Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNTELELLRQKADELNLQILKLINERGNVVKEIGKAKEAQGVNRFDPVRERTMLNNIIENNDGPFENSTIQHIFKEIFKAGLELQEEDHSKALLVSRKKKPEDTIVDIKGEKIGDGQQRFIVGPCAVESYEQVAEVAAAAKKQGIKILRGGAFKPRTSPYDFQGLGVEGLQILKRVADEFDLAVISEIVTPAHIEEALDYIDVIQIGARNMQNFELLKAAGAVKKPVLLKRGLAATISEFINAAEYIMSQGNDQIILCERGIRTYETATRNTLDISAVPILKQETHLPVFVDVTHSTGRRDLLLPTAKAALAIGADGVMAEVHPDPSVALSDSAQQMAIPEFEKWLNELKPMVKVNA 3NVT Chain:A ((32-381)) -------ELRTQVDQLNIDLLELISKRANLVQEIGKIK-----GRFDPLREREMLNTILAANEGPFEDSTVQKLFKEIFKAGLELQEEDHSKALLVSRKNKKEDTIVTVKGLPIGNGEPVFVFGPCSVESYEQVAAVAESIKAKGLKLIRGGAFKPRTSPYDFQGLGLEGLKILKRVSDEYGLGVISEIVTPADIEVALDYVDVIQIGARNMQNFELLKAAGRVDKPILLKRGLSATIEEFIGAAEYIMSQGNGKIILCERGIRTYEKATRNTLDISAVPILKKETHLPVMVDVTHSTGRKDLLLPCAKAALAIEADGVMAEVHPDPAVALSDSAQQMDIPEFEEFWNAILASNLVP-

General information: TITO was launched using: RESULT: Template: 3NVT.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 : 1698 -166622 -98.13 -482.96 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.93 3D Compatibility (PKB) : -98.13 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_3NVT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NVT-query.scw PDB file : Tito_Scwrl_3NVT.pdb: