Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREPSSLQERDPDPFSEQMIALMVAAAGIECEVLDAEPLRTGSA-TTYRVDVRDQEGDRRTVVFKAAVEGDATGLRREPALLRYVADHTSIP-VPDVYGSHLQPD---DLPAPSFVMEHVEGGSPTQASARENGDTGWPDGILDDIVRQAGRHLAALHDCGPVSGFGPITVDDGTLTVTDPASSWQSWLWELAAEI----EGD-------TRLD---GLASTVQSVLDSEIPEL--PDVDPVLAHYDYQPRNVVVDEGAGRVRAVLDWGGARSVHDEFELAVTEQYCSGWAPLGSDKRQRVRASLYEGYRDRRSLATDEAFRRRRRLYLLLSTVASLSWAPYWSGPRAERFVASQRSLVESLLDQGP 3I1A Chain:B ((5-299)) -------------PIQAQQLIELLKVHYG-IDIHTAQFIQGGADTNAFAYQADSESK---SYFIKLKYGY---HDEINLSIIRLLHDS-GIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQ--------N----LTGKQWKQLGKVLRQIHET-SVPISIQQQLR-----KEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVG--NEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWN-----KPHEIQYFYEGYGEINV-D-----KTILSYYRHERIVEDIAVYGQDLLSR--------------------

General information: TITO was launched using: RESULT: Template: 3I1A.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 : 1118 8942 8.00 32.63 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 8.00 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.318

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: