Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKATQSKAWTTVQIARHPERPQ-FLDYVGEIFTE--FDALHGDRLFGDDGAMVGGLARFDGQPVMVIGQHRGRSTREKLKHNFGMCNPEGYRKSQRLLDMAERFNLPVFTFIDTMGAYPGVGAEERGQAEAIATSLAQLSSLKVPVIATVLGEGGSGGALGIG----VADRVIMLSHSIYSVISPEGCASILWKTAEK----------A-AQASEAL--GLTADKLQSLGIVEYVVDEGEGAHLDPERVMQNLKVVLKQALDELLPMDANERCEARYQRLMKFGSENLGMAS 5INI Chain:F ((296-523)) ---------------PDSEQQVYDMADVITAVLDDGDYLEIHPD--FA--RNIICALGRVEGHSVAVVANQP--------RHLAGVLDIDASEKAARFIRFCDSFNIPVLTFMDVPGYLPGVGQEHQGIIRRGIKLFYAYAESTVPKITVITRKAYGGGYAVMGSRQIGADRVMAWPTAEIAVMGANSAVPILHRRELAAVPPEERAAVKENLVDDYRRRFGNPYEAAAHGYVDMVIS-P-----------SRTRYEVARALASLRN--------------------------

General information: TITO was launched using: RESULT: Template: 5INI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1022 -12044 -11.78 -57.90 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain F : 0.73 3D Compatibility (PKB) : -11.78 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_5INI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5INI-query.scw PDB file : Tito_Scwrl_5INI.pdb: