Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIHIAAQQGEIADKILLPGDPLRAKFIAENFLGDAVCFNEVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKKLIRVGTAGSLNEEVHVRELVLAQAAATNSNIVRNDWPQYDFPQIASFDLLDKAYHIAKELGMTTHVGNVLSSDVFYSNYFEKNIELGKWGVKAVEMEAAALYYLAAQYHVDALAIMTISDSLVNPDEDTTAEERQNTFTDMMKVGLETLIAE 1VHW Chain:D ((7-236)) ---HINAQMGDFADVVLMPGDPLRAKYIAENFLDNAVQVCDVRNMFGYTGTYKGRRISVMGHGMGIPSCSIYVTELIKDYGVKKIIRVGSCGAVNEGIKVRDVVIGMGACTDSKVNRIRFKDHDFAAIADYKMVKAAEEAAKARGIDVKVGNLFSAELFYTPDPSMFDVMDKYGIVGVEMEAAGIYGVAAEYGAKALAICTVSDH-IKTGEQTTSEERQNTFNEMIEIALDSVL--

General information: TITO was launched using: RESULT: Template: 1VHW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1379 -173803 -126.04 -755.67 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain D : 0.86 3D Compatibility (PKB) : -126.04 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_1VHW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VHW-query.scw PDB file : Tito_Scwrl_1VHW.pdb: