Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQHQINGIALPNEQGFFGEYGGQFIPPHLKEAMDEINVAYEEIRHTPEFQNELADLFANYVGRPSPLFHAKRLSEQLGGAQIYLKREDLNHTGAHKINHCLGEALLAKYMGKKKVIAETGAGQHGVALATACALVGIPCEIHMGQVDIEKEHPNVVKMKILGAHLVSVTRGTATLKDAVDSAFEEYLK---DPKNFIYAIGSVVGPHPFPKMVRDFQSIIGKEIKEQTHQRFGKNPDYVVACVGGGSNAIGAFTAFLNDSDVKLVGVEPAGHGLDTNMHSATLTLGKPSQIHGMACYVLENEAGEPLPVHSIASGLDYPGVGPQHSFLKDLGRVEYSTATDQECLDAFMTLSRVEGIVPALESSHAVAWAIREAPKL-PKETMIVVNLSGRGDKDSDYVAEKLKL 5CGQ Chain:B ((2-391)) ---------TTLLNPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGT-RTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVH---SGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDIL--

General information: TITO was launched using: RESULT: Template: 5CGQ.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 : 2596 -76786 -29.58 -198.93 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -29.58 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_5CGQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CGQ-query.scw PDB file : Tito_Scwrl_5CGQ.pdb: