Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIRNPFKDKYYSHDRRALNMLALRVPGLAFILMIYIASIVLQFVSGGWSILLLYAFTILIAIFALLHWHSYRWVKKRVILYFAVQGLITFALANLMTGFFILVIIGLYAFLIGQIIGMADRRRTFLILYLLLLLVINSAYHLHKGEVLHFIVIAAPIMIVIITYAATFFAQVDEKIKAQLTLERLELAHQQVEQLTLQNERQRMARDLHDTLAQGLVSLNMQLDAIHVHLAKGNTERAKEI--IQQSMKRVKSTIADARSAIDDLRSKSEEIGVLKERITSLMDHFIESTG-MACLLDYRLHQVLDVRTAENCYYIIGECMTNAAKHAEAKTIWISI---WDDEKGRLHLTVKDNGKGFDVEKGKKKRGHYGLLGIQERVRAINGQFNIKSTKLKGTQIEITVPIQGEMQDE 3GIG Chain:A ((15-214)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ANERIAELVKLEERQRIARDLHDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVSSMKGIRLKDELINI---------KQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKE----VVITVSDDGT-FKGEENSFS--H-GLLGMRERLEFANGSLHIDTE--NGTKLTMAIP--------

General information: TITO was launched using: RESULT: Template: 3GIG.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 : 609 -62635 -102.85 -326.22 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -102.85 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.300

(partial model without unconserved sides chains): PDB file : Tito_3GIG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GIG-query.scw PDB file : Tito_Scwrl_3GIG.pdb: