Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVTFFIGEERLKIKIGLASICLLGLATSHVAANETEVAKTSQDTTTASSSSEQNQSSNKTQTSAEVQTNAAAYWDGDYYVKDDGSKAQSEWIFDNYYKAWFYIN--SDGRYSQNEWH----GNYYLKSGGYMAQNEWIYDSNYKSWFYLKSDGAYAHQEWQLIGNKWYYFKKWGYMAKSQWQ---GSYFLNGQGAMIQNEWLYDPAYSAYFYLKSDGTYANQEWQKVGGKWYYFKKWGYMARNEWQ---GNYYLTGSGAMATDEVIMDGARYIFAASGELKEKKDLNVGWVHRDGKRYFFNNREEQVGTEHAKKIIDISEHNGRINDWKKVIDENKVDGVIVRLGYSGKEDKELAHNIKELNRLGIPYGVYLYTYAENETDAENDAKQTIELIKKYNMNLSYPIYYDVENWEYVNKSKRAPSDTDTWVKIINKYMDTMKQAGYQNVYVYSYRSLLQTRLKHPDILKHVNWVAAYTNALEWENPYYSGEKGWQYTSSEYMKGIQGRVDVSVWY 2BIB Chain:A ((313-516)) ------------------------------------------------------------------------------------------GWHKSAY-GNWWYQAPDSTGEYAV-GWNEIEGEWYYFNQTGILLQNQWKKWN--NHWFYLTDSGASA-KNWKKIDGIWYYFNKENQMEIGWVQDKEQWYYLDVDGSMKT-GWLQYM--GQWYYFAPSGEMK-MGWVKDKETWYYMDSTGVMKTGEIEVAGQHYYLEDSGAMKQGWHKKANDWYFYKTDGSRA------VGWIKDKDKWYFLKENGQLLV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BIB.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 : 713 2354 3.30 12.26 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 3.30 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.353

(partial model without unconserved sides chains): PDB file : Tito_2BIB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BIB-query.scw PDB file : Tito_Scwrl_2BIB.pdb: