Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MKRASIVREKKYYELVEQLKDRTQDVTFSATKALSLLMLFSRYLVNYTNVESVNDINEECAKHYFNYLMKNHKRLGINLTDIKRSMHLISGLLDVDVNHYLKDFSLSNVTLWMTQER--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4UZY Chain:A ((9-650)) QQPARPIAEGQYTQTIYTLIKEQKFAEAIQHLQYQLQNVPES-RAALSLLGYCYYYT---GQYDMASQMYEQLVTLYPS---NEDYKLYYAQSLYKGGMYPEASKAVVKVEGHQKAVTTLLVACSYEQDDLTGCRRQLDKCAPEDPDTMVNTGCIMFKEGKFEAARQKFNDYQPELLYNIALCYYKTKQFGPALKHLAEIIEKAVREHPELSVGSDGMEVRSVGNSQTLKETALIEAFNLKAAIEYTMKNVEAAKEALTDMPPRAEEELDPVTLHNSALINMDSDPTGGFKKLNFLLQSPPFPPETFANLLLLYCKPSHGFYDLAADVLAENPQYAGKLLSPDLYDYLQAAIGRYKSPEEAFRRFDELATRHVEQLRRLTKQIQDARIARDNDAIKRAINEYDEALEAYIPGLMAMASIYWDMELYSNVEKIFRQSAEFCSEHEVWKLNVAHTFFMQDNHYKEAIRYYEPVVKKNADNLLGVTAIVLANLCVSYIMTSQNEEAEELMRKVEKEEERSSMQDPDKPCFHLCIINLVIGTLYCAKGNYEFGVSRIIKSLEETDTWYYAKRCFLALIENLAKHMIVLKDSSFTEIMAFLNEAEKHGKDIRVVFNQSRTIASEARMLKKMFLKLR

General information: TITO was launched using: RESULT: Template: 4UZY.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 : 413 -2062 -4.99 -18.74 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -4.99 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_4UZY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UZY-query.scw PDB file : Tito_Scwrl_4UZY.pdb: