Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MNQLHRRMGTFSLMMVGLGSMIGSGWLFGAWRAAQIAGPAAIISWVIGMVVILFIALSYSELGSMFPEAGGMVKYTQYSHGSFIGFIAGWANWIAIVSVIPVEAVASVQYMSSWPWEWAKWTSGLVKNGTLTGEGLAFASVLLLIYFLLNYWTVNLFSKANSLITIFKIIIPGLTIGALLFVGFHGENFTGGQSIAPNGWASVLTAVATSGIVFAFNGFQSPINMAGEAKNPGKSIPIAVVGSLFVATVIYVLLQIAFIGAVNPSDIAHGWSHLNFNSPFADLAIALNINWLVIVLYADAFVSPSGTGITYTATTSRMIYGMEKNKYMPSIFGKLHPIYGVPRQAMFFNLIVSFIFLFLFRGWGVLAEIISVATLISYITG----PITVMTLRRTGKDLYRPLRLKGLNVIAPLGFIFASLVLYWARWPLTGQVLFIILIGLPIYFYYQAKAKWKGFGRNFKAGVWMVFYLLAMMVISYLGSDKFGGLNVIHYGWDMVLIAMVSLVFYVWALKSGYQTEYLKDAKEINSQLLNGQSEAAAGKE--------------- 4B3X Chain:A ((1-363)) MAKVRIYQLAKELG-----------------------------------------------METQELLELLDQMG--VAYKSHA------------------STLEEKDAEAVRELVKEQRGLQEKLAEEERRKSL--------------------------PRRPPVVVIMGHVDHG---KTTLLDYLRKSRIAEKEGGGITQHVGAFEVKTPQGTVVFID---TPGHEAFTTIRQR--------GAKVADIAVIVIAADDGIMPQTEEAIAHAKA------AGAKLIFAINKIDL------------------PQADPEKVKRQLMERGFVPEEYGGD-----------------------------------AIVIPISAKTGQGVQDLLEMILLLAELEDYRADPNAE-----PRGVILESKLDKQAG----IIANMLVQEG------------------TFRVGDYVVAGE-AYGRIRAMMDADGNQRKEAGPG------SAVQVLGFQELPHAGDVVEWVPDLEAAKEIAEERKEERKAREEEEKARRPRTMAELLR

General information: TITO was launched using: RESULT: Template: 4B3X.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 : 1662 -229919 -138.34 -678.23 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -138.34 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_4B3X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4B3X-query.scw PDB file : Tito_Scwrl_4B3X.pdb: