Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTSQGEMRGRLRSNASSTGILSSNTYAKHTLKCSLKPEAMELIRCRHLNIQTTHVKAIELVSFNEAKNRLITKKVIGKELFHALWNPTNLLGRLQGHRLQNPDTLVHRITEIGTWLRKYHNSSAGLTPESTDGSW-LVTAFAQKIRG-IRASKLIPEPNLKKIEQKYSTELQKLT--TPDYLSFNNAFPCQVHGDFVLYNVLVDSQQNMHILDFSKTRISSNLEDVARFYSTLWAIAQTNRTRRSLLRELPTRFLKAYGLPPLIAETPYFRANLVYNFLAHLEAQHRGRKTFSWNTNREMGQITRAGMKWIYQQI 4GKH Chain:A ((97-254)) ----------------------------------------------------------------------LLTTAIPGKTAFQVL--------------EEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNGWPVEQVWK-EMHKLLPFSPDSVV--------THGDFSLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPS----------LQKRLFQKYGI-------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GKH.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 : 538 -18664 -34.69 -121.19 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -34.69 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.223

(partial model without unconserved sides chains): PDB file : Tito_4GKH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4gkh-query.scw PDB file : Tito_Scwrl_4GKH.pdb: