Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVDYKTFDPDLWAAIAKEEERQEHNLELIASENFVSEAVMAAQGSILTNKYAEGYPGHRYYGGCEFVDIVENLAIDRAKELFGAKFANVQPHSGSQANTAAYLALVEPGDTILGMDLSAGGHLTHGSPVNFSGKTYHFVAYGVDPTTEVIDYNVVRILARKHQPKLIVAGASAYGRTIDFAKFREIADEVGAKLMVDMAHIAGLVAAGLHPNPVPYADITTTTTHKTLRGPRGGMILTNDEALAKKINSAVFPGIQGGPLEHVIAGKAVAFKEALDPAFKEYSEQIIANAKAMVKVFNQAIGTRVISGATDNHLMLIDVRELGINGKEAESILDSVNITVNKNSIPFETLSPFKTSGIRIGTPAITTRGFKEEDAVKVAELVVKALQAKDDNAQLDEVKTGVRELTEKFPLHKK 2VMN Chain:A ((8-405)) -------DPQVFAAIEQERKRQHAKIELIASENFVSRAVMEAQGSVLTNKYAEGYPGRRYYGGCEYVDIVEELARERAKQLFGAEHANVQPHSGAQANMAVYFTVLEHGDTVLGMNLSHGGHLTHGSPVNFSGVQYNFVAYGVDPETHVIDYDDVREKARLHRPKLIVAAASAYPRIIDFAKFREIADEVGAYLMVDMAHIAGLVAAGLHPNPVPYAHFVTTTTHKTLRGPRGGMILCQ-EQFAKQIDKAIFPGIQGGPLMHVIAAKAVAFGEALQDDFKAYAKRVVDNAKRLASAL-QNEGFTLVSGGTDNHLLLVDLRPQQLTGKTAEKVLDEVGITVNKATIPYDPESPFVTSGIRIGTAAVTTRGFGLEEMDEIAAIIGLVLKNVGSEQALEEARQRVAALTD-------

General information: TITO was launched using: RESULT: Template: 2VMN.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 : 2427 -203938 -84.03 -512.41 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -84.03 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_2VMN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VMN-query.scw PDB file : Tito_Scwrl_2VMN.pdb: