Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGRRELCTPLRTIMTPGPVEVDPRVLRVMSTPVVGQFDPAFTGIMNETMEMLRELFQTKNRWAYPIDGTSRAGIEAVLASVIEPEDDVLIPIYGRFGYLLTEIAERYGANVHMLECEWGTVFDPEDIIREIKKVKPKIVAMVHGETSTGRIHPLKAIGEACRTEDALFIVDAVATIGGCEVKVDEWKIDAAIGGTQKCLSVPSGMAPITYNERVADVIAARKKVERGIATQADRAALSGNRPITSNYFDLSQLEDYW---SERRLNHHTEATTMLYALREGVRLVLEEGLETRFERHRHHEAALAAGIKAMGLRLFGDDSCKMPVVTCVEIPGGIDGESVRDMLLAQFGIEIASSFGPLAGKIWRIGTMGYSCRKENVLFVLAGLEAVLLRHNAGIEAGKALQAALDVYENAGRQAAV 2HUU Chain:B ((12-373)) ---REPLVTPNKLLMGPGPSNAPQRVLDAMSRPILGHLHPETLKIMDDIKEGVRYLFQTNNIATFCLSASGHGGMEATLCNLLEDGDVILIGHTGHWGDRSADMATRYGADVRVVKSKVGQSLSLDEIRDALLIHKPSVLFLTQGDSSTGVLQGLEGVGALCHQHNCLLIVDTVASLGGAPMFMDRWEIDAMYTGSQKVLGAPPGITPVSFSHRAVERYKRR------------------NTKVKVYYWDMSLVGDYWGCFGRPRIYHHTISSTLLYGLREAIAMACEEGLPALIARHEDCAKRLYRGLQDAGFELYADPKDRLSTVTTIKVPQGVDWLKAAQYAMKTYLVEISGGLGPTAGQVFRIGLMGQNATTERVDRVL------------------------------------

General information: TITO was launched using: RESULT: Template: 2HUU.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 : 2178 -167075 -76.71 -465.39 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -76.71 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_2HUU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HUU-query.scw PDB file : Tito_Scwrl_2HUU.pdb: