Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------MRYKAMKKQRLMIALLATLGMGSAFASTSSEYNIANGLLPVEKDQSISVLQPFQGNFRILGSKIYHNDEQ--AKFSPIDYAVSWGL-FAQPEIARHISVKQYD---RYLNWKIAKLPVPAEQAM-----QMVSNMHIIPANPE-------IAQQIKQVKRGDLVYLKGDLVEIKDKDLVWK-SSLTPTDIGNGACELFRVQSIHWVEKQNI- 4NXT Chain:A ((9-345)) DLKKSRLRMSLQEKLLTYYRNRAAIPAGEQARAKQAAVDICAELRSFLRAKLPDMPLRDMYLSGSLYDDLQVVTADHIQLIVPLVLEQNLWSCIPGEDTIMNVPGFFLVRRENPEYFPRGSSYWDRCVVGGYLSPKTVADTFEKVVAGSINWPAIGSLLDYVIRPAPPPEALTLEVQYERDKHLFIDFLPSVTLGDTVLVAKPHRLAQYDNLWRLSLRPAETARLRALDQADSGCRSLCLKILKAICKSTPALGHLTASQLTNVILHLAQEEADWSPDMLADRFLQALRGLISYLEAGVLPSALNPKVNLFAELTPEEIDELGYTLYCSLS----EPEVLL

General information: TITO was launched using: RESULT: Template: 4NXT.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 : 635 -15035 -23.68 -79.97 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -23.68 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.090

(partial model without unconserved sides chains): PDB file : Tito_4NXT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NXT-query.scw PDB file : Tito_Scwrl_4NXT.pdb: