Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASHYEMFPAVVTRVEQLTPLIKRFTFKRQDGQNFPRFSGGSHIIVKMNEQLSNAYSLMSCTQDLSTYQVCVRKDVEGKGGSVFMHDQCNEGCE-IQISEPKNLFPLAETG-NKHILIAGGIGITPFLPQMDELAARGAEYELHYAYRSPEHAALLDELTQKHAGHIFSYVDSEGSMLNLDELISSQPK---------------GTHVYVCGPKPMIDAVIDCCN-KHRYRDEYIHWEQFASTVPEDGEAFTVVLAKSNQEIEVQSNQTILQAIETLNIDVACLCREGVCGTCETAILEGEAEHFDQYLSDAEKASQKSMMICVSRAKGKKLVLDL 4WQM Chain:A ((130-325)) -------------------------------------FSPGQYFMVDVPELGTRAYSAANPV-DGNTLTLIVKAVPNGKVSCAL----ANETIETLQLDGPYGLSVLKTADETQSVFIAGGSGIAPMVSMVNTLIAQGYEKPITVFYGSRLEAELEAAETLFGWKENLKLINVSSSVVGNSE--SSYPTGYVHEIIPEYMEGLLGAEFYLCGPPQMINSVQKLLMIENKVPFEAIHFDRF------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WQM.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 : 883 -27484 -31.13 -154.40 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -31.13 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_4WQM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WQM-query.scw PDB file : Tito_Scwrl_4WQM.pdb: