Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAINKAVSIDTAFQTIMQELRERSARFLGTKQAVSEEKAEFDCPYCKDRGIVVYRVHKDTSWHLDEQLDLMVPDDMVSEDDFLLGKVCTPDKASEWKDTYSKQCECVRRKKIARLMAASGITEEFEKLLFGNFITDGKPDMIKDAYECAVEYYKDFQKIKGERQNSIALLGQPGSGKTHLLTAIMNNLIKKKSVHCMYFPYVEGMGDLKANFDNLEAKLDAMRKVEVLFIDDLFKPINGQPRATDWQVEQIQSVLNYRYLNHKPLLISSELTIDEILDIDEALGSRIHQMCRDYIVIIRGDRMQLNHRLGDWE 1IN7 Chain:A ((45-128)) -------------------------------------------------------------------------------------------------------------------------------------------------------------KMRGEVLDHVLLAGPPGLGKTTLAHIIASEL--QTNIHVTSGPVLVKQGDMAAILTSLE-------RGDVLFIDEIHR------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1IN7.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 : 175 -27719 -158.39 -401.72 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -158.39 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_1IN7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IN7-query.scw PDB file : Tito_Scwrl_1IN7.pdb: