Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTVKGLNKSFGENEILKKIDMKIEKGKVIAILGPSGSGKTTLLRCLNALEIPNRGELAFDDFSIDFSKKVKQADILKLR-RKSGMVFQAYHLFPHRTALENVMEGPVQVQKRNKEEVRKEAIQLLDKVGLKDKMDLYPFQLSGGQQQRVGIARALAIQPELMLFDEPTSALDPELVGEVLK-VIKDLANEGWTMVVVTHEIKFAQEVADEVIFIDGGVIVEQGPPEQIFSAPKEERTQRFLNRILNPL 3FVQ Chain:B ((5-232)) -LHIGHLSKSFQNTPVLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTI-FSKNTN----LPVRERRLGYLVQEGVLFPHLTVYRNIAYGLGNGKGRTAQE-RQRIEAMLELTGISELAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQTASPHELYRQPAD--------------

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 : 1149 -135927 -118.30 -601.44 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -118.30 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.498

(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: