Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAFESLTERLQNVFKNLRKKGKISESDVQEATKEIRLALLEADVALPVVKDFIKKVRERAVGHEVIDTLNPAQQIIKIVDEELTAVLGSDT--AEIIKSPKIPTIIMMVGLQGAGKTTFAGKLANKLKKEENARPLMVAADIYRPAAIDQLKTLGQQIDVPVFALGTE-VPAVEIVRQGLEQAQTNHNDYVLIDTAGRLQIDELLMNELRDVKALA------QPNEILLVVDAMIGQEAANVAREFNAQLEVTGVILTKIDGDTRGGAALSVRHITGKPIKFTGTGEKITDIETFHPDRMSSRILGMGDMLTLIEKASQEYDEQKALEMAEKMRENTFDFNDFIDQLDQVQNMGPMEDLLKMIPGMANNPALQNMKVDERQIARKRAIVSSMTPEERENPDLLNPSRRRRIAAGSGNTFVEVNKFIKDFNQAKQLMQGVMSGDMNKMMKQMGINPNNLPKNMPNMGGMDMSALEGMMGQGGMPDLSALGGAGMPDMSQMFGGGLKGKIGEFAMKQSMKRMANKMKKAKKKRK 5L3R Chain:B ((14-293)) ---------------------FWNLAETDRVLDELEEALLVSDFGPKITVRIVERLREDIMSGKLKS----GSEIKDALKESVLEMLAKKNSKTELQLGFRKPAVIMIVGVNGGGKTTSLGKLAHRLKNE-GTKVLMAAGDTFRAAASDQLEIWAERTGCEIVVAEGDKAKAATVLSKAVKRGKEEGYDVVLCDTSGRLHTNYSLMEELIACKKAVGKIVSGAPNEILLVLDGNTGLNMLPQAREFNEVVGITGLILTKLDGSARGGCVVSVVEELGIPVKFIGVGEAVEDLQPFDPEAFVNAIFS----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5L3R.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 : 1426 -17757 -12.45 -65.52 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -12.45 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.661

(partial model without unconserved sides chains): PDB file : Tito_5L3R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5L3R-query.scw PDB file : Tito_Scwrl_5L3R.pdb: