVVAAGSLDGHEYGIPMRGMQ---PVLLFYNKSVFAEHKLTP--PTTWDQLLDNVAKLKKAG--VTPFALGGVEIWPELMWLEYLVDRIGGPQVFDK-IRNGDA-SGWGDPAVLKAAQTVKQLVDEGAFGKGFSSVSYNNGGAPALLAKGKAGMHLMGSWEYSTQLGKFPDFAKKDLGWCAFPSFEGGAGDIRNVVGNPCNYWSVNARTGNKDGAIAFLRDCASEAYTK----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VXC.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 : 1440 22656 15.73 76.03 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 15.73 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_3VXC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VXC-query.scw PDB file : Tito_Scwrl_3VXC.pdb: