Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKPVIALIGRPNVGKSTLFNQITKSRDALVADFAGLTRDRKYGDATYQNKSFIVVDTGGIGES-EGGIDNYMAEQSKTAINEADIIIFVVDARAGLLASDEQIARELRTLGKKIYLVANKVDGVHAEAALV--EFYKLGLGEPLQVAASHGRGVQQMLEDVLQDIPE-----DENPEEHDKDTGLRLAIIGRPNVGKSTLVNRLLGEDRVVAFDQPGTTRDSIYIPFEREGRKYTLIDTAGVRRKGKVDEMIEKFSIVKTLQAMKDAHVVVVVVDAREGIVEQDLHLIGYALEAGRAMVIAINKWDNMSEYDRKQ---CKLDVERRFDFIPWARIHLISALHGTGVGELYPSIHRAYESANLKVSPAKLTQILNDATDQHQPPTVQGRRIKMRYAHMGGQNPPTIVIHGNKVDKTPADYRRYLENVFRK-VYKLEGTPVKIEFKTSENPFEGRKSQVDERTAARRRRYIQKFKKAEKKFKR 1MKY Chain:A ((4-438)) ----VLIVGRPNVGKSTLFNKLVK--------------DPVQDTVEWYGKTFKLVDTCGVFDNPQDIISQKMKEVTLNMIREADLVLFVVDGKRGITKEDESLADFLRKSTVDTILVANKAENLREFEREVKPELYSLGFGEPIPVSAEHNINLDTMLETIIKKLEEKGLDLESKPEITD---AIKVAIVGRPNVGKSTLFNAILNKERALVSPIP------VDDEVFIDGRKYVFVDTAGL----------EKYSNYRVVDSIEKADVVVIVLDATQGITRQDQRMAGLMERRGRASVVVFNKWDLVVHREKRYDEFTKLFREKLY-FIDYSPLIFTSADKGWNIDRMIDAMNLAYASYTTKVPSSAINSALQKVLAFTNLP----RGLKIFFGVQVDIKPPTFLFFVNSIEKVKNPQKIFLRKLIRDYVFPFEGSPIFLKFKRS-----------------------------------

General information: TITO was launched using: RESULT: Template: 1MKY.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 : 1946 37008 19.02 94.41 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 19.02 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.620

(partial model without unconserved sides chains): PDB file : Tito_1MKY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1MKY-query.scw PDB file : Tito_Scwrl_1MKY.pdb: