Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPSSAPPWGPGPHDPAPYSTIAAHNCTAECVDGPTSGSATHNRSTSPRGQPAGGDTASPTPASVEVLGRKTQHRRCSTSPPLKPLMKEAVLARALEKPRCTLASAAMESTGDPPHPSKDSDAETSACIRATCTGSRTRVDHAPPLSLSATVSSVQQHLGMIPQVASSNSASYQASASAPSTPSNRKEASKMQRRSSSAFMSRLPSDTRLRTSLLAAFGVQHAETHGRCDAPSHAPLPVRGSLSMTNSTDVTPVASDTHFRRSVNEGCSTVESHCTATAAASCVVVRAPSGAFRALPHPSIWLNTSLAGIGGVPSFNSSTPSTNASVLKDRHSSGTGTCEVPSESSLLPPFRTSSLDRDGVGAEDCGSEASGTASTSATVEVLHSGDANPVTGDRCSRLPSGRSINTSVSGEVGGFAPDASGTSTAHHTCAESNSSAGGGAELQGAGCSFGWRMFSSLTSQRGGGGGGAPAPSLGIFQSGLYLSMDEGDVSPAPALEVPMTPQSFSTMLLARESSEGAQHPVRAGSATSATTTNGARSSSLAVQEGNDTMLRQSSQQVPIVSQLAEDAWSGGGVAANGIEDWCVDGGSRDSREARTTSTTHTSGVGSHPCLVPGSGSGRCVIGGCCATPLSSFQLLGGSSKQEMPTSALDTDEIPSTPTDISALPYPPPPPLSARRRRQRRACHHCDGGNAVSSNSRVDLETGVIETDTLERARAVSKDGSRAYEIVNGKYVMYDYELGRGSYATVRLCYNLADGHFYAVKVLDRVRLKRRQLGSEAGLCKIDQEIAMMKQVQHKNIIALHEVIRDPSMRYVYLVLELAESREVLSMRDNGDVLPRGDDDGAATAYPEAAAREMVKGLLQALMYIHYLGVAHRDIKPSNVLR--TADGTVKLCDFGVSVLVGDAPMQLSREGSVAFLAPELLLSSEVEVSRFLTPDDSSLGSTRNKSATHMLADSALATA---TRNARTTVTSTTTATSATELASTGGPASPKEEGAKWTQRLMSSFAGAALQ--PNARAAASRAPGREIASPGGGAPSAIPPWPSSASLPKRGGGGGAARRASFRTLSLSPCGAAARECAAAIATAAVSPCAGGAAAVTPPTGAYSPSTPAAQPFSDLSKSAGNAPVDLLKADVFALGVTVYTLLLGHLPWRASSAVSQRAAILAEPDPFLRLYKAAYGDAYVGPPQVREACMPRCDVLGSDAIPASSHASTSASGKDGRGASYGTANAELSDGQWAIAAEKDDVVTPAPVTALPCKWRHLSNTGTTPDECTSEQEKCTPTAAKLTAAPQPHRNAPTRSDRNSAQPVGERSTAAAALPRPATQLLAKKATTSESRAPKDLAESPSDDHNPRAPFEAPPPPMPPQQERHLHRFQWRPFMDVVLGSAPIKTATAAGTAITQQAQVTVRHRRGGGGELVDGDLRQTNATTTCIRSRAPAVKMLLSRAATQPRFGSVVQVPHSLAICGDERATWEAQGAAMSGPAVAPPLRPRGPTTTPDQLYPYRGILDVDDDDWMKADESDVVQGMKESAINAEQWVPGSSSDLLRTVPSSAVTGTRSNDSEADSASDCDSSTTTVPCSAAKSTASSLPSDDDEDLESCESIYERLFEMEQPCRAYTVVEHMPLPTMSGTSREISGEAVDFVRSCLCLDPAERRTVFELFRHPWIRGGEGAMLAEAGTSAGSP 2X4F Chain:A ((91-347)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VSKT-EILG-----QVHKCEETATGLKLAAKIIKTRGMK--------DKEEVKNEISVMNQLDHANLIQLYDAFES--KNDIVLVMEYVDGGELFDRIIDE-----------SYNLTELDTILFMKQICEGIRHMHQMYILHLDLKPENILCVNRDAKQIKIIDFGLARRYKPREKLKVNFGTPEFLAPEVVNY---DFVSFP-TDMWSVGVIAYMLLSGLSPFLGDNDAETLNNILACRW-----------------DL-EDEEFQDIS-EEAKEFISKLLIKEKSWRISASEALKHPWLS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2X4F.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 : 1164 -85622 -73.56 -349.48 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -73.56 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.237

(partial model without unconserved sides chains): PDB file : Tito_2X4F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X4F-query.scw PDB file : Tito_Scwrl_2X4F.pdb: