Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQVDTLDTQKLAEYLEQHIDGFKGPIEADKFEGGQSNPTFKITAASGAYVLRRQPPGKLLKSAHAV-DREFRVMAALKDTDVPVPNVLHLCED---RDVIGSMFYVMEFCEG-RILWSAGLPEMGEGEAANAVRGEMYSEMNRVLAAM-HSVDLEAVGLTDYGKPGNYFERQLGRWTQQYEASKLQEIPAMDSLIEWLQANQPEDDGQVSLVHGDYRLDNMMWHPEKPQVIAVLDWELSTLGHPLADLAYQCMGMRMPQRGAKMAGLQGKDRTALGIPTEKEYVAMYCERRGISQIDNWEFYLAFSFFRLAAICQGVAKRAEDGNASNKQAAEVGALVEPLATMAMQIINEGA--- 2PPQ Chain:A ((5-320)) ----TDITEDELRNFLTQY-----DVGSLTSYKGIAENSNFLLHTTKDPLILTLYEKKNDLPFFLGLMQ-------HLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMW---------------LRKPEAKHCREVGKALA-AMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPA-GVIHADLFQDNVFFL--GDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGA------------YNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1453 -25027 -17.22 -83.15 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -17.22 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: