Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTERKEDLHQQLKEIEKWEKDQQKVWFWEKLSRLPFQLLDKLTPEFIQKKIGKLLDEVGSFVQTGGQYLTSEKQIIRMFQKKLPEEIFESLEDIRKAPLPVMDEIAEGMGKNRTNAATVQGATTGVGGVFTLAADIPAVLGLSLKTLQDIAVAYGYDPKEKKERVFIVKCLQLTSADVVGKRSILQELKHYDQDRTYKNVASQIQGWREVVLGYRDTFGWKKLFQIVPVAGMVFGAAANRSTLNDITETGMMLYKKRRILERLKETEREME 5CW9 Chain:A ((21-65)) --------------------------------------------------------------------------EMIRQARKFAGTVTVTLIIRFRGDDLEALEKALKEMIRQARKFAG---------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5CW9.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 : 32 -4633 -144.78 -102.96 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -144.78 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_5CW9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CW9-query.scw PDB file : Tito_Scwrl_5CW9.pdb: