Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNIIRLLAESLPRISDGNENTDVWVNDMKFKMAYSFLNDDIDVIERELEQTVRSDYPL-LSEAGLHLLQAGGKRIRPVFVLLSGMFGDYDINKIKYVAVTLEMIHMASLVHDDV--IDDAELRRGKPTIKAKWDNRIAMYTGDYMLAGSLEMM---TRINEP-KAHRILSQTIVEV-----CLGEIEQIKDKYNMEQNLRTYLRRIKRKTALLIAVSCQLGAIASGADEKIHKALYWFGYYVGMSYQIIDDILDFTSTEEELGKPVGGDLLQGNVTLPVLYALKNPALKNQLKLINSETTQEQLEPIIEEIKKTDAIEASMAVSEMYLQKAFQKLNTLPRGRARSSLAAIAKYIGKRKF 3KRO Chain:D ((15-272)) --------------------------------------------VNKALEAAVQMKEPLKIHESMRYSLLAGGKRVRPMLCIAACELVGGDESTAMPAACAVEMIHTMSLMHDDLPCMDNDDLRRGKPTNHMAFGESVAVLAGDALLSFAFEHVAAATKGAPPERIVRVLGELAVSIGSEGLVAGQVVDVCSEGMAEVGLDHLEFIHHHKTAALLQGSVVLGAILGGGKEEEVAKLRKFANCIGLLFQVVDDILDVTKSSKELGKTAGKDLVADKTTYPKLIGVEKS--KEFADRLNRE-AQEQL-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KRO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1214 23611 19.45 95.98 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.69 3D Compatibility (PKB) : 19.45 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.326

(partial model without unconserved sides chains): PDB file : Tito_3KRO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KRO-query.scw PDB file : Tito_Scwrl_3KRO.pdb: