Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSAIKPRSTKKLSQIIVEQLIEKIQSGEFKVGEKIPTELELIETFEVSRSVIREAITELRSLGFVETRHG----IGTFVKEQTVEQNFLLSNASL-ETINDIISLLELRISLESEAVFLASERRKQIHIDKMKAALEDFERHISSDANDGTVKADYDFHIAIAEASENQYFVDFLKYLGEKIIPRARVKSIEQSPENREEYLKAVHHDHVNIYNAIVDQDGLLARQMMRAHLSKSIKKFKQ 2DI3 Chain:A ((2-227)) ---------SVKAHESVMDWVTEELRSGRLKIGDHLPSERALSETLGVSRSSLREALRVLEALGTISTATGSGPRSGTIITAAPGQALSLSVTLQLVTNQVGHHDIYETRQLLEGWAALHSSAERG--DWDVAEALLEKMDDPSLPLE--DFLRFDAEFHVVISKGAENPLISTLMEALRLSVADHTV-ARARA-LPDWRATSARLQKEHRAILAALRAGESTVAATLIKEHIEGYYEETA-

General information: TITO was launched using: RESULT: Template: 2DI3.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 : 865 14770 17.08 66.83 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 17.08 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_2DI3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DI3-query.scw PDB file : Tito_Scwrl_2DI3.pdb: