Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSQKPWLAEYPNDIPHELPLPNKTLQSILTDSAARFPDKTAISFYGKKLTFHDILTDALKLAAFLQCNGLQKGDRVAVMLPNCPQTVISYYGVLFAGGIVVQTNPLYTEHELEYQLRDAQVSVIITLDLLFPKAIKMKTL-SIVDQILITSVKDYLPFPKNILYPLTQKQKVHIDFDKTANIHTFASCMKQEKTELLTIPKIDPEHDIAVLQYTGGTTGAPKGVMLTHQNILANTEMCA-AWMYDVKEGAEKVLGIVPFFHVYGLTAVMNYSIKLGFEMILLPK--FDPLETLKIIDKHKPTLFPGAPTIYIGLLHHPELQHYDLSSIKSCLSGSAALPVEVKQKFEKVTGGKLVEGYGLSEASPVTHANFIWGKNKPGSIGCPWPSTDAAIYSEETGELAAPYEHGEIIVKGPQVMKGYWNKPEETAAVLRDGWLFTGDMGYMDEEGFFYIADRKKDIIIAGGYNIYPREVEEALYEHEAIQEIVVAGVPDSYRGETVKAFVVLKKGA---KADTEELDAFARSRLAPYKVPKAYEFRKELPKTAVGKILRRRLLEEETENHHIK 4WV3 Chain:A ((10-518)) -----------------------YNAVDILERNLPVRANKTALFTPDREMTFRQVSNEANQVGNALKGLGVRFGECVGLLTLDSAEWVTSFFGIVKLGAIAVGINTLLKPPEYEYILRDCRARVLIVHQEFLPLIESIRGNLPMLEHIVVIG-----------------------------GYLSFNDWIRPQPTTL-E-AAQSHREDICSLNYSSG-TGGPKGIPHAHKDYPLTAQLWGVNVLG--LRESDRTFALAKLFFTFGTGGNLIFPWYVGASCVLFPGAARVASNVLSTISRFKPTIFYNAPTGYAAALALKDFSQHDLSSLRLCVSASEALPAALWYAWKEATGVDIIDGIGCTENFHIFISNRP-GDIRPGSSGKPVEGYELKLVDDE-GKTVPAGEIGNVLLRSETAALSYWHNFEKSRQTFQGEWLATGDKYFVDADGYYWHAGRSDDMLKVGGIWVSPVEVESTLIQHPAVQECAVIGCPDQSRLIKPKAFIILKPEQIPSEALIRQITDHCTEKMAAYKRPRWIEFVTELPKTATGKIQRFKLRSAAKL-----

General information: TITO was launched using: RESULT: Template: 4WV3.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 : 3045 -100946 -33.15 -203.52 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -33.15 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_4WV3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WV3-query.scw PDB file : Tito_Scwrl_4WV3.pdb: