Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKIYDAANWSKHEDDFTQMFYNQNVKQFWLPEEIALNGDLLTWKYLGKNEQDTYMKVLAGLTLLDTEQGNTGMPIVAEHVDGHQRKAVLNFMAMMENAVHAKSYSNIFMTLAPTETINEVFEWVKQNKYLQKKAQMIVGLYKAIQKDD--EISLFKAMVASVYLESFLFYSGFYYPLYFYGQGKLMQSGEIINLILRDEAIHGVYVGLLAQEIYNKQTEEKKAELREFAIDLLNQLYENELEYTEDLYDQVGLSHDVKKFIRYNANKALMNLGFDPYFEEEDINPIVLNGLNTKTKSHDFFSMKGNGYKKATVEPLKDDDFYFEDEKEQI 4BMQ Chain:A ((3-300)) ------AVNWNKKEDDFSLMFWKQNIAQFWTEEEIAVSSDKNTWVQLSKEEQIAYKRVLGGLTLLDTKQGGEGMPLVLVHLENLQAKSVLAFMGAMEE-VHAKSYSHIFTTLATEEEIDDIFDWVDNHPLLEKKAGIITSYYRRLLKPEVTKKELYMAMVASVFLESYLFYSGFFYPLYLAGQGKLTASGEIINLIIRDESIHGVFVGILAQQIFAELSAEEQQEVQKETQELLMELYEIEMAYTEEIYTSIGLVEDVNRFVRYNANKGLMNLGLEPKFEEEEINPIVLNGLRTDTKNHDFFSVK--------------------------

General information: TITO was launched using: RESULT: Template: 4BMQ.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 : 1422 -154171 -108.42 -520.85 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -108.42 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_4BMQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BMQ-query.scw PDB file : Tito_Scwrl_4BMQ.pdb: