Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGMTMSQFDQSITLPSGVQLKNRLMLSPMTT-QLSFFNGVITEDEITYYKQRSKG-LGAVITGAANVQDIGKGWPGELSIAHDEMIPRLSELAKAIQGEGAKAIIQIFHGGRMTSRATLSGEQPVSASAVAAKRPDAETPRAMSEEEIVETIQAFGKATRRAIESGFDGIELHGANTYLIQQFFSPHSNRREDQWGGSLENRYRFIEELLTTVFSAVEQYAKKPFIVGYRFSPEEYETPGIRFEDTIWLLERLRESKLDYLHVSLNMYDRIARSDKYNDKSI--LEVVHNTIQGKIPLVGVGGIRNREDVEQVLK--YAELAAIGQQMIVDPDWAEKLLENREDEFVTKPFEEAYKELYLPSPLYNFLKARYQ 3GR8 Chain:B ((13-316)) -----------------GLTLKNRIVMSPMCMYSCDTKDGAVRTWHKIHYPARAVGQVGLIIVEATGVTPQGRISERDLGIWSDDHIAGLRELVGLVKEHGAAIGIQLAHAGR---KSQVPGE--IIAPSAVPFDDSSPTPKEMTKADIEETVQAFQNGARRAKEAGFDVIEIHAAHGYLINEFLSPLSNRRQDEYGGSPENRYRFLGE----VIDAVREVWDGPLFV--RISASDYHPDGLTAKDYVPYAKRMKEQGVDLVDVSSGAI-VPARMNVYPGYQVPFAELIRR--EADIPTGAVGLITSGWQAEEILQNGRADLVFLGRELLRNPYW---------------------------------------

General information: TITO was launched using: RESULT: Template: 3GR8.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 : 1819 43239 23.77 145.10 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : 23.77 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.553

(partial model without unconserved sides chains): PDB file : Tito_3GR8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GR8-query.scw PDB file : Tito_Scwrl_3GR8.pdb: