Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSYEVKSLNEECGIFGVWGHPDAASVAYFGLHSLQHRGQEGAGIVSNDR-GKLKGHRDLGLLSEVFKDQRKLQQLTGEAAIGHVRYATAGNGSVDNIQPFLFKFHDQSIGLAHNGNLINARSLRKELEENGAIFHSNSDTEILMHLIRRSEE--TDFLNKLKSALNEVKGGFAYLLMTE---TAMIAALDPNGFRPLAIGQMKNGAYVIASETCALEVIGARFIRDVQPGEIVIINDEGIQIDCFTKDTQLSICSMEYIYFARPDSNIAGINVHTARKNMGRNLAKESPVKADMVVGVPNSSLSAASGYAEASGIPYEIGLVKNQYIARTFIQPTPELREQGVRMKLSAVRGVVEGKKVIMVDDSIVRGTTSRRIVHLLKEAGAKEVHVRIASPPLKYPCFYGIDIQTRKELIAANHTIDEIKECIGADSLGFLSEEGLIESIGLEKDAPYSGLCMAYFNGDYPTPLYDYEEKYQESLKEKVSFF 1JXA Chain:C ((1-222)) -----------CGIVGAIAQRDVAEILLEGLRRLEYRGYDSAGLAVVDAEGHMTRLRRLGKVQMLAQAA-EEHPLHGGTGIAHTRWATHGEPSEVNAHPHVS----EHIVVVHNGIIENHEPLREELKARGYTFVSETDTEVIAHLVNWELKQGGTLREAVLRAIPQLRGAYGTVIMDSRHPDTLLAARSG---SPLVIGLGM-GENFIASDQLALLPVT-RRFIFLEEGDIAEITRRSVNIF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1JXA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1320 -48832 -36.99 -226.07 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain C : 0.62 3D Compatibility (PKB) : -36.99 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_1JXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JXA-query.scw PDB file : Tito_Scwrl_1JXA.pdb: