Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------MKLIEERTYEERLYIYSDDIEARKHFVSELKPKGWMVDNCWVGIDLNQIKQFYRFKRELTDDYVFNR----------- 1SMP Chain:I ((1-100)) SSLRLPSAAELSGQWVLSGAEQHCDIRLNTDVLDG-TTWKLAGDTACLQKLLPE-APVGWRPTPDGLTLTQADGSAVAFFSRNR-DRYEHKLVDGSVRTLKKK

General information: TITO was launched using: RESULT: Template: 1SMP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 201 8135 40.47 127.10 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain I : 0.60 3D Compatibility (PKB) : 40.47 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_1SMP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SMP-query.scw PDB file : Tito_Scwrl_1SMP.pdb: