Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYRTIETILVDIPTIRPHQLSVTTMRTQTLVLVKITTTDGIVGWGEATTIGGLNYGEESPESVKANIDTYFAPLLTSVKDLNVAQTLKLIRKNINGNRFAKCAIQTALLDIQAKRLGVPLSEVLGGRLRNSLPVLWTLASGDTEKDIAEARKMIELKRHNTFKLKIGARPLQQDVDHVIAIKKALGADVSVRVDVNRAWSELECIHGIQQLQDGGIDLIEQPCAIQNTEALARLTHRFDVAIMADEALTGPDSAYRIAKNHGADVFAVKIEQSGGLIEACEVGKIAGLAGIDLYGGTMLEGPVGSIASAHVFTTFETLAFGTELFGPLLLTEEILKGPLR-YENFELHLPTAPGLGIEIDEDKIEKLRR 3Q45 Chain:G ((2-363)) IITQVELYKSPVKLKEPFKISLGILTHANNVIVRIHTASGHIGYGECSPFMT--IHGESMDTAF-IVGQYLAKGLIGTSCLDIVSNSLLMDAIIYGNSCIKSAFNIALYDLAAQHAGLPLYAFLGGKKDKIIQTDYTVSIDEPHKMAADAVQIK-KNGFEIIKVKVGGS-KELDVERIRMIREAAGDSITLRIDANQGWSVETAIETLTLLEPYNIQHCEEPVSRNLYTALPKIRQACRIPIMADESCCNSFDAERLIQIQACDSFNLKLSKSAGITNALNIIRLAEQAHMPVQVGGFLESRLGFTAAAHVALVSKTICY-YDFDTPLMFEADPVRGGIVYQQRGIIEVPETAGLGAGYQKDYLSGLE-

General information: TITO was launched using: RESULT: Template: 3Q45.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 2242 -195031 -86.99 -540.25 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain G : 0.76 3D Compatibility (PKB) : -86.99 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_3Q45.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q45-query.scw PDB file : Tito_Scwrl_3Q45.pdb: