Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQYQMITREQCLYWDQEDELKKFKDEFALPEGVIYLDGNSLGARPKKSLAVAQHIISQEW-GEDLINSWN-KADWWGLPTRLGDKVAKLVGAEQGEVVISDSTTLNLFKVLSAAVKIQADKFPEHKIIVAEKDAFPTDIYIIEGFIDLIQKGYQVELID-------GVEDLSRALEKDVAVVVLSHVNYRTGYFYDMASINEQIHSKDALVIWDLCHSVGAVPMHLNQTDSDFAIGCTYKYLNGGPGSPALLWVNEKHRD-----QFWQPLSGWWSHKKPFDMAQHYEPANSIRRYLCGTQPVISMSLIECGVDIFLHADMQKIREKSLKLTDLFIQLVHQECSEFGFELITPLDHKHRGSHVSYRHEF--GYEIIQALIARGVIGDYRE-----------------------PAVLRFGITPLYLGFEDIWNAVQHLKATMLNSEWKNKEYLVRGEVT 3VAX Chain:A ((22-379)) ---------------------------------TYLDAAATTRVDQRVADIVL-HWMTAEFGNAG-SRHEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYG--ERTGRRHIITSAIEHKAVLEPLEHLA-GRGF--EVDFLTPGPSGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGDLT-TPIDMISISGHKI-GAPKGV-GALVTRRREEMDDERVPLEPIMFGGG----------------QERKLRPGTLPVPLIMGLAEAAKIFEAE-HAQWQVAAQDLRSRLLAGLAST----SFQVNGDQD-HVVPHILNLSFEDVDAEAFLVTLK-DLVAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFSWTP-G----------------------------------

General information: TITO was launched using: RESULT: Template: 3VAX.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 : 1638 -2559 -1.56 -8.02 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -1.56 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_3VAX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VAX-query.scw PDB file : Tito_Scwrl_3VAX.pdb: