Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTRADFIQFGAMIHGVGGTTDGWRHPDVDPSASTNIEFYMKKAQTAEKGLFSFIFIADGLFISEKSIPHFLNRFEPITILSALASVTKNIGLVGTFSTSFTEPFTISRQLMSLDHISGGRAGWNLVTSPQEGAARNHSKSNLPEHTERYEIAQEHLDVVRGLWNSWEHDAFIHNKKTGQFFDQAKLHRLNHKGKYFQVEGPLNIGRSKQ-GEPVVFQAGSSETGRQFAAKNADAIFTHSNSLEETKAFYADVKSRAADEGRDPSSVRIFPGISPIVADTEEEAEKKYREFAELIPIENAVTYLARFFDDYDLSVYPLDEPFPDIGDVGKNAFQSTTDRIKREAKARNLTLREVAQE---MAFPRTLFIGTPERVASLIETWFNAEAADGFIVGSD-IPGTLDAFVEKVIPILQERGLYRQDYRGGTLRENLGLGIPQHQSVLHSSHH 1NQK Chain:A ((2-360)) -----SLNMFWFLPT---HGDGHYLGTEEGSRPVDHGYLQQIAQAADRLGYTGVLIPTGR-----------SCEDAWLVAASMIPVTQRLKFLVALRPSVTSPTVAARQAATLDRLSNGRALFNLVTGSDPQELAGDGVF--LDHSERYEASAEFTQVWRRLLQR---------------------ETVDFNGKHIHVRGAKLLFPAIQQPYPPLYFGGSSDVAQELAAEQVDLYLTWGEPPELVKEKIEQVRAKAAAHGRK---IRFGIRLHVIVRETNDEAWQAAERLISHLDDE-TIAKAQAAFA-R------------------------------D---NLEISPNLWAGVGLVRGGAGTALVGDGPTVAARINEYAAL-GIDSFVLSGYPHLEEAYRVGELLFPLLDVAIPEIPQPQ------------------------

General information: TITO was launched using: RESULT: Template: 1NQK.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 : 1889 -91816 -48.61 -272.45 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -48.61 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_1NQK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NQK-query.scw PDB file : Tito_Scwrl_1NQK.pdb: