Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRKGNLSMTTQLQHLTLPEDIQQKLLSYKEQPISPEFQSLIGTSGYEAEDEAILFDAIIALAMGKNVLLKGPTGSGKTKLAETLSSYFHKPMHSVNCSVDLDAEALVGYKTIENQSGQATIEFVSGPVTKAMKEGHFLYIDEINMAKPETLPILNGVLDYRKM-------MTNPFTGEVIRAKSGFGVIAAINEGYVGTVPLNEALKNRFVIIDVPYIKGELLKQVLMSQSA-LKDEKLIDRFITLSSDLIVQANNGQVSEEAASIRALIDTCDLAAYIPPRRAIERGIVEKLDDDREKAAVRNIAETLFE 3VKG Chain:A ((590-1009)) --------------------------------------------------TDRCYLTLTQALESRMGGNPFGPAGTGKTETVKALGSQLGRFVLVFCCDEGFDLQAMSRIF------------------VGLCQCGAWGCFDEFNRLEERILSAVSQQIQTIQVALKENSKEVELL---NISLHQDMGIFVTMNPGYAGRSNLPDNLKKLFRSMAMIKPDREMIAQVMLYSQGFKTAEVLAGKIVPLFKLCQEQLSA--QSHYDFGLRALKSVLVSAGG---------------------------------

General information: TITO was launched using: RESULT: Template: 3VKG.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 : 840 -45349 -53.99 -229.04 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -53.99 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_3VKG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VKG-query.scw PDB file : Tito_Scwrl_3VKG.pdb: