Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDALCLQFFYEKGVIMSILTLNNITQQFGDKILYEGVDLQLNAGEHLGLIGQNGAGKSTLIKIITGEILPDDGQIHWQKNIHKGYLDQYVEVDETLTIEEFLKTAYAKEYEKEEKIAFLYQTYSETFDDSLLEKAGKLQTELDQ-GVFYQIDTLVAEMSSGLGIDVLGLDSLLKNLSGGQRSKVILAKLLLENPDVLILDEPTNHLDDQHIQWLTQFLQDF--DGAYIVISHDQEFLDQITTHIADIEFGKITKYTGHLKQALKQKEQNRESYLRQYHAQQKQIEKTEAYIRKYKAGSRSTMAKSRQKQLDKIERLTPPASASKAVFDFPFSPIVTTLAVETTDLVIGYDRPLLAPINLTIRFGENIAIRGFNGIGKSTLLKTLIGEIEKISGDFHFPDNTKINYFSQDLYWENPLETPLQYL--SSQFPKATIKELRRQLAKAGLVNQLASEPLTTLSGGEQTKVKLAQLTMNQGNLLILDEPTNHIDQETKESLQDGIQKF----PGTVIIVSHEQEFYQDLVQRVIEIEPK 3OZX Chain:A ((28-457)) ----------------------------------------------LGVLGKNGVGKTTVLKILAGEIIPNFGDPN-----SKVGKDEVLKRFRGKEIYNYFKELYSNELKIVHKIQ--YVEYASKF---LKGTVNEILTKIDERGKKDEVKELL-NMTNLWNKDA-------NILSGGGLQRLLVAASLLREADVYIFDQPSSYLDVRERMNMAKAIRELLKNKYVIVVDHDLIVLDYLTDLI-HIIYGESSVY-GRVSKSYAAR-VGINNFLKGYLP-----------------------AENMKIRPDEIKFML------K----------LKT-KMKWTKIIKKLGDFQLVVDNGEAKEGEIIGILGPNGIGKTTFARILVGEITADEGSVT-PEKQILSYKPQRIF-PNYDGTVQQYLENASKDALSTSSWFFEEVTKRLNLHRLLESNVNDLSGGELQKLYIAATLAKEADLYVLDQPSSYLDVEERYIVAKAIKRVTRERKAVTFIIDHDLSIHDYIADRII-----

General information: TITO was launched using: RESULT: Template: 3OZX.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 : 2088 57668 27.62 140.31 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 27.62 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.316

(partial model without unconserved sides chains): PDB file : Tito_3OZX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OZX-query.scw PDB file : Tito_Scwrl_3OZX.pdb: