Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKTTGHTTIKDVAECAGVSKSTVSRYINGKIDAISPEKVKNIKKAIAELNYRPSKMAQGLKIKKSKLIGFVVADITNPFSVAAFRGVEEVCDQYGYSIMVCNTDNSPEKEREMLLKLEAHSVEGLILNATGENKDVLRAFAE-QQIPTILIDRKLPDLKLDTVTTDNRWITKEILQK-VYSKGYTDVALFTEPISSISPRAERAAVYQEMASVQNVNGLVRLHE-IDVKDKEQLKAELRSFHK--EMPEQKKAILALNGLIMLKIISCMEELGLRIPQDIGIAGFDDTEWYKLIGPGITTIAQPSHDMGRTAMERVLKRIEGDKGAPQTIELEAKVIMRKSL 2PUE Chain:A ((2-330)) ---------TIKDVAKRANVSTTTVSHVIN-KTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLEQNTGAGRLAGFMKAMEE-----AMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSV

General information: TITO was launched using: RESULT: Template: 2PUE.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 : 1720 -39059 -22.71 -120.55 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -22.71 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_2PUE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUE-query.scw PDB file : Tito_Scwrl_2PUE.pdb: