Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNETITYDTWNDMLSKQITDQLIDELDVLKWAYRTYGEKIVYACSFGAEGMVLLDLISKI----NKNAHIIFLDTGLHFQETYELIETVKERYPGFAIQMLEPELSLTEQG--TKYGGELWKHNPNLCCQLRKIEPLKKHLSGM--TAWISGLRRDQSPTRKHIQYVNLDQKFELIKICPLIHWTWDDVWTYIRLHNLPYNKLHDQHYPSIGCEMCTLPSP-----DPNDERAGRWAGREKTECGLHQE 4BWV Chain:A ((67-260)) -------------------------------------EKPAFPCALIAGDVVILDLLHRIGAFSDNKVKIIFIDTFHLFPETYKFLSEVEERY-GFKAHVFHAADVNNKEAYDAKFGSDLFITDIEEYDRICKVEPFSRALKTLEVDAMINGRRRDHGAERAHLEVF---EEGKMVKVQPLAYWEFRDCWDYLTKYSLPYHPLHDQGFPSIGDVQSTIPVPREKWFEYAGERSGR--------------

General information: TITO was launched using: RESULT: Template: 4BWV.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 : 790 -96369 -121.99 -532.42 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -121.99 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_4BWV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BWV-query.scw PDB file : Tito_Scwrl_4BWV.pdb: