Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEPILHIEGLDKKIGSKQILKQISMDVMEGEIIGLLGPNGSGKTTLIRIIVGLLKQNSGSVTISGFQHDTEFEKAMEAVGAIVENPEFYPYLTGWENLKHFANMHKKIADERLDEVVER----VGLTSAIHDKVKTYSLGMRQRLGIAQAILHRPKLLILDEPTNGLDPAGMKDFRDHIKELAEMEGTAVLFATHLLREVEDLCDRVIIIQKGEIKAEVSLQGTDQTTEKAIIEVQPQEKALNWLTGNQYQAESQDGTIVVEVAKENIPELNRSLVGQDLNVFSITPYTQSLEDEFIKATTAHQEEGEELV 1VPL Chain:A ((18-224)) -------VKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSE-IEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQ-ASQEGLTILVSSHNMLEVEFLCDRIALIHNGTI------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1VPL.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 : 1018 -130769 -128.46 -644.18 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -128.46 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_1VPL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VPL-query.scw PDB file : Tito_Scwrl_1VPL.pdb: