Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSIPSVEIDSSDHVAKTTKTTCPYCGVGCGVSVNVQQKPQGPVVQVEGDAEHPSNFGRLCIKGSRLADTLGLETRVLQPMMGR-KADRV-VTTWDAAINKIADKFQSCIDNYGRDSIAFYVSGQLLTEDYYVVNKFVKGYLGTANIDTNSRLCMSSAVAGHKRSFGEDLVPASYEDFEHSDMVVLVGSNTAWCHPVLYQRIMQAKSHNPDMFVVVIDPRFTSTCEQADLHLPILPGQDVALFNGLFQYLYQNGHADQDFVDAYTEGLQEVLASSEAEA--------NVEYVAKRTGIALDKLQQFFEKFAQTEKVITLFSMGVNQSSQGVNKANSIINCHLLTGKIGKLGAAPFSMTGQPNAMGG-REVGGLANMLAAHMDLDNPLHQEVVQTFWDSP--FIATQAGLKAVDLFRAVEAGKIKAIWIMATNPVVSLPDADQVKRALEKCE-LVVVSDICADTDTTAYADILLPALGWGEKDGTVTNSERRISRQRAFLPAPGEAKADWWAMSQVAKKLGF--KGFDFNSAVDIFNEHAALSAQDNADI--NTREQTDTFRYFNLKGLMSLSTAEYDALQPVQWPVWDKKQDAKAVQQLFGKGQFSHKNAKAKLI--------ATVAINPVHAISE----DYPLILNTGRIRDQWHTMNRTGLSPNLTSHRAEPFCEIHPSDALKFGVRDQGLVEVRSKWGSCVLRVTFSSGVRRGQIFAPIHWTEQVASDARIGKVVNPEVDAISGEPEFKHTPVTIQLFYTTWQGVLYIREGYDSHIQESLHHCAWWTKVKMVKTNRYELADRQTFHDTQKNLKSFLPFADETFEWLSIEDISSQLSHSIILKDGIVIASLYIAPPDLLPDRDWVASMFKRERLSALHRKALLAGMPMSATNNDGPLVCGCFKVGKNKIIEAIKTQNITHEKQVTACLKAGGNCGSCLPEIRGLIKACQQEVEV 2V45 Chain:A ((7-714)) ----------------KWVKGVCRYCGTGCGVLVGVKD---GKAVAIQGNPNN-HNAGLLCLKGSLLIPVLNSKERVTQPLVRRHKGGKLEPVSWDEALDLMASRFRSSIDMYGPNSVAWYGSGQCLTEESYVANKIFKGGFGTNNVDGNPRLCMASAVGGYVTSFGKDEPMGTYADIDQATCFFIIGSNTSEAHPVLFRRIARRKQVEPGVKIIVADPRRTNTSRIADMHVAFRPGTDLAFMHSMAWVIINEELDNPRFWQRYVNFMDAEGKPSDFEGYKAFLENYRPEKVAEICRVPVEQIYGAARAFAESAATMSLWCMGINQRVQGVFANNLIHNLHLITGQICRPGATSFSLTGQPNACGGVRDGGALSHLLPAGRAIPNAKHRAEMEKLWGLPEGRIAPEPGYHTVALFEALGRGDVKCMIICETNPAHTLPNLNKVHKAMSHPESFIVCIEAFPDAVTLEYADLVLPPAFWCERDGVYGCGERRYSLTEKAVDPPGQCRPTVNTLVEFARRAGVDPQLVNFRNAEDVWNEWRMVSKGTTYDFWGMTRE-----RLRKESGLI--------------WPCPSEDHPGTSLRYVRGQDPCVPADHPDRFFFYGKPDGRAVIWMRPAKGAAEEPDAEYPLYLTSMRVIDHWHTATMTGKVPELQKANPIAFVEINEEDAARTGIKHGDSVIVETRRDAMELPARVSDVCRPGLIAVPFFDPKKL-----VNKLFLDATDPVSREPEYK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2V45.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 : 4359 37180 8.53 54.84 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 8.53 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.463

(partial model without unconserved sides chains): PDB file : Tito_2V45.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2V45-query.scw PDB file : Tito_Scwrl_2V45.pdb: