Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTEKEMKQIQNEFKERMDEGELLNCMRCGFCLPSCPTYIESGFQETHSPRGRIALMKAVADGMIEPDEDV--ER--------SLSLCLGCRACEPVCPSGVKYGQLLEEARDII--HQNKKHSLGERVMRKTAFHELFPHQNRMRSAVSLIGLYQRSGLQTAVRKSGMLRVLPEHLRTMEAVLPDVPKSKDMKHRPRFLPSIGPMKKRVAFFSGCLMDTMFLPTNNATLKLLQLAGCDIVIPPEQACCGALHGHSGEKNTGKELAKQNIAAFEALDVDAVITNAGGCGAFLTEYDHLLKDDPEWSERAAAFVQKLKDFSSVLVELDFHQMDLALETPQVVTYQDSCHLRNVMHTSLEPRQLLKSIKGAEFKEMEKADSCCGSAGIYNIVEVEMSMKILDSKMAAVKATEAILIVTANPGCLLQMKLGIEREGLSGKVRAVHLADLLLEAAGHKTS 3AE9 Chain:B ((140-247)) -------QQYLQSIEEREKLDGLYECILCACCSTSCPSYWWNGDKYL----GPAVLMQAYR-WMIDSRDDFTEERLAKLQDPFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMMATYKE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AE9.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 : 343 -22737 -66.29 -236.84 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -66.29 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_3AE9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AE9-query.scw PDB file : Tito_Scwrl_3AE9.pdb: