Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQYQMITREQCLYWDQEDELKKFKDEFALPE-GVIYLDGNSLGARPKKSLAVAQHIISQEWG-EDLINSWN-KADWWGLPTRLGDKVAKLVGAE-QGEVVISDSTTLNLFKVLSAAVKIQADKFPEHKIIVAEKDAFPTDIYIIEGFIDLIQKGYQVELID-------GVEDLSRALEKDVAVVVLSHVNYRTGYFYDMASINEQIHSKDALVIWDLCHSVGAVPMHLNQTDSDFAIGCTYKYLNGGPGSPALLWVNEKHRDQFWQPLSGWWSHKKPFDMAQHYEPANSIRRYLCGTQPVISMSLIECGVDIFLHADMQKIREKSLKLTDLFIQLVHQECSEFGFELITPLDHKHRGSHVSYRHEF--GYEIIQALIARGVIGDYR------------EPAVLRFGITPLYLGFEDIWNAVQHLKATMLNSEWKNKEYLVRGEVT 4LW2 Chain:B ((8-402)) ------------------NPAQFRAQFPALQDAGVYLDSAATALKPEAVVEATQ-QFYSLSAGNVHRSQFAEAQRLTARYEAAREKVAQLLNAPDDKTIVWTRGTTESINMVAQCYARP---RLQPGDEIIVSVAEHHANLVPWLMVAQQTGA--KVVKLPLNAQRLPDVDLLPELITPRSRILALGQMSNVTGGCPDLARAITFAHSAGMVVMVDGAQGAVHFPADVQQLDIDFYAFSGHKLY-GPTGI-GVLYGKSELLEAMSPWLGGGKMV-HEVSFD-GFTTQSAPWKLEAGTPNVAGVIGLSAALEWLADYDINQAESWSRSLATLAEDALAKR---PGFRSFRC----QDSSLLAFDFAGVHHSDMVTLLAEYGIALRAGQHCAQPLLAELGVTGTLRASFAP-YNTKSDVDALVNAVDRALELL--------------

General information: TITO was launched using: RESULT: Template: 4LW2.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 : 2012 -24665 -12.26 -66.66 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -12.26 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_4LW2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LW2-query.scw PDB file : Tito_Scwrl_4LW2.pdb: