Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREEEKKTSQVKKLQQFFRKRWVFPAIYLVSAAVILTAVLWYQSVSNDEVKDQLADNGGNSAYDNNDDAVEVGKSMENVAMPVVDSENVSVVKKFYETDAAKEEKEAALVTYNNTYSLSKGIDLAEKDGKDFDVSASLSGTVVKAEKDPVLGYVVEVEHADGLSTVYQSLSEVSVEQGDKVKQNQVIGKSGKNLYSEDSGNHVHFEIRKDGVAMNPLNFM--DKPVSSIEKAATQETEESIQQSSEKKDGSTEKGTEEKSGEKKDDSTDKSGSKESSTTEDTEQS 2GU1 Chain:A ((234-331)) ------------------------------------------------------------------------------------------------------------------------GTDFATPIGAP--VYSTGDGKVIVVRKHPYAGNYLVIEHNSVYKTRYLHLDKILVKKGQLVKRGQKIALAGAT--GRLTGPHLHFEVL---VRNRPVDAMKADLP------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GU1.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 : 457 -27875 -61.00 -290.36 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -61.00 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.342

(partial model without unconserved sides chains): PDB file : Tito_2GU1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GU1-query.scw PDB file : Tito_Scwrl_2GU1.pdb: