Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNIIRLLAESLPRISDGNENTDVWVNDMKFKMAYSFLNDDIDVIERELEQTVRSDYPLLSEAGLHLLQAGGKRIRPVFVLLSGMFGDYD-INKIKYVAVTLEMIHMASLVHDDVIDDAELRRGKPTIKAKWDNRIAMYTGDYMLAGSLEMMTRINEPKAHRILSQTIVEVCLGEIEQIKDKYNMEQNLRTYLRRIKRKTALLIAVSCQLGAIASGADEKIHKALYWFGYYVGMSYQIIDDILDFTSTEEELGKPVGGDLLQGNVTLPVLYALKNPALKNQLKLINSETTQ--EQLEPIIEEIKKTDAIEASMAVSEMYLQKAFQKLNTLPRGRARSSLAAIAKYIGKRKF 4LOB Chain:A ((38-335)) ----------------------------------------DFAAMDHLINEGISSKVGLVMSVSKHVVEAGGKRMRPIMCLLAARACDLDNMQNAQRLAAIIEMLHTATLVHDDVVD--------------WNNQTAVLVGDFLIARAFDLLVDLNNMTLLKDFSTGTCEIAEGEVLQLQSQHQPDTTEETYLKIIHGKTSRLFELATEGAAILAG-QEAYREPLRLFAGHFGNAFQIIDDILDYTSDAETLGKNIGDDLMEGKPTLPLISALAHSTGEEHAIIRRSIATGGVDQLPKVIEIVQKSGALDYCQRRAQEETEAALQALSILPDTPYRQAL------------

General information: TITO was launched using: RESULT: Template: 4LOB.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 : 1323 -86469 -65.36 -307.72 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -65.36 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_4LOB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LOB-query.scw PDB file : Tito_Scwrl_4LOB.pdb: