Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTIEEQLKALREETLTSLKQITAGNEKEMQDLRVSVLGKKGSLTEILKGMKDVSAEMRPIIGKHVNEARDVLTAAFEETAKLLEEKKVAAQLASESIDVTLPGRPVATGHRHVLTQTSEEIEDIFIGMGYQVVDGFEVEQDYYNFERMNLPKDHPARDMQDTFYITEEILLRTHTSPVQARAMDAHDFSKGPLKMISPGRVFRRDTDDATHSHQFHQIEGLVVGKNISMADLQGTLQLIVQKMFGEERQIRLRPSYFPFTEPSVEVDVSCFKCGGEGCNVCKKTGWIEIMGAGMVHPRVLEMSGIDATVYSGFAFGLGQERVAMLRYGINDIRGFYQGDVRFSEQFK 2RHQ Chain:A ((27-287)) --------------------------------------------------------------------------------------EKLNQQLAEETIDVTLPSRQISIGSKHPLTRTVEEIEDLFLGLGYEIVDGYEVEQDYYNFEALNLPKSHPARDMQDSFYITDEILMRTHTSPVQARTMEKRN-GQGPVKIICPGKVYRRDSDDATHSHQFTQIEGLVVDKNIKMSDLKGTLELVAKKLFGADREIRLRPSYFPFTEPSVEVDVSCFKCKGKGCNVCKHTGWIEILGAGMVHPNVLEMAGFDSNEYSGFAFGMGPDRIAMLKYGIEDIRYFYTNDVRFLEQFK

General information: TITO was launched using: RESULT: Template: 2RHQ.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 : 1242 -118193 -95.16 -452.84 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -95.16 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_2RHQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RHQ-query.scw PDB file : Tito_Scwrl_2RHQ.pdb: