Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------MNRKGNLSMTTQLQHLTLPEDIQQKLLSYKEQPISPEFQSLIGTS-GYEAEDEAIL-FDAIIALAMGKN-------VLLKGPTGSGKTKLAETLSSYFHKPMHSVNCSVDLDAEALVGYKTIENQSGQATIEFVSGPVTKAMKEGH----FLYIDEINMA----KPETLPILNGVLDYRKMMTNPFTGEVIRAKSGFG---VIAAINEGYVGTVPLNEALKNRFVIIDVP----YIKGELLKQVLMSQSALKDEKLIDRFITLSSDLIVQANNGQVSEEAASIRALIDTCDLAAYIPPRRAIERGIVEKLDDDREKAAVRNIAETLFE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4YPL Chain:C ((5-542)) LSDLEALRKKIEEVGMPEAVKTKALKELDRLERMQQGSPEATVARTYLDWLTEVPWSKADPEVLDINHTRQVLDEDHYGLKDVKERILEYLAVRQLTQGLDVRNKAPILVLVGPPGVGKTSLGRSIARSMNRKFHRISLGGVRDEAEIRGHR-------RTYIGAMPGKLIHAMKQVGVINPVILLDQIDKMSSDWRGDPASAMLEVLDPEQ--NNTFTDHYLDVPYDLSKVFFITTANT----LQTIPRPLLDRMEVIEIPGYTNMEKQAIARQYLWPKQVRESGM--EGRIEVTDAAILRVISEYTRE--AGVRGLERELGKIARKGAKFWLE-GAWEGLRTIDASDIPTYLGIPRYRPDKAETEPQVGTAQGLAWTPVGGTLLTIEVAAVPGSGKLSLTGQLGEVMKESAQAALTYLRAHTQDYGLPEDFYNKVDLHVHVPDGATPKDGPSAGITMATAIASALSRRPARMDIAMTGEVSLRGKVMPIGGVKEKLLAAHQAGIHKIVLPKDNEAQLEELPKEVLEGLEIKLVEDVGEVLEYLLLPEPTMPPVV

General information: TITO was launched using: RESULT: Template: 4YPL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1160 13603 11.73 47.56 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain C : 0.60 3D Compatibility (PKB) : 11.73 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.254

(partial model without unconserved sides chains): PDB file : Tito_4YPL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YPL-query.scw PDB file : Tito_Scwrl_4YPL.pdb: