Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGESTSLKEILSTLTKRILLIMIVTAAATAAGGLISFFALTPIYENSTQILVNQSKNERKEVQFNDVQTNLQLINTYNVIIKSPAILDEVIKEMGLSMTSQELNDKITVSSEQDSQVVNISVRDENAETAAHIANTIASVFQDKITSIMNVDNVSILSKAEVSEHPSPVSPKPLLNIAIAFAAGLAGSIGLA---------FLLEHLDNTIKSEEQLESL---LDIPVLGTVSTIANEQKTAKTLQGFQSEKTGSGHFGA 3GMD Chain:A ((95-195)) -----------------------------------------------------------------------------------------------------------------------------------HITQTSLSLFHDDIHSVRRVMEVNFLSYVVMSTAALPMLKQS--NGSIAVISSLAGKVTYPMVAPYSASKFALDGFFSTIRTELYITKVNVSITLCVLGLIDT--------------------------

General information: TITO was launched using: RESULT: Template: 3GMD.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 : 246 -14097 -57.30 -158.39 target 2D structure prediction score : 0.28 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -57.30 2D Compatibility (Sec. Struct. Predict.) : 0.28 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.142

(partial model without unconserved sides chains): PDB file : Tito_3GMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GMD-query.scw PDB file : Tito_Scwrl_3GMD.pdb: