Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIGQQRNILATLGIDVWIPRTQVCQKNNAHTLWRDQVVEPHESITVPTIDVPAFEQKNTQPQVFEIPKVVEEPPIVVAEVSQPEILVEKPKVIEQETITPFELQAYCLEKCVIFVDVTALETEEKQLWANIQKAKVGRYSELRWPFPLAAYQDQRGVGSYIQGFLDAVAAEKKILCLGKCAYI----Q----------------HANIIHLASLKEML-----DKPLLKKRLWQLMQDNNE 3IKB Chain:B ((123-188)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------QLTILIGNYAQKYYLHQKSSVKLTDTVAHYKKYLPDYFPLVHPSPRNQIWMSRHPWFEAQVVPDLK----

General information: TITO was launched using: RESULT: Template: 3IKB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 117 -7400 -63.24 -180.48 target 2D structure prediction score : 0.32 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : -63.24 2D Compatibility (Sec. Struct. Predict.) : 0.32 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.336

(partial model without unconserved sides chains): PDB file : Tito_3IKB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IKB-query.scw PDB file : Tito_Scwrl_3IKB.pdb: