Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQEKKTPLLHIENLRVSFKGEDKQYIETVKGISFDIPTNTTVALVGESGSGKSVTSLATMGLLPVGQSKIDEKSKIIFEGKDLLGLSRTEMRKICGKDIAMIFQEPMSSLNPVFTVGNQIAEVLCLHMGMSRKQARQRVLELLKEVGIPSPETKIDAYPNQLSGGQQQRVMIAMAIACEPKLLIADEPTTALDVTIQKQIIDLLESLRQRRQMSMLFITHDLALVGEIADQVIVMRHGEIREQGTAEQVLEQPKDVYTRALLYCRPQMSQRPYRLPVTSDFMRQENNILVEQSFDVSEIPERKRGLNGDEKIILEVKDLKKSFYSRKGLFGKEEFQVVKGVSFKLAKGKTLGLVGESGSGKTTVGLLLMRLHQASGGQALIEGKDILSLTEKEFAKYQRKIQIIFQNPYASLNPRFTIGQILLEPMQIHGIGKDDAERKQIALGLLERVNLLEQAYYRYPHEFSGGQRQRIAIARCLTLKPEILICDESVSALDVSVQAQVLNLLQDLQDEFGLSYIFISHDLSVVKYISDQVMVMNHGEVVEIANSDELYAHPQYDYTKRLLQAIPQGIQHVS 5X40 Chain:A ((14-255)) -------TPILAAEALTYAFPGG----VKALDDLSLAVPKGESLAILGPNGAGKSTLLLHLNGTL-------RPQSGRVLLGGTATGHSRKDLTG-WRRRVGLVLQDADDQLFAT-TVFEDVS-FGPLNLGLSEAEARARVEEALAALSISDLR---DRPTHMLSGGQKRRVAIAGAVAMRPEVLLLDQPTAGLDLAGTEQLLTLLRGLRA-AGMTLVFSTHDVELAAALADRVALFRTGRVLAEGAAEAVL---SDRATLAKVALRPPL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5X40.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 : 1285 -148194 -115.33 -612.37 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -115.33 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.565

(partial model without unconserved sides chains): PDB file : Tito_5X40.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X40-query.scw PDB file : Tito_Scwrl_5X40.pdb: