Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSRYERQEKIGEGTYGVVYKARDTSTAATVALKRIRLDSEEEGVPCTAIREISLLKELRHENIVKLLDVCHSEHRLTIVFEYLDLDLKKYLDRENGNLDAATVQHFMRDLLRGVAFCHQRSVLHRDLKPQNLLISREKELKLGDFGLGRSFAIPVRKFTNEVVTLWYRPPDVLLGSMQYGPPVDVWSVGCIFSEMA-TGTPLFAGKNDADQLMRIFRFLGTPNNRVWPSMNQYPNSNNMLSQPEFLQNFEPEWSNVLGSVPGYEKLGCAGVDLLEKLLRYEPSERITAADALNHPYFSLQF 1UNG Chain:A ((3-287)) ---KYEKLEKI----YGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLANFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYK---PYPMY-----PATTSLVNVVP---KLNATGRDLLQNLLKCNPVQRISAEEALQHPYFS---

General information: TITO was launched using: RESULT: Template: 1UNG.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 : 1391 -117357 -84.37 -419.13 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -84.37 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_1UNG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1UNG-query.scw PDB file : Tito_Scwrl_1UNG.pdb: