Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKIYDAANWSKHEDDFTQMFYNQNVKQFWLPEEIALNGDLLTWKYLGKNEQDTYMKVLAGLTLLDTEQGNTGMPIVAEHVDGHQRKAVLNFMAMMENAVHAKSYSNIFMTLAPTETINEVFEWVKQNKYLQKKAQMIVGLYKAIQKDD--EISLFKAMVASVYLESFLFYSGFYYPLYFYGQGKLMQSGEIINLILRDEAIHGVYVGLLAQEIYNKQTEEKKAELREFAIDLLNQLYENELEYTEDLYDQVGLSHDVKKFIRYNANKALMNLGFDPYFEEEDINPIVLNGLNTKTKSHDFFSMKGNGYKKATVEPLKDDDFYFEDEKEQI 4BMT Chain:B ((3-287)) ------AVNWNKKEDDFSLMFWKQNIAQFWTEEEIAVSSDKNTWVQLSKEEQIAYKRVLGGLTLLDTKQGGEGMPLVLVHLENLQAKSVLAFMGAMEE-VHAKSYSHIFTTLATEEEIDDIFDWVDNHPLLEKKAGIITSYYRRLLKPEVTKKELYMAMVASVFLESYLFYSGFFYPLYLAGQGKLTASGEIINLIIRDESIHGVFVGILAQQIFAELSAEEQQEVQKETQELLMELYEIEMAYTEEIYTSIGLVEDVNRFVRYNANKGLMNLGLEPKFEEEEINPIVLNGL---------------------------------------

General information: TITO was launched using: RESULT: Template: 4BMT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1356 -164099 -121.02 -579.86 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -121.02 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.553

(partial model without unconserved sides chains): PDB file : Tito_4BMT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BMT-query.scw PDB file : Tito_Scwrl_4BMT.pdb: