Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTKSILEELLLKRSQQKKKMSPNNYKERLFVLTKTNLSYYEYDKMKRGSRKGSIEIKKIRCVEKVNLEEQTPVERQYPFQIVYKDGLLYVYASNEESRSQWLKALQKEIRGNPHLLVKYHSGFFVDGKFLCCQQSCKAAPGCTLWEAYANLHTAVNEEKHRVPTFPDRVLKIPRAVPVLKMDAPSSSTTLAQYDNESKKNYGSQPPSSSTSLAQYDSNSKKIYGSQPNFNMQYIPREDFPDWWQVRKLKSSSSSEDVASSNQKERNVNHTTSKISWEFPESSSSEEEENLDDYDWFAGNISRSQSE-QLLRQKGKEGAFMVRNSSQV-GMYTVSLFSKAVNDKKG-TVKHYHVHTNAENKLYLAENYCFDSIPKLIHYHQHNSAGMITRLRHPVSTKANKVPDSVSLGNGIWELKREEITLLKELGSGQFGVVQLGKWKGQYDVAVKMIKEGSMSEDEFFQEAQTMMKLSHPKLVKFYGVCSKEYPIYIVTEYISNGCLLNYLRSHGKGLEP-SQLLEMCYDVCEGMAFLESHQFIHRDLAARNCLVDRDLCVKVSDFGMTRYVLDDQYVSSVGTKFPVKWSAPEVFHYFKYSSKSDVWAFGILMWEVFSLGKQPYDLYDNSQVVLKVSQGHRLYRPHLASDTIYQIMYSCWHELPEKRPTFQQLLSSIEPLREKDKH 4LUE Chain:B ((32-440)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QMVVLEESGEWWKARSL--ATRKEGYIPSNYVARV---------------------DSLETEEWFFKGISRKDAERQLLAPGNMLGSFMIRDSETTKGSYSLSV--RDYDPRQGDTVKHYKIRT----GFYISPRSTFSTLQELVDHYKKGNDGLCQKLSVPCMSSKPQKP----WEKDAWEIPRESLKLEKKLGAGQFGEVWMATYNKHTKVAVKTMKP--------LAEANVMKTLQHDKLVKLHAVVTKE-PIYIITEFMAKGSLLDFLKSDEGSKQPLPKLIDFSAQIAEGMAFIEQRNYIHRDLRAANILVSASLVCKIADFGLARVI-------------PIKWTAPEAIN---FTIKSDVWSFGILLMEIVTYGRIPYPGMSNPEVIRALERGYRMPRPENCPEELYNIMMRCWKNRPEERPTFEYIQSVLD--------

General information: TITO was launched using: RESULT: Template: 4LUE.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 : 1773 -8382 -4.73 -22.23 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -4.73 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.241

(partial model without unconserved sides chains): PDB file : Tito_4LUE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4lue-query.scw PDB file : Tito_Scwrl_4LUE.pdb: