Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSIPSVEIDSSDHVAKTTKTTCPYCGVGCGVSVNVQQKPQGPVVQVEGDAEHPSNFGRLCIKGSRLADTLGLETRVLQPMMGR--KADRVVTTWDAAINKIADKFQSCIDNYGRDSIAFYVSGQLLTEDYYVVNKFVKGYLGTANIDTNSRLCMSSAVAGHKRSFGEDLVPASYEDFEHSDMVVLVGSNTAWCHPVLYQRIMQAK-SHNPDMFVVVIDPRFTSTCEQADLHLPILPGQDVALFNGLFQYLYQNGHADQDFVDAYTE---------GLQEVLASSEAEANVEYVAKRTGIALDKLQQFFEKFAQTEKVITLFSMGVNQSSQGVNKANSIINCHLLTGKIGKLGAAPFSMTGQPNAMGGR-EVGGLANMLAAHMDLDNPLHQEVVQTFWDSPF--IATQAGLKAVDLFRAVEAGKIKAIWIMATNPVVSLPDADQVKRALEKCE-LVVVSDICADTD-TTAYADILLPALGWGEKDGTVTNSERRISRQRAFLPAPGEAKADWWAMSQVAKKLGFK-G-FDFNSAVDIFNEHAALSAQDNADINTREQTDTFRYFNLKGLMSLSTAEYDALQ---PVQWPV-WDKKQDAKAVQQLFG--------------KGQFSHKNAKAKLIATVAINPVHAISEDYPLILNTGRIRDQWHTMNRTGLSPNLTSHRAEPFCEIHPSDALKFGVRDQGLVEVRSKWGSCVLRVTFSSGVRRGQIFAPIHWTEQVASDARIGKVVNPEVDAISGEPEFKHTPVTIQLFYTTWQGVLYIREGYDSHIQESLHHCAWWTKVKMVKTNRYELADRQTFHDTQKNLKSFLPFADETFEWLSIEDISSQLSHSIILKDGIVIASLYIAPPDLLPDRDWVASMFKRERLSALHRKALLAGMPMSATNNDGPLVCGCFKVGKNKIIEAIKTQNITHEKQVTACLKAGGNCGSCLPEIRGLIKACQQEVEV 2V45 Chain:A ((6-723)) ---------------EKWVKGVCRYCGTGCGVLVGVKDG---KAVAIQGNPNNH-NAGLLCLKGSLLIPVLNSKERVTQPLVRRHKGGKLEPVSWDEALDLMASRFRSSIDMYGPNSVAWYGSGQCLTEESYVANKIFKGGFGTNNVDGNPRLCMASAVGGYVTSFGKDEPMGTYADIDQATCFFIIGSNTSEAHPVLFRRIARRKQVEP-GVKIIVADPRRTNTSRIADMHVAFRPGTDLAFMHSMAWVIINEELDNPRFWQRYVNFMDAEGKPSDFEGYKAFLEN-YRPEKVAEICRVPVEQIYGAARAFAESAATMSLWCMGINQRVQGVFANNLIHNLHLITGQICRPGATSFSLTGQPNACGGVRDGGALSHLLPAGRAIPNAKHRAEMEKLWGLPEGRIAPEPGYHTVALFEALGRGDVKCMIICETNPAHTLPNLNKVHKAMSHPESFIVCIEAFP-DAVTLEYADLVLPPAFWCERDGVYGCGERRYSLTEKAVDPPGQCRPTVNTLVEFARRAGVDPQLVNFRNAEDVWNEWRMVSKG--------------TTYDFWGMT------RERLRKESGLIWPCPSEDH---PGTSLRYVRGQDPCVPADHPDRFFFYGKPDGRAVIWMRPAKGAAEEPDAEYPLYLTSMRVIDHWHTATMTGKVPELQKANPIAFVEINEEDAARTGIKHGDSVIVETRRDAMELPARVSDVCRPGLIAVPFFDP-----KKLVNKLFLDATDPVSREPEYKICAARVRKA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 4399 27692 6.29 40.66 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 6.29 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.460

(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: