Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTLKEPTAEEIKKKRIYAEWGLTDEEYRMIEEDILGRMPNYTETGLFSVMWSEHCSYKNSKPVLRKFPT------SGPHVLQG--PGEGAGIVDIGDGLAVVFKAESHNHPSAVEPYEGAATGVGGIIRDIFSMGARPIALLDSLRFGELDNPRTKYLLEEVVAGIGGYGNCIGIPTVGGEIAFDPCYEGNPLVNAMCVGLIEHKHIQKGQAAGVGNSIMYVGAKTGRDGIHGATFASEEFNQEEEQQRSAVQVGDPFMEKLLLEACLELILHHSDSLIGIQDMGAAGLVSSSAEMASKAGSGLILTLDEVPQRET----------------GMTPYEM------------ML-SESQERMLICVKSGEEEKIQELFQKYDLDAVTIGKVTDDGQYRLYHQGEEVANLPVDALAEDAPVYHKEMKEPARIVEFQQLAPYQPVIEEPGQVLLDLLQQPTIASKRSIYETYDSQVQTNTVVRPGSDAAVMRVRGTNKALAMTTDCNARYLYLDPKIGGQIAVAEAARNIIASGGKPLAITDCLNYGSPDKPEVFWELSTSADGIAAACETLGTPVISGNVSLYNETDGQAIYPTPMIGMVGLIEDHKHITTQEFKKSGDLIYILGKTFADFDGSELQKMQLGRIEGVIRNFDLSIEKRNQELVLTAIQNGLIESAHDCSEGGLAIALAESAFKHQLGISVQFELSSAQLFAETQSRFVLTVAPENKTRFEEMMGDAAVLAGKVTDEAIIEISATDGQIKIETAVARKCWEDAIVCLMK 3U0O Chain:B ((13-338)) ---------------------------------------------------HGAGCGCKISPKVLETILHSEQAKFVDPNLLVGNETRDDAAVYDLGNGTSVISTTDFF-MPIVDNPFDFGRIAATNAISDIFAMGGKPIMAIAILGWPINK--LSPEIAREVTEGGRYACRQAGIALAGGHSIDAP----EPIFGLAVTGIVPTERVKKNSTAQAGCKLFL----TKPLGIGVLTTAEKK-SL---LKPEHQGLATEVMCRM-NIAGASFANI--EGVKAMTDVTGFGLLGHLSEMCQGAGVQARVDYEAIPKLPGVEEYIKLGAVPGGTERNFASYGHLMGEMPREVRDLLCDPQTSGGLLLAVMPEAENEVKATAAEFGIELTAIGELVPAR----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3U0O.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 : 1484 -601 -0.40 -2.08 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -0.40 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_3U0O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U0O-query.scw PDB file : Tito_Scwrl_3U0O.pdb: