Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTHTVPQNMKAAVMHNTREIKIETLPVPDINHD-EVLIKVMAVGICGSDLHYYTNGRIGNYVVEKPFILGHECAGEIAAVGSSVDQFKVGDRVAVEPGVTCGRCEACKEGRYNLCPDVQFLATPP----VDGAFVQYIKMRQDFVFL--IPDSLSYEEAALI-EPFSVGIHAAARTKLQPGSTIAIMGMGPVGLMAVAAAKAFGAGTIIVTDLEPLRLEAAKKMGATHIINIREQDALEEIKTITNDRGVDVAWETAGNPAALQSALASVRRGGKLAIVGLPSQNEIPLNVPFIADNEIDIYGIFRYANTY---PKGIEFLASGIVDTKHLVTDQYSLEQTQDAMERALQFKNECLKVMVYPNR 4CPD Chain:C ((1-343)) --------MRAVVFENKERVAVKEVNAPRLQHPLDALVRVHLAGICGSDLHLYH----GKIPVLPGSVLGHEFVGQVEAVGEGI-DLQPGDWVVGPFHIACGTCPYCRRHQYNLCERGGVYGYGPMFGNLQGAQAEILRVPFSNVNLRKLPPNLSPERAIFAGDILSTAYGGLIQGQLRPGDSVAVIGAGPVGLMAIEVAQVLGASKILAIDRIPERLERAASLGAIP-INAEQENPVRRVRSETNDEGPDLVLEAVGGAATLSLALEMVRPGGRVSAVGVDNAPSFPF--PLASGLVKDLTFRIGLANVHLYIDAVLALLASGRLQPERIVSHYLPLEEAPRGYE--LFDRKEALKVLL----

General information: TITO was launched using: RESULT: Template: 4CPD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2044 -253728 -124.13 -766.55 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.78 3D Compatibility (PKB) : -124.13 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_4CPD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CPD-query.scw PDB file : Tito_Scwrl_4CPD.pdb: