Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELKRVNQDFYVAGQITANDIVKIADQGIKTLICNRPDGEGADQPNVIEIEEAAQQYGLKVIYQPVTSGKITDQQVAEFKQLYKNAQKPVLAYCRSGMCAISLWALAEVAPQDVALLVESGNKLGFNLKGLVPRILKRDHEPATIPCYSVVIVGAGAAGISVASSLLSRE--PHLDIVIIDPADTHYYQPGWTMVGGGIFKPQVTARSMASVIP-SKVKWMKAAVAGFDPEHNQVILEGCQPIQYKALVVCPGLKLNWHGIEGLVATLG-KNGVTSNYRYDLAPYTWELVQQLNGG---KAIFTQPPMPIKCAGAPQKAMYLSADYWLKQ--------GKL-KNISIHFYNTGGVLFG-V-KEYVPALMQYVEKYGTELHFNHQLVKVDGPAKKAWFKVVNDENAALVETDFDMLHVVPPQQAPDFIRASSLTDEAGWVSVNPQTLQHTQNANIFALGDVMNAPN-------AKTAAAARTQAPIVAVNVIAQLKGEQN-FCEYNGYGS-CPLTVERGKIVLAEFGYGGKLLPSFPKWVIDGQKPSRLAWLLKERILPPIYWQGMLKGREWIVKPEQG 4XDB Chain:A ((9-395)) ------------------------------------------------------------------------------------------------------------------------------------------------QDRKKVLVLGAGYAGLQTVTKLQKAISTEEAEITLINKNEYHYEATWLHEASAGTLNYEDVLYPVESVLKKDKVNFVQAEVTKIDRDAKKVETNQG-IYDFDILVVALGFVSETFGIEGMKDHAFQIENVITA------RELSRHIEDKFANYAASKEKDDNDLSILVGGAGFTGVEFLGE-LTDRIPELCSKYGVDQNKVKITCVEAAPKMLPMFSEELVNHAVSYLEDRGVEFKIATPIVACNEKG--FVVEV--DG--EKQQLNAGTSVWAAGVRGSKLMEESFEGVKRGRIVTKQ-DLTINGYDNIFVIGDCSAFIPAGEERPLPTTAQIAMQQGESVAKNIKRILNGESTEEFEYVDRGTVCSLGSHDGVGMV-----FGKP--------I----AGKKAAFMKKVIDTRAVFK---------------

General information: TITO was launched using: RESULT: Template: 4XDB.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 : 2070 -5901 -2.85 -16.39 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -2.85 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_4XDB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XDB-query.scw PDB file : Tito_Scwrl_4XDB.pdb: