Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLTDPPSLGTAQAASVIAAAVRLLTKRTGA----EVTLVEVEDLGGTGQTLVVRARVGENPFSLPRTLVIKQTPPQGSREMFTREVVSYQFTTSLATGDRPGPELLAWDSEERVLIISDLGEATPMSQVLASQSGGEENALMAWAQRLGRMHAATAGREIDFAALLRRAKVPPSRDIIGQQVQGAVLALPRQLREQLSLETPEEVRAIAAKAKEL----------------FD-KGTMRAFSPADPGPDNILLTADQGVRFLDYEWGGFRDATLDIAYALVTYRGAMRKE---------E-SKEYWSELDQRIVQAWRAEAVAVW----PA-L-ADDVTLQKRVLGAMLIWVWLTTAWWLPGHGRDGAWSHRHSLSTPTPQALMARWEGLLGLANAAGDLAVAEHAETVIAALRAAWRW 3MES Chain:B ((52-412)) -------------------EIIIGICRKNIPGWKEINESYIEVKQIFSGLTNQLFVVSIVNE--LKHPRILFRIYGKHV-FYDSKVELDVFRYLSNI---NIA-PNIIADFPE--GRIEEFID-GEPLTTKQL----QLTHICVEVAKNMGSLHIINSKRADFPSR-FDK-EPIL--FKRIYLWREEAKIQVSKNN-QIDKELYSKILEEIDQLEELIMGGEKFSMERALELKLYSPAFSLVFAHNDLQENNLLQT-QNNIRMIDYEYSAINFAGADIANYFCEYIYDYCSEKQPYFKFKYEDYP--CEELRKLFISVYLSQTLQEQVMPSQQIVHIMTKAVEVFTLISHITWGLWSIA--------SVE----FDFTEYANTRFTHYLQKKKELIDQ-----------------------

General information: TITO was launched using: RESULT: Template: 3MES.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1308 -4998 -3.82 -16.23 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -3.82 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.343

(partial model without unconserved sides chains): PDB file : Tito_3MES.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3mes-query.scw PDB file : Tito_Scwrl_3MES.pdb: