Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANMLEVKHINKTYKGQVSYQALKQISFSIEEGEFTAVMGPSGSGKTTLLNIISTIDRPDSGDILINGENPHRLKRTKLAHFRRKQLGFVFQDFNLLDTLTIGENIMLPLTLEKEAPSVMEEKLHGIAAKLGIENLLNKRTFEVSGGQRQRAAIARAVIHKPSLILADEPTGNLDSKATKDVMETLQSLNRDDHVTALMVTHDPVSA-SYCRRVIFIKDGELF-----NEIYRGENRQVFYEQILDVLSMLGGNANDLSSVRL 3FVQ Chain:B ((2-228)) -TAALHIGHLSKSFQ---NTPVLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFS-KNTNLP-VRERRLGYLVQEGVLFPHLTVYRNIAYGLGNGKGRTAQERQRIEAMLELTGISELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQTASPHELYR------------------------------

General information: TITO was launched using: RESULT: Template: 3FVQ.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 : 1131 -111963 -98.99 -506.62 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -98.99 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_3FVQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FVQ-query.scw PDB file : Tito_Scwrl_3FVQ.pdb: