Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKIWFAEYQKTGIPETVALPAENTSLVDIFERNFQKFGSRDAFIFMDKAMSFNELELASRKFATYLQNLGLAKGTRVAVMMPNVLQYPVVALAVLRAGLVLVNVNPLYTARELEHQLNDSGAEVLVIIENFASVYQSILGK--TPVKHVVVASVGDMLGTLKGTLVNFVLRKVRKQIPAWNIPGHVKFNSALNKENPSNYKRPTLTLSDTAVLQYTGGTTGVSKGAELTHRNLVANLLQCDGIFQSKFGANDGAKGDRIVCALPLYHIFAFMVCAMYGMYKGQANILIPNP----RDLPAVIKELRKYQPSFFPAVNTLFNALVNNEEFKQLDHSNLKMAMGGGMAVLPSTAEAWKKITGTTIIEGYGLSETSPVATANPPASTEFSGTIGIPLPLTEVAILDDDGKEVPLGEQGEISIRGPQVMKGYWNRPDETAKVMTADGFFRTGDIGVMDSRGYVKIVDRKKDMILVSGFNVYPSEIEEVIAKHPKVLEVAAIGVPDEKSGEVPKLFIVKKDP-SLTTEEVLNFAKENLTGYKRPRYVEFMDELPKSNVGKILRKDLRKPV 4RLQ Chain:B ((6-516)) ----------------------EKFNFAEHLLQTNRVRPDKTAFVDDISSLSFAQLEAQTRQLAAALRAIGVKREERVLLLMLDGTDWPVAFLGAIYAGIVPVAVNTLLTADDYAYMLEHSRAQAVLVSGALHPVLKAALTKSDHEVQRVIVSRPAAPL-----------------------EPGEVDFAEFVGAHAPL-EKPAATQADDPAFWLYSSGSTGRPKGVVHTHANPYWTSELYGRNT------LHLREDDVCFSAAKLFFAYGLGNALTFPMTVGATTLLMGERPTPDAVFKRWLGGVGGVKPTVFYGAPTGYAGMLAAPNLPSRDQVALRLASSAGEALPAEIGQRFQRHFGLDIVDGIGSTEMLHIFLSNLPD-RVRYGTTGWPVPGYQIELRGDGGGPVADGEPGDLYIHGPSSATMYWGNRAKSRDTF-QGGWTKSGDKYVRNDDGSYTYAGRTDDMLKVSGIYVSPFEIEATLVQHPGVLEAAVVGVADEHGLTKPKAYVVPRPGQTLSETELKTFIKDRLAPYKYPRSTVFVAELPKTATGKIQRFKLREG-

General information: TITO was launched using: RESULT: Template: 4RLQ.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 : 3157 -68977 -21.85 -136.86 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -21.85 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_4RLQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RLQ-query.scw PDB file : Tito_Scwrl_4RLQ.pdb: