Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKKTIAVIGSGAAALSLAAAF-PPSYEVTVITKKSVKNSNSVYAQGGIAAAYA-----KDDSIEAHLEDTLYAGCGHNNLAIVADVLHDGKMMVQSLLERGFPFDRNERGGVC---------------------LGREGAHSYNRIFHAGGDATGRLLIDYLLKRI-NSKIKLIENETAADLLIEDGRCIGVMTKDS-KGRLKVRHADEVVLAAGGCGNLFLHHTNDLTVTGDGLSLAYRAG-AELTDLEFTQFHPTLLVKNGVSYGLVSEAVRGEGGCLVDENGRRIMAERHPL-GDLAPRDIVSRVIHEEMAKG--------NRVYIDFSAIS--DFETRFPTITAICEK-AGIDIHSGKIPVAPGMHFLMGGVSVNRWGETTVPGLYAIGETACSGLHGANRLASNSLLEALVFGKRAAEHIIQKPVYNRQY-Q---SG------------LETSVFYEVPDIEGHELQSKMTSHMSILREQSSLI----ELSIWLHTLPFQEVNV----KDITIR-QMELSHLWQTAKLMTFSALLREESRGAHFRTDFPHAEV-SWQGRQIVHTKKGTKIRKNEGIWNNESFTAEKITESLFS 2BS2 Chain:A ((4-571)) -QYCDSLVIGGGLAGLRAAVATQQKGLSTIVLSLIPVKRSHSAAAQGGMQASLGNSKMSDGDNEDLHFMDTVKGSDWGCDQKVARMFVNTAPKAIRELAAWGVPWTRIHKGDRMAIINAQKTTITEEDFRHGLIHSRDFGGTKKWRTCYT-ADATGHTMLFAVANECLKLGVSIQDRKEAIALIHQDGKCYGAVVRDLVTGDIIAYVAKGTLIATGGYGRIYKNTTNAVVCEGTGTAIALETGIAQLGNMEAVQFHPTPLFPS---GILLTEGCRGDGGILRDVDGHRFMPDYEPEKKELASRDVVSRRMIEHIRKGKGVQSPYGQHLWLDISILGRKHIETNLRDVQEICEYFAGIDPAEKWAPVLPMQHYSMGGIRTDYRGEAKLKGLFSAGEAACWDMHGFNRLGGNSVSEAVVAGMIVGEYFAEHCANTQVDLETKTLEKFVKGQEAYMKSLVESKGTEDVFKIKNRMKDVMDDNVGIFRDGPHLEKAVKELEELYKKSKNVGIKNKRLHANPELEEAYRVPMMLKVALCVAKGALDRTESRGAHNREDYPKRDDINWLNRTLASWPNP--------------------------

General information: TITO was launched using: RESULT: Template: 2BS2.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 : 3071 31679 10.32 63.36 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 10.32 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_2BS2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BS2-query.scw PDB file : Tito_Scwrl_2BS2.pdb: