Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTENQNPLVLDKNEEISQQKADDIRLQLRQEPEVKRLAQQIDVKNQMELLEYGKEPAVEISKFSDRILGMMKTTSVTDSGTMLTQLGKIMDRFDKNDFDEPKGLMAKIFKRGGSMIEKIFKKYQTLGGEIEKIHVEISKYKDEMTKTNYTLDEMYENNIKYYMELEKYVVAGQMKLEEMQSILPSYEEKAASGNQLAQMQLDTLRNGIQALEERVYDLDMARMVALQTAPQIRLLQRGNAKLIGKINSAFIITIPIFKNGIIQAVTVKRQKLVADSMSELDRRTNEMLKRNAENISSQSVEIARMAGRPSIDIETIESSWNTIVSGMQETKQIEEENKRLREDGARRIAQLQDNIKKAALQQ 4O42 Chain:A ((21-156)) --------------------------------------------------------EFETIERFMDCRIGRKGATGATTTIYAVEADGDPNAGFEKNK--EPGEIQYLIKWKGWSHIHNTWETEETLKQQNVRGMKKLDNYKKKDQETKRWLKNASPEDVEYYNCQQELTDDLHKQYQIVERIIAHSNQKSAAG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4O42.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 : 396 1520 3.84 11.18 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 3.84 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.141

(partial model without unconserved sides chains): PDB file : Tito_4O42.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O42-query.scw PDB file : Tito_Scwrl_4O42.pdb: