Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKIWFAEYQKTGIPETVALPAENTSLVDIFERNFQKFGSRDAFIFMDKAMSFNELELASRKFATYLQNLGLAKGTRVAVMMPNVLQYPVVALAVLRAGLVLVNVNPLYTARELEHQLNDSGAEVLVIIENFASVYQSILGK--TPVKHVVVASVGDMLGTLKGTLVNFVLRKVRKQIPAWNIPGHVKFNSALNKENPSNYKRPTLTLSDTAVLQYTGGTTGVSKGAELTHRNLVANLLQCDGIFQSKFGANDGAKGDRIVCALPLYHIFAFMVCAMYGMYKGQANILIPNP----RDLPAVIKELRKYQPSFFPAVNTLFNALVNNEEFKQLDHSNLKMAMGGGMAVLPSTAEAWKKITGTTIIEGYGLSETSPVATANPPASTEFSGTIGIPLPLTEVAILDDDGKEVPLGEQGEISIRGPQVMKGYWNRPDETAKVMTADGFFRTGDIGVMDSRGYVKIVDRKKDMILVSGFNVYPSEIEEVIAKHPKVLEVAAIGVPDEKSGEVPKLFIVKKDP-SLTTEEVLNFAKENLTGYKRPRYVEFMDELPKSNVGKILRKDLRKPV 4RM2 Chain:B ((6-516)) ----------------------EKFNFAEHLLQTNRVRPDKTAFVDDISSLSFAQLEAQTRQLAAALRAIGVKREERVLLLMLDGTDWPVAFLGAIYAGIVPVAVNTLLTADDYAYMLEHSRAQAVLVSGALHPVLKAALTKSDHEVQRVIVSRPAAPL-----------------------EPGEVDFAEFVGAHAPL-EKPAATQADDPAFWLYSSGSTGRPKGVVHTHANPYWTSELYGRNT------LHLREDDVCFSAAKLFFAYGLGNALTFPMTVGATTLLMGERPTPDAVFKRWLGGVGGVKPTVFYGAPTGYAGMLAAPNLPSRDQVALRLASSAGEALPAEIGQRFQRHFGLDIVDGIGSTEMLHIFLSNLPD-RVRYGTTGWPVPGYQIELRGDGGGPVADGEPGDLYIHGPSSATMYWGNRAKSRDTF-QGGWTKSGDKYVRNDDGSYTYAGRTDDMLKVSGIYVSPFEIEATLVQHPGVLEAAVVGVADEHGLTKPKAYVVPRPGQTLSETELKTFIKDRLAPYKYPRSTVFVAELPKTATGKIQRFKLREG-

General information: TITO was launched using: RESULT: Template: 4RM2.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 : 3105 -69448 -22.37 -137.79 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -22.37 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.506

(partial model without unconserved sides chains): PDB file : Tito_4RM2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RM2-query.scw PDB file : Tito_Scwrl_4RM2.pdb: