Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIYDGQVADNYMYQDSNQAAIVVSHSTPSLPYPFTMKPNNHSTETNTPPAIDVEKFVAKLESITSRRSKARCARSIRIALES-AGADVENHPIAASDWGDTLK--------KIGYKEINP-AFDEPQEGDIYIIHRTRNHIYGHIAGYTGS--EWVSDFKQSSYDVYKDDNVTYTYYRLG 2VPS Chain:A ((54-197)) -------------------------------------------------------------------GFKYQCVEFARRWLLVRKGLLL-PDVNWACHIFQLKEVRDAATTESFAVLQVRNGTTTKPEADALLVYPSTDANPVGHVGTITEVGDDYVCVADQNY-----------------

General information: TITO was launched using: RESULT: Template: 2VPS.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 : 295 -5488 -18.60 -65.33 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -18.60 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.270

(partial model without unconserved sides chains): PDB file : Tito_2VPS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VPS-query.scw PDB file : Tito_Scwrl_2VPS.pdb: