Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNLQNKLKHLEKDNHMSLSDEEQFDSLKSFAKKYGSAMISGILIALIAFFGWEYWQKRNLATSQTETAKVQQLMDEANATADNPNALASITASADKIVKDDIDSVQAIQTQFVLAKLAYEKQDYAAAEKALKKVENSKVKDEGLIQVVKLRLADAQLAQNKYDEALKTLSGDVDP-AFKATVEELRGD---IFVAKKDIDSAKKAYQAAWDSLLERKQERQILQIKLESVGVLVEDPQIERPILETQVEES 3DT5 Chain:A ((15-133)) ----------------------------------------------------------------------------------------------------------------RLKAIEDRLEKFYIPLIKAFSSYVYTAQTEDEIETIITCR---RYLAGNNLLRVL--------PMHFKFKADKIAGSANWTFYAKEDFEQWKEALDVLWEEFLEVLKEYYTLS------GTEISLPEKPDWLIGYK----

General information: TITO was launched using: RESULT: Template: 3DT5.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 : 377 -15749 -41.77 -136.95 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -41.77 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_3DT5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DT5-query.scw PDB file : Tito_Scwrl_3DT5.pdb: