Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYEIFKAIHGLSHHNSVLDSIMVFITEYAIVAYALILLAIWLFGNTQSRKHVLYAGITGIAGLVINYLITLVYFEPRPFVAHTV---HTL--IPHAADASFPSDHTTGALAISIAMLFRNRKIGWPLVIFGLLTGFSRIWVGHHYPVDVLGSLVVAIIIGFLFFRFSDLLRPFVDLVVRIYEAIINKLTKKPTDQNF 2IPB Chain:A ((114-221)) -------------------------------------------------------------GGYYATASAKKYYMRTRPFVLFNHSTCRPEDENTLRKDGSYPSGHDAYSTLLALVLSQARPERAQELARRGWEFGQSRVICGAHWQSDVDAGRYVGAVEFARLQTIPA-----------------------------

General information: TITO was launched using: RESULT: Template: 2IPB.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 : 408 -34278 -84.01 -332.80 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -84.01 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.054

(partial model without unconserved sides chains): PDB file : Tito_2IPB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IPB-query.scw PDB file : Tito_Scwrl_2IPB.pdb: