Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGAAAKLAFAVFLISCSSGAILGRSETQECLFFNANWEKDRTNQTGVEPCYGDKDKRRHCFATWKNISGSIEIVKQGCWLDDINCYDRTDCVEKKDSPEVYFCCCEGNMCNEKFSYFPEMEVTQPTSNPVTPKPPYYNILLYSLVPLMLIAGIVICAFWVYRHHKMAYPPVLVPTQDPGPPPPSPLLGLKPLQLLEVKARGRFGCVWKAQLLNEYVAVKIFPIQDKQSWQNEYEVYSLPGMKHENILQFIGAEKRGTSVD-VDLWLITAFHEKGSLSDFLKANVVSWNELCHIAETMARGLAYLHEDIPGLKDGHKPAISHRDIKSKNVLLKNNLTACIADFGLALKFEA---GKSAGDTHGQVGTRRYMAPEVLEGAINFQRDAFLR-IDMYAMGLVLWELASRCTAA--DGPVDEYMLPFEEEIGQHPSLEDMQEVVVHKKKRPVLRDYWQKHA-GMAMLCETIEECWDHDAEARLSAGCVGERITQMQRLTNIITTEDIVTVVTMVTNVDFPPKESSL 3G2F Chain:B ((10-316)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LDLDNLKLLELIGRGRYGAVYKGSLDERPVAVKVFSFANRQNFINEKNIYRVPLMEHDNIARFIVGDERVTADGRMEYLLVMEYYPNGSLKAYLSLHTSDWVSSCRLAHSVTRGLAYLHTELPR-GDHYKPAISHRDLNSRNVLVKNDGTCVISDFGLSMRLTGNRL----------VGTIRYMAPEVLEGAVNLRDESALKQVDMYALGLIYWEIFMRCTDLFPGESVPEYQMAFQTEVGNHPTFEDMQVLVSREKQRPKFPEAWKENSLAVRSLKETIEDCWDQDAEARLTAQA-EERMAEL-------------------------------

General information: TITO was launched using: RESULT: Template: 3G2F.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 : 1464 -32408 -22.14 -114.11 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -22.14 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.206

(partial model without unconserved sides chains): PDB file : Tito_3G2F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3g2f-query.scw PDB file : Tito_Scwrl_3G2F.pdb: