Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MEMSFIAQDFEKLDIITVLEG--RTQAIIRNHFLRYDRVVRCRVKIITMDMFSPYYDLARQLFPCAKIVLDRFHIVQHLSRAM--SRVRVQIMN-QLDRKSHEYKAIKRYWKLIQQDSRKLSDKHFYRPTFRMHLTNKEILDKLLSYSQ----DLKHHY----------QLYQLLLFHFQNKEPEKFFGLIEDNLKQVHPLFQTVFKTFLKDKEKIVNALQLPYSNAKLEATNNLIKLIKRN-AFGFRNFENFKKRIFIALNIKKERTKFVLSRA 4RKN Chain:A ((43-702)) MQMTKEAREIIAHPKGTKESRGVISLQDYIVEEQAMYDWLFKNHPIFTKYGGKTVGKLVVKDRGEEWIEEGRGNDFSKASKRSGGEGFSSMMYRVARNSTLQYPNKFIGPEKCGECHPAQYETWSRSRHATTIRFPGEHPEVNNKLNDPVFDKDTASILPQGITPDVVYCTVGHIRTKFGFFDAWLLRGTYHVEGGLLKNGTGQIVAGGNQWQRTWALNLSPEVAKKIKKWVPDFPVTLEEYGDNGGYVRGLASYAAKYKKSMSFQASTSYCEVCHPWKFDFKNESEFYAALGNAKELQKHTISKGVSCEECHGAGGHLEGGSGLLISNCERCHQRFSYSPDLMRNNPLNAGKPDLALSSKFKSMGPGCGSEGSQTYFTAHYEKGMRCATCHDPHDVTGNVTGEKGIKGVSYNSEQGYLSSLYSKPKLKKECTDCHKEQAYIQS---KADTHSKNSCASCHM----PF------MMSCEN-----FYAIQFQDQAGFDTQRRAHIWKIDVDPARKSLVAGSTS-----KDPRDGKDWHFERNE-----EGRNFVDLMWACARTTWADKDQAEAKGCHSPVVSELKETLHFKDQKQVYNEVMGWQTPVKDKFTQVKVGIQGLYSLLEVKKLAPSDKTRVYELIEKAQDTVDLIEKDGSWGMHGFKYTKQRLDAAVEYINEAQRIMKKSL

General information: TITO was launched using: RESULT: Template: 4RKN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 879 41514 47.23 182.88 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 47.23 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.208

(partial model without unconserved sides chains): PDB file : Tito_4RKN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RKN-query.scw PDB file : Tito_Scwrl_4RKN.pdb: