Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIELRQLSKAIDGNQVLKDVSLTIEKGEIFGLLGRNGSGKTTMLRLIQQIIFADSGTILFDGVEIKK----HPKVKQNIIYMPVQNPFYDKYTYKQLVDILRRIYPK---FDVTYANELMNRYEIP--ETKKYRELSTGLKKQLSLVLSFAARPALILLDEPTDGIDAVTRHDVLQLMVDEVAERDTSILITSHRLEDIERMCNRIGFLEDNSLTNVMDLDELKEEYIKIQMAFDTDVNLAIREQNIPMLDQAGVFYTVLIPKSDEEKKSFLRELKPKVWNELPVNLEEVFIAKFGGKRRW 3FVQ Chain:A ((4-234)) ALHIGHLSKSFQNTPVLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRERRLGYLVQEGVLFPHLTVYRNIAYGLGNGKGRTAQERQRIEAMLELTGISELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQTASPHELYRQ---------------------------------------------------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 1104 -19884 -18.01 -91.63 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -18.01 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.563

(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: