Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKKTIAVIGSGAAALSLAAAFPPSYEVTVITKKSVKNSNSVYAQGGIAAAYA--KDDSIEAHLEDTLYAGCGHNNLAIVADVLHDGKMMVQSLLERGFPFDRNERGGVCLGREGAHSYNRIFHAGG---------DATGRLLIDYLLKR-INSKIKLIENETAADLLIEDGRCIGVMTKD-SKGRLKVRHADEVVLAAGGCGNLFLHHTNDLTVTGDGLSLAYRAGAELTDLEFTQFHPTLLVKNGVSYGLVSEAVRGEGGCLVDENGRRIMAERHPLG-DLAPRDIVSRVIHEEMAKG-------NRVYIDFSAI--SDFETRFPTITAICEK-AGIDIHSGKIPVAPGMHFLMGGVSVNRWGET---------TVPGLYAIGETACSGLHGANRLASNSLLEALVFGKRAAEHIIQ-----KPVYNRQYQSGLET-----SVFYEVPDIEGHE----LQSKMTSHMSILREQSSLIE----LSIWLHTLPFQEVNVKDIT-----IRQMELSHLWQTAKLMTFSALLREESRGAHFRTDFPHAEVSWQGRQIVHTKKGTKIRKNEGIWNNESFTAEKITESLFS 1YQ4 Chain:A ((42-554)) -------------------------FNTACVTKLFPTRSHTVAAQGGINAALGNMEDDNWRWHFYDTVKGSDWLGDQDAIHYMTEQAPAAVIELENYGMPFSRTEEGKIYQRAFGGQSLQ--FGKGGQAHRCCCVADRTGHSLLHTLYGRSLRYDTSYFVEYFALDLLMENGECRGVIALCIEDGTIHRFRAKNTVIATGGYGRTYFSCTSAHTSTGDGTAMVTRAGLPCQDLEFVQFHPTGIYGAGC---LITEGCRGEGGILINSQGERFMERYAPVAKDLASRDVVSRSMTIEIREGRGCGPEKDHVYLQLHHLPPQQLATRLPGISETAMIFAGVDVTKEPIPVLPTVHYNMGGIPTNYKGQVITHVNGEDKVVPGLYACGEAASASVHGANRLGANSLLDLVVFGRACALTIAETCKPGEPVPSIKPNAGEESVANLDKLRFADGTIRTSEARLNMQKTMQSHAAVFRTGSILQEGCEKLSQIYRDLAHLKTFDRGIVWNTDLVETLELQNLMLCALQTIYGAEARKESRGAHAREDY--------------------------------------------

General information: TITO was launched using: RESULT: Template: 1YQ4.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 : 2669 -7187 -2.69 -15.73 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -2.69 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_1YQ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQ4-query.scw PDB file : Tito_Scwrl_1YQ4.pdb: