Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRYRTLLFDVDDTILDFQAAEALALRLLFEDQNIPLTNDMKAQYKTINQGLWRAFEEGKMTRDEVVNTRFSALLKEYGYEADGALLEQKYRRFLEEGHQLIDGAFDLISNLQQQFDLYIVTNGVSHTQYKRLRDSGLFPFFKDIFVSEDTGFQKPMKEYFNYVFERIPQFSAEHTLIIGDSLTADIKGGQLAGLDTCWMNPDMKPNVPEIIPTYEIRKLEELYHILNIENTVSC 3I76 Chain:B ((4-232)) -KRYRTLLFDVDDTILDFQAAEALALRLLFEDQNIPLTNDMKAQYKTINQGLWRAFEEGKMTRDEVVNTRFSALLKEYGYEADGALLEQKYRRFLEEGHQLIDGAFDLISNLQQQFDLYIVTNGVSHTQYKRLRDSGLFPFFKDIFVSEDTGFQKPMKEYFNYVFERIPQFSAEHTLIIGDSLTADIKGGQLAGLDTCWMNPDMKPNVPEIIPTYEIRKLEELYHILNIE-----

General information: TITO was launched using: RESULT: Template: 3I76.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1116 -145017 -129.94 -633.26 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.99 3D Compatibility (PKB) : -129.94 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.99 QMean score : 0.703

(partial model without unconserved sides chains): PDB file : Tito_3I76.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I76-query.scw PDB file : Tito_Scwrl_3I76.pdb: