Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEWYKKIGLLATTGLALFGLGACSNYGKSADGTVTIEYFN-QKKEMTKTLEEITRDFEKENPKIKVKVVNVPNAG-----EVLKTRVLAGDVPDVVNIYPQSIELQEWAKAGVF----EDLSNKDYLKRVKNGYAEKYAVNEKVYNVPFTANAY-GIYYNKDKFEELGLKVPETWDEFEQLVKDIVAKGQTPFGIAGADAWTLNGYNQLAFATATGGGKEANQYLRYSQPNAIKLSDPIMKDDIKVMDILRINGSKQKNWEGAGYTDVIGAFARGDVLMTPNGSWAITAINEQ---KPNFKIGTFMIPGKEKGQSLTVGAGDLAWSISATTKHPKEANAFVEYMTRPEVMQKYYDVDGSPTAIEGVKQAGEDSPLAGMTEYAFTDRHLVWL----QQYWTSEADFHTLTMNYVLTGDKEGMVNDLNAFFNPMKADVD 2B3F Chain:A ((1-392)) ---------------------------------MKLEIFSWWAGDEGPALEALIRLYKQKYPGVEVINATVTGGAGVNARAVLKTRMLGGDPPDTFQVHAGMELIGTWVVANRMEDLSALFRQEGWLQAFPKGLIDLISYKGGIWSVPVNIHRSNVMWYLPAKLKGWGVNPPRTWDKFLATCQTLKQKGLEAP-LALGENWTQQHLWESVALAVLG-----PDDWNNLWNGKLKFTDPKAVRAWEVFGRVLDCANK--DAAGLSWQQAVDRVVQGKAAFNIMGDWAAGYMTTTLKLKPGTDFAWAPSPGTQG----VFMMLSDSFGLPKGAKNRQNAINWLRLVGSKEGQDTSNPLKGSIAARLDSDPSKYNAYGQSAMRDWRSNRIVGSLVHGAVAPESFMSQFGTVMEIFLQTRNPQAAANAAQAIADQVGLGRL

General information: TITO was launched using: RESULT: Template: 2B3F.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 : 2212 76948 34.79 205.74 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 34.79 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_2B3F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B3F-query.scw PDB file : Tito_Scwrl_2B3F.pdb: