Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDFLNKRFWKYRGKRIRPYMRNNVKLAGAIIFVPVFLLSMFLFWREQLIHFDLSQVIKNFEWNVPLIIKSVLCSVLIAVGSIVASYFLLFDSYKKILHRQKIAKMIFSNKFYEKENVKVRKIFSNETDSKEKITYFPRMYYQVKNNHIYIRIAMDMSRFQNRFLDLGKDLENGLFCDLVDKQMEEGFVCFKLLYDVKKNRISIDDAVAENGVLPLMKHISWQFDKLPHMLIAGGTGGGKTYFMLTIIKACV--GLGADVRIL--DPKNADLADLEEV--LPKKVYSQKNGILMCLRKSVDGMMERMDEMKQMSNYKTGENYAYLGLKP----------------------------VFIFFDEYVAFMDLLDMKERNEALSYMKQLVMLGRQAGYFLVLGAQRPDAKYLADGIRDQFSFRVSLGLMSDTGYGMMFGDVEKAYVNKKETGRGYANVGTGSVLEFYSPIVPKGYDFMSSIKNALVGVEGAQATAVASGSVSDQTASGEGVSEANG 2IUT Chain:A ((70-477)) ---LPPLSLLDPAEVKQKSYSPESLEAMSRLLEIKLKEFGV----EVSVDSVHPGPVITRFEIQPAAGVKVSRISNL----------------------AKDLARSLAVISVRVVEVIPGKTTVGIEIPNE-------------DRQMVRFSEVLSSPEYDEHKSTV----------------------PLALGHDIGGRPIITD------------------LAKMPHLLVAGTTGSGKSVGVNAMLLSILFKSTPSEARLIMIDPKMLELSIYEGIPHLLCPVVTDMKEAANALRWSVAEMERRYRLMAAMGVRNLAGFNRKVKDAEEAGTPLTDPLFRRESPDDEPPQLSTLPTIVVVVDEFADMMMI----VGKKVEELIARIAQKARAAGIHLILATQRPSVDVITGLIKANIPTRIAFQVSSKIDSRTILDQ-----------GGAEQLLGHGDMLYL-----PPGTGLPIRVHGAFVSDDEVHRVVEAWKLRGAPDYIEDILA----

General information: TITO was launched using: RESULT: Template: 2IUT.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 : 2008 -230010 -114.55 -615.00 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -114.55 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.348

(partial model without unconserved sides chains): PDB file : Tito_2IUT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IUT-query.scw PDB file : Tito_Scwrl_2IUT.pdb: