Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNQEIVVILGNADKRDWHFILVQLFFQLLGRRDRLFKTYFRFNKIQDNPFRIMNLMLLIFIVLWLGYINHDFLISSFSSLGIFTFFYYQNIPMKYLLKRMFLIGCGLLVAFVLGILSTYVLWLEPFAVALVAFSSRFVLRLFHISKPGGLFFAMLSAMGTSMQLPIAQLPIVSLYFFMGVVFALIAAVITKLLDSRPEQTIEKATLKERFHEEPLVIIDSVFYSAALFLSVYVSHGLNLHNPYWLTLSCASILLAENLDAMKHRQVQYLIGSMGGLCVSA-----FLSFVPFTQLQTIFLITFLYGIAQFLVARNYAVANIFLNPMALMLSTLIRGAYLISLIEYRFLGIVIGSFIGLGVAWVMTVGLQHYLTVVRQKLE 4R8G Chain:E ((5-332)) -----RRQSLATKIQAAWRGFHWRQKFLRVKRSAICIQSWWRGTLGRRKAAK-RKWAAQTIRRLIRGFILRH------SPRCPENAFFLDHVRASFLLNLR--------RQLPRNVLDTS--WPTP------PPALREASELLRELCMKNMVWKYCRSISPEWKQQLQQKAVASEIF-KGKKDNYPQSVPRLFISTRLGTEEISPRVLQSLGSEPI--------QYAVPVVKYDRKGYK-PRPRQLLLTPSAVVIVE--DAKVKQRIDY--ANLTGISVSSLSDSLFVLHVQKQKGDVVLQSDHVIETLTKTALSADRVNNININQGSITFAGGPGRDGIIDFTS--------------GSELLITKAKNGHLAVVAPRL-

General information: TITO was launched using: RESULT: Template: 4R8G.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 1056 -103296 -97.82 -323.81 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain E : 0.60 3D Compatibility (PKB) : -97.82 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.138

(partial model without unconserved sides chains): PDB file : Tito_4R8G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R8G-query.scw PDB file : Tito_Scwrl_4R8G.pdb: