Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRFFIADDDRAVRSILRQIIEDEDLGEAAGEADDGSQVEGHMLQFKQIDILLIDLLMPGRDGIETIRQIQNTYSGKIVMISQVEAKEMVGEAYSLGIEYFIHKPINRIEIVTVLQKVKERIELEHSIGAIQHSLSRLVNRTERKARPQQKSDSGLKEAGTFLLSELGMMGEGG----AHDLMAVLQYLAEHEQSEPHEKQSPSLKQIFTQVAVRKLGTGASQTEVNREMKASEQRIRRAIIHSLHHFASLGTTDFSNPKFETYASKFFDFPVVSQKMKELQSKDAKPLAPARINMKKFIHVFFLEAKLLHETMKQRRI 2GWR Chain:A ((7-207)) -RILVVDDDASLAEMLTIVLRGE--GFDTAVIGDGTQALTAVR-ELRPDLVLLDLMLPGMNGIDVCRVLRADSGVPIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRARLRRNDDEPAEMLSIADV-EIDVPA-HKVT-RNGEQISLTPLEFDLLVAL--ARKPRQVFTRDVLLEQVWG-YR----ADTRLVNVHVQRLRAKVEK---------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GWR.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 : 918 -110681 -120.57 -567.59 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -120.57 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.372

(partial model without unconserved sides chains): PDB file : Tito_2GWR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GWR-query.scw PDB file : Tito_Scwrl_2GWR.pdb: