Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGRRELCTPLRTIMTPGPVEVDPRVLRVMSTPVVGQFDPAFTGIMNETMEMLRELFQTKNRWAYPIDGTSRAGIEAVLASVIEPEDDVLIPIYGRFGYLLTEIAERYGANVHMLECEWGTVFDPEDIIREIKKVKPKIVAMVHGETSTGRIHPLKAIGEACRTEDALFIVDAVATIGGCEVKVDEWKIDAAIGGTQKCLSVPSGMAPITYNERVADVIAARKKVERGIATQADRAALSGNRPITSNYFDLSQLEDYW---SERRLNHHTEATTMLYALREGVRLVLEEGLETRFERHRHHEAALAAGIKAMGLRLF-GDDSCKMPVVTCVEIPGGIDGESVRDMLLAQFGIEIASSFGPLAGKIWRIGTMGYSCRKENVLFVLAGLEAVLLRHNAGIEAGKALQAALDVYENAGRQAAV 2CH1 Chain:A ((9-380)) -SLRNPLIIPEKIMMGPGPSNCSKRVLTAMTNTVLSNFHAELFRTMDEVKDGLRYIFQTENRATMCVSGSAHAGMEAMLSNLLEEGDRVLIAVNGIWAERAVEMSERYGADVRTIEGPPDRPFSLETLARAIELHQPKCLFLTHGDSSSGLLQPLEGVGQICHQHDCLLIVDAVASLCGVPFYMDKWEIDAVYTGAQ-VLGAPPGITPISISPKALDVIRNRRTKSKVF------------------YWDLLLLGNYWGCYDEPKRYHHTVASNLIFALREALAQIAEEGLENQIKRRIECAQILYEGLGKMGLDIFVKDPRHRLPTVTGIMIPKGVDWWKVSQYAMNNFSLEVQGGLGPTFGKAWRVGIMGECSTVQKIQFYLYGFKESL-----------------------------

General information: TITO was launched using: RESULT: Template: 2CH1.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 : 2153 -189393 -87.97 -516.06 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -87.97 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.566

(partial model without unconserved sides chains): PDB file : Tito_2CH1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CH1-query.scw PDB file : Tito_Scwrl_2CH1.pdb: