Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTKSILEELLLKRSQQKKKMSPNNYKERLFVLTKTNLSYYEYDKMKRGSRKGSIEIKKIRCVEKVNLEEQTPVERQYPFQIVYKDGLLYVYASNEESRSQWLKALQKEIRGNPHLLVKYHSGFFVDGKFLCCQQSCKAAPGCTLWEAYANLHTAVNEEKHRVPTFPDRVLKIPRAVPVLKMDAPSSSTTLAQYDNESKKNYGSQPPSSSTSLAQYDSNSKKIYGSQPNFNMQYIPREDFPDWWQVRKLKSSSSSEDVASSNQKERNVNHTTSKISWEFPESSSSEEEENLDDYDWFAGNISRSQSE-QLLRQKGKEGAFMVRNSSQVGMYTVSLFSKAVNDKKG-TVKHYHVHTNAENKLYLAENYCFDSIPKLIHYHQHNSAGMITRLRHPVSTKANKVPDSVSLGNGIWELKREEITLLKELGSGQFGVVQLGKWKGQYDVAVKMIKEGSMSEDEFFQEAQTMMKLSHPKLVKFYGVCSKEYPIYIVTEYISNGCLLNYLRSHGKGLEP-SQLLEMCYDVCEGMAFLESHQFIHRDLAARNCLVDRDLCVKVSDFGMTRYVLDDQYVSSVGTKFPVKWSAPEVFHYFKYSSKSDVWAFGILMWEVFSLGKQPYDLYDNSQVVLKVSQGHRLYRPHLASDTIYQIMYSCWHELPEKRPTFQQLLSSIEPLREKDKH 4LUD Chain:B ((32-440)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QMVVLEESGEWWKARSL--ATRKEGYIPSNYVARV---------------------DSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSET--SYSLSV--RDYDPRQGDTVKHYKI-----------------TLQELVDHYKKGNDGLCQKLSVPCMSSKPQKP----WEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKPG--SVEAFLAEANVMKTLQHDKLVKLHAVVTKE-PIYIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCKIADFGLARVI-------------PIKWTAPEAINFGSFTIKSDVWSFGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMMRCWKNRPEERPTFEYIQSVLD--------

General information: TITO was launched using: RESULT: Template: 4LUD.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 : 1738 -25673 -14.77 -69.20 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -14.77 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.218

(partial model without unconserved sides chains): PDB file : Tito_4LUD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4lud-query.scw PDB file : Tito_Scwrl_4LUD.pdb: