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 3KRP Chain:D ((15-272)) --------------------------------------------VNKALEAAVQMKEPLKIHESMRYSLLAGGKRVRPMLCIAACELVGGDESTAMPAACAVEMIHTMSLMHDDLPCMDNDDLRRGKPTNHMAFGESVAVLAGDALLSFAFEHVAAATKGAPPERIVRVLGELAVSIGSEGLVAGQVVDVCSEGMAEVGLDHLEFIHHHKTAALLQGSVVLGAILGGGKEEEVAKLRKFANCIGLLFQVVDDILDVTKSSKELGK-----------TYPKLIGVEKS--KEFADRLNRE-AQEQL-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KRP.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 : 1120 17785 15.88 75.68 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain D : 0.68 3D Compatibility (PKB) : 15.88 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_3KRP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KRP-query.scw PDB file : Tito_Scwrl_3KRP.pdb: