Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTEKEMKQIQNEFKERMDEGELLNCMRCGFCLPSCPTYIESGFQETHSPRGRIALMKAVADGMIEPDEDV--ER--------SLSLCLGCRACEPVCPSGVKYGQLLEEARDII--HQNKKHSLGERVMRKTAFHELFPHQNRMRSAVSLIGLYQRSGLQTAVRKSGMLRVLPEHLRTMEAVLPDVPKSKDMKHRPRFLPSIGPMKKRVAFFSGCLMDTMFLPTNNATLKLLQLAGCDIVIPPEQACCGALHGHSGEKNTGKELAKQNIAAFEALDVDAVITNAGGCGAFLTEYDHLLKDDPEWSERAAAFVQKLKDFSSVLVELDFHQMDLALETPQVVTYQDSCHLRNVMHTSLEPRQLLKSIKGAEFKEMEKADSCCGSAGIYNIVEVEMSMKILDSKMAAVKATEAILIVTANPGCLLQMKLGIEREGLSGKVRAVHLADLLLEAAGHKTS 3AEA Chain:B ((140-247)) -------QQYLQSIEEREKLDGLYECILCACCSTSCPSYWWNGDKYL----GPAVLMQAYR-WMIDSRDDFTEERLAKLQDPFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMMATYKE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AEA.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 : 356 -24561 -68.99 -255.84 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -68.99 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.394

(partial model without unconserved sides chains): PDB file : Tito_3AEA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AEA-query.scw PDB file : Tito_Scwrl_3AEA.pdb: