Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIAKLKIAIIGLGYVGLPLAVEFGKK-VPVVGFDIYQKRIDELKNGQDHTLEVSPE---ELKQAVHL---KYTAHLDDLQDSNFFIVTVPTPIDDFKQPDLTPLIKASTSIGQVLKKGDVVVYESTVYPGATEEVCIPVLEKISGLKFNQDFFAGYSPERINPGDKQHRVTNILKITSGSTPEVADYIDEVYNLIIEAGTHKAPNIKVAEAAKVIENTQRDVNIALINELALIFNKLDIDTEDVLKAAGTKWNFLPFRPGL-VGGHCIGVDPYYLTHKA-QSIGLHPEIILAARRLNDRMGEHVATQLIKEMVKQRIQVVGARILVMGLSFKENCPDIRNTKIVDFIKALKEYDLDLDIYDPWVDDTEVQHEYGLAPIKELQQGLYDAIVIAVAHNQFKSMSVEEFHALGKEKHVLYDLKYVLDKESSNIRL 4R16 Chain:A ((2-395)) ------RIAVLGLGYIGLPTAIMFASSGYDVVGYDIRSEVIKKINSGVAHIIE--PEIDRRLKEVLSLGKLKVTDRVEDLKGSNVFIICVQTPLSG-DDPDLSYLERAIRTVAEVMDRGALVIIESTIPPGTTEKMA-RLLENLTGLREGVDFYVAHAPERVMPGRIFKELVYNSRIIGGVSEKAANLAEKLYRSFVK-GRIFLTNATTAEMVKLMENTFRDVNIALANEFALLAHQYGVNVYEAIELANTHPRVKIHTPGIGVGGHCLPKDPYLLLSNAKEDFGL----IRIARRINERMPAFAAGLLFEALEKANIKPSEAIIAVLGLAYKGGTDDTRNSPALKFVEIIRNSVKEVRTYDPYVRGT---HD----SLEKVVEGA-DAIVIATDHPEFKSVNWESIGKSMRHKIII----------------

General information: TITO was launched using: RESULT: Template: 4R16.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 : 2065 25844 12.52 67.13 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 12.52 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_4R16.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R16-query.scw PDB file : Tito_Scwrl_4R16.pdb: