Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELE-GDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVW--DGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW 3KRU Chain:B ((4-335)) ----LHMPLKIKDITIKNRIMMSPMCMYSA-STDGMPNDWHIVHYATRAIGGVGLIMQEATAVESRGRITDHDLGIWNDEQVKELKKIVDICKANGAVMGIQLAHAGRKCNISYEDVVGPSPIKAGDRYKLPRELSVEEIKSIVKAFGEAAKRANLAGYDVVEIHAAHGYLIHEFLSPLSNKRKDEYGNSIENRARFLIEVIDEVRKNWPENKPIFVRVSADDYMEGGINIDMMVEYINMIKDK-VDLIDVSSGGLLNVDINLYPGYQVKYAETIKKRCNIKTSAVGLITTQELAEEILSNERADLVALGRELLRNPYW---VLHTYTSKEDWPKQYERAF

General information: TITO was launched using: RESULT: Template: 3KRU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1991 -50376 -25.30 -153.12 target 2D structure prediction score : 0.80 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -25.30 2D Compatibility (Sec. Struct. Predict.) : 0.80 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.700

(partial model without unconserved sides chains): PDB file : Tito_3KRU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KRU-query.scw PDB file : Tito_Scwrl_3KRU.pdb: