Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQHQINGIALPNEQGFFGEYGGQFIPPHLKEAMDEINVAYEEI-----RHTPEFQNELADLFANYVGRPSPLFHAKRLSEQLGGAQIYLKREDLNHTGAHKINHCLGEALLAKYMGKKKVIAETGAGQHGVALATACALVGIPCEIHMGQVDIEKEHPNVVKMKILGAHLVSVTRGTATLKDAVDSAFEEYLKDPKNFIYAIGSVVGPHPFPKMVRDFQSIIGKEIKEQTHQRFGKNPDYVVACVGGGSNAIGAFTAFLNDSDVKLVGVEPAGHGLDTNMHSATLTLGKPSQIHGMACYVLENEAGEPLPVHSIASGLDYPGVGPQHSFLKDLGRVEYSTATDQECLDAFMTLSRVEGIVPALESSHAVAWAIREAPKLPKETMIVVNLSGRGDKDSDYVAEKLKL 4NEG Chain:A ((23-397)) ------------------------VPE----TLMQS-VLELEEAYKEAMEDEAFQKELNHYLKTYVGRETPLYFAENMTEYCGGAKIYLKREDLNHTGAHKINNTIGQALLAVRMGKKKVVAETGAGQHGVATATVCALLGLECVIFMGEEDVRRQKLNVFRMELLGAKVESVAAG--TLKDAVNEALRYWVSHVHDTHYIMGSVLGPHPFPQIVRDFQSVIGNETKKQYEALEGKLPEAVVACIGGGSNAMGMFYPFVHDEEVALYGVEAAG---------------------------------------------DY------HSLLKDIGRVSYHSITDDEALEAFQLLTKKEGIIPALESSHAVAYALKLAPQMKEDEGLVICLSGRGDKDVESIKRYM--

General information: TITO was launched using: RESULT: Template: 4NEG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1882 71338 37.91 225.04 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 37.91 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.630

(partial model without unconserved sides chains): PDB file : Tito_4NEG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NEG-query.scw PDB file : Tito_Scwrl_4NEG.pdb: