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

General information: TITO was launched using: RESULT: Template: 2PUF.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 : 1732 -35749 -20.64 -110.34 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -20.64 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_2PUF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUF-query.scw PDB file : Tito_Scwrl_2PUF.pdb: