Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKRKVVVALGGNAILSTDASAKAQQEALMETAKYLVKFIEQGDELIISHGNGPQVGNLLIQQQAADSEKTPAMPLDTCVAMTEGSIGYWLQNAMGEVLKEKGIDKDVVSLVTQVIVDENDPSFKNPSKPVGPFYTEEEAKEQMNADSTVTFKEDAGRGWRKVVASPKPISIKEARVIETLVDQGVITVSVGGGGIPVVETATGLEGREAVIDKDFASEKLAEIIDADLLIVLTGVDNVYVNYQKPDQKKLETVTVSEMKQYIDEKQFAPGSMLPKVEAAIAFVEAKPNAKAIITSLENIENLLASE-EGTIIVAD 2WE5 Chain:B ((3-308)) ---KKMVVALGGNAILSNDASAHAQQQALVQTSAYLVHLIKQGHRLIVSHGNGPQVGNLLLQQQAADSEKNPAMPLDTCVAMTQGSIGYWLSNALNQELNKAGIKKQVATVLTQVVVDPADEAFKNPTKPIGPFLTEAEAKEAMQAGA--IFKEDAGRGWRKVVPSPKPIDIHEAETINTLIKNDIITISCGGGGIPVV--GQELKGVEAVIDKDFASEKLAELVDADALVILTGVDYVCINYGKPDEKQLTNVTVAELEEYKQAGHFAPGSMLPKIEAAIQFVESQPNKQAIITSLENLGSMSGDEIVGTVV---

General information: TITO was launched using: RESULT: Template: 2WE5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1617 -144986 -89.66 -475.36 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.91 3D Compatibility (PKB) : -89.66 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.582

(partial model without unconserved sides chains): PDB file : Tito_2WE5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WE5-query.scw PDB file : Tito_Scwrl_2WE5.pdb: