Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNHPAAQPTNQTSSHSPASPSNTEPCEQQSLKQQLLKQQPLKEQSLKQQSREQQLHTWLNEVFPNQ-SLQHEKIPGDASFRSYHRLTVDNQHYIVMDAPPAK-ESVKEFIAVGNLMA-GYVHVPKMIATDEQQGFIVLEDLGNT-DFADVIAKDLTDAGELAKTARYYQQAMQEILAIQKIDINDAKAVIPSYDDALLRREMGLFSDWFLPYIGVKMTPDLETLWQDLQSDIIQQVI--AQPQVVVHRDFHSRNLMVLSHSDELGVIDFQDAVIGAYTYDLASLLRDAYINYDENWVNTHLAHYHQLAQLDKSLAEFTVDFNIMSMQRHLKVLGIFVRLFERD-GKDRYLVNLPKVFNDLLTCLKAISQWDKRPTFDKFADWMTAAAAPAFQQKIQG 3DXQ Chain:A ((4-298)) ----------------------------------------------------DEARAKLAAIPMLAGYTGPLERLGGLTNL-VFRA----GDLCLRIPGK--YINRANEAVAAREAAKAGVS-PEVLHVDPATGVMVTRYIAGAQTMSPEKFKT---------RPGSPARAGEAFRKLHGSGAVFP---FR-FEL---FAMIDDYLKVLS---NVTLPA-GYHDVVREAGGVRSALAAHPLPLAACHCDPLCENFLDTG--ERMWIVDWEYSGMNDPLWDLGDLSVEG--KFNANQDEELMRAYFGGEA----RPAERGRVVIYKAMCDLLWTLWGLIQLANDNPVDDFRAYADGRFARCKALME-------TPEFSRHLAAVR-------------

General information: TITO was launched using: RESULT: Template: 3DXQ.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 : 1357 -16456 -12.13 -58.35 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -12.13 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: