Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKIWFAEYQKTGIPETVALPAENTSLVDIFERNFQKFGSRDAFIFMDKAMSFNELELASRKFATYLQNLGLAKGTRVAVMMPNVLQYPVVALAVLRAGLVLVNVNPLYTARELEHQLNDSGAEVLVIIENFASVYQSILGKTP-VKHVVVASVGDMLGTLKGTLVNFVLRKVRKQIPAWNIPGHVKFNSALNKENPSNYKRPTLTLSDTAVLQYTGGTTGVSKGAELTHRNLVANLLQCD-GIFQSKFGANDGAKGDRIVCALPLYHIFAFMVCAMYGMYKGQANILIPN-PRDLPAVIKELRKYQPSFFPAVNTLFNALVNNEEFKQLDHSNLKMAMGGGMAVLPSTAEAWKKITGTTIIEGYGLSETSPVATANPPASTEFSGTIGIPLPLTEVAILDDDGKEVPLGEQGEISIRGPQVMKGYWNRPDETAKVMTADGFFRTGDIGVMDSRGYVKIVDRKKDMILVSGFNVYPSEIEEVIAKHPKVLEVAAIGVPDEKSGEVPKLFIVKKDP----SLTTEEVLNFAKENLTGYKRPRYVEFMDELPKSNVGKILRKDLRKPV 4WV3 Chain:B ((9-515)) -----------------------YYNAVDILERNLPVRANKTALFTPDREMTFRQVSNEANQVGNALKGLGVRFGECVGLLTLDSAEWVTSFFGIVKLGAIAVGINTLLKPPEYEYILRDCRARVLIVHQEFLPLIESIRGNLPMLEHIVVIGEGPQ-----------------E--------GYLSFNDWIRPQPTT-LEAAQSHREDICSLNYSSGTTGGPKGIPHAHKDYPLTAQLWGVNVL-------GLRESDRTFALAKLFFTFGTGGNLIFPWYVGASCVLFPGAARVASNVLSTISRFKPTIFYNAPTGYAAALALKDFSQHDLSSLRLCVSASEALPAALWYAWKEATGVDIIDGIGCTENFHIFISNRPG-DIRPGSSGKPVEGYELKLVDDEGKTVPAGEIGNVLLRSETAALSYWHNFEKSRQTF-QGEWLATGDKYFVDADGYYWHAGRSDDMLKVGGIWVSPVEVESTLIQHPAVQECAVIGCPD---LIKPKAFIILKP-QIPSEALIRQITDHCTEKMAAYKRPRWIEFVTELPKTATGKIQRFKLRSA-

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 B - contact count / total energy / energy per contact / energy per residue : 3061 -141961 -46.38 -286.21 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -46.38 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.557

(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: