Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQKQVKISGKSKENMSLLKHLKGDVQGKELVIEDSIVNERWKQVLKEKIDIEHDLFNYQKNREISKVPFLPVDRLITNDEVEDILNTLTEVLPTGKFTSGPYLEQFEKVLSTYLHKRYVIATSSGTDAIMIGLLALGLNPGDEVIMPANSFSATENAVLASGGVPIYVDINPQTFCIDPDKIEEAITPYTKFILPVHLYGKHSDMQHIRQIANRYKLKVIEDACQGIGLTDLGKY---ADITTLSFNPYKNFGVCGKAGAIATDNEELAKKCIQFSYHGFEVNVKNKK--VINFGFNSKMDNLQAAIGLERMKYLSLNNFKRLFLADRYITQLAELQNKGYIELPELSEDHVWHLFPIKV---RTEDRADIMTKLNEDFGVQTDVYYPILSHMQKTPLVQDKYAGLQLVHTEKAHSQVLHLPLYPSFTLEEQDRVMEGLFHVIKQEIGV 4OCA Chain:A ((10-384)) --------------------------------------------------------------------FLPFSRPAMGAEE---LAAVKTVLDSGWITTGPKNQELEAAFCRLTGNQYAVAVSSATAGMHIALMALGIGEGDEVITPSMTWVSTLNMIVLLGANPVMVDVDRDTLMVTPEHIEAAITPQTKAIIPVHYAGAPADLDAIYALGERYGIPVIEDAAHATGTSYKGRHIGARGTAIFSFHAIANI-TCAEGGIVVTDNPQFADKLRSLKFHGLG-------AEVLAPGYKYNLPDLNAAIALAQLQKLDALNARRAAIAAQYHQAMADLPFQP-LSLPSWEHIHAWHLFIIRVDEARCGITRDALMASLKTKGIGTGLHFRA-AHTQK--YYRERFPTLTLPDTEWNSERICSLPLFPDMTESDFDRVITALHQIAG-----

General information: TITO was launched using: RESULT: Template: 4OCA.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 : 2085 -226212 -108.49 -640.83 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -108.49 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_4OCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OCA-query.scw PDB file : Tito_Scwrl_4OCA.pdb: