Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKDRYILAFETSCDETSVAVLKNDDELLSNVIASQIESHKRFGGVVPEVASRHHVEVITACIEEALAEAGITEEDVTAVAVTYGPGLVGALLVGLSAAKAFAWAHGLPLIPVNHMAGHLMAAQSVEPLEFPLLALLVSGGHTELVYVSEAGDYKIVGETRDDAVGEAYDKVGRVMGLTYPAGREIDELAHQGQDIYDFPRAMIKEDNLEFSFSGLKSAFINLHHNAEQKGESLSTEDLCASFQAAVMDILMAKTKKALEKYPVKTLVVAGGVAANKGLRERLATEIT--DVNVIIPPLRLCGDNAGMIAYASVSEWNKENF-ANLDLNAKPSLAFDTME 2VWB Chain:A ((1-317)) ---MICLGLEGTAEKTGVGIVTSDGEVLFN-KTIM-------------EAADHHAETFPKLIKEAFEVV--DKNEIDLIAFSQGPGLGPSLRVTATVARTLSLTLKKPIIGVNHCIAHIEIGKLTTE-AEDPLTLYVSGGNTQVIAYVS-KKYRVFGETLDIAVGNCLDQFARYVNLPHPGGPYIEELARKGKKLVDLPYTV---KGMDIAFSGLLTAAMRAYDA------GERLEDICYSLQEYAFSMLTEITERALAHTNKGEVMLVGGVAANNRLREMLKAMCEGQNVDFYVPPKEFCGDNGAMIAWLGLLMHKNGRWMSLDETKIIPNYRTD---

General information: TITO was launched using: RESULT: Template: 2VWB.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 : 1815 -216369 -119.21 -714.09 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -119.21 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.588

(partial model without unconserved sides chains): PDB file : Tito_2VWB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VWB-query.scw PDB file : Tito_Scwrl_2VWB.pdb: