Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------YECYVSLKINGIEHYKPEGRMEFPGATTVYDIG-GYGTVVIVLGDTCEPIYKTELKLPQAFDFSSRIFKKRKQSEGQPSGREEVKHQRIEAQEWKPGNV------------------------------------------------------------------------------------------------------------------------- 4IWN Chain:A ((1-229)) TFDERVAEVFPDMIQRSVPGYSNIISMIGMLAERFVQPG-------TQVYDLGCSLGAATLSVRRN---IHHDNCKI-IAIDNSPAMIERCRHHIDAYKAPTPVDVIEGDIRDIAIENASMVVLNFTLQFLEPSERQALLDKIYQGLNPGGALVLSEKFSFEDAKVGELLFNMHHDFKRANGYSELEISQKRSMLENVMLTDSVETHKARLHNAGFEHSELWFQCFNFGSLVALKAEDAA

General information: TITO was launched using: RESULT: Template: 4IWN.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 : 290 15723 54.22 180.72 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 54.22 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.225

(partial model without unconserved sides chains): PDB file : Tito_4IWN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IWN-query.scw PDB file : Tito_Scwrl_4IWN.pdb: