Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKPISLYIGLRYTRARRSNHFISFIALVSMVGLTLGVAVLITVLSVMNGFDRELKNRVLGMVPQATVSSTQILTDWPELVKRVE-NHPHMTGVAPFTQLQG-MLT-AQGQVAGIMVTGIDPKYEKNVSIIQNHIVAGSLDSLKKGEFGIVLGKDMADSLGL-RLNDSVTLVLPEATPSPAGVVPRFKRFKVVGIFSVG-A-EVDSMVGYIALYDASTLLRLPDGAQGVRLKLDDIFAAPQVADDIVKNLPSNFYATNWTYTHGNLFNAIQMEKTLVGLLLVLIIVVAAFNIVSSLVMVVTDKKSDIAILRTLGASPSMITKIFMVQGTVIGVIGTVAGTVLGVILALTISDIISWFNNVLGLNLFDAYFVHYLPSYLRWKDVTIIVIVSLLLSFLATIYPALRAAKVQPAEALRYE 3IS6 Chain:A ((44-165)) --------------------------------------------------------------------------------APAIQEEIPGVELATRTTLYGTSKMILEDNKTYETKTLLAEPAFLDMF-G--VELIAGVRDSALRDNMTCLISESLARKMGGDVLGKRLRPAES----------KSDRAITIGGVFEDLPHNSSIQADMLLPITW----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3IS6.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 : 481 10152 21.11 87.52 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : 21.11 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.416

(partial model without unconserved sides chains): PDB file : Tito_3IS6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IS6-query.scw PDB file : Tito_Scwrl_3IS6.pdb: