Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFGKILNKFKAWYKGDPGDMRWDPRTDTYVGTREPSKHWTAKVLSYFVDFSLLIAKSIKKHPSAYITQLLAFIAILVSCFSIYLQYYVDDDEYKRCTIAHTNNQEIALKCKK 4XX1 Chain:L ((26-55)) ---KLGNKFTSWYQRKPGQ---SPVLVIYQDTKRPS----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XX1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain L - contact count / total energy / energy per contact / energy per residue : 49 3430 69.99 114.32 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain L : 0.53 3D Compatibility (PKB) : 69.99 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.346

(partial model without unconserved sides chains): PDB file : Tito_4XX1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XX1-query.scw PDB file : Tito_Scwrl_4XX1.pdb: