Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------MEFVFNGFYTLI--SAVIVLLLGRFLVN-----RIDFLE--RYNIPEPVAGGLVAAVVSLLVHTFW-------------GYSIVFSSELQTSF-----MLVFFASIGLSANFMKLKEGGTA-LVIFLICVASFIVVQNAVGMSLATLLGLDPLIGLIA---GSITLTGGHGTAGAWGEILESQHGIQGAL-ALGMASATFGLIMCVIGGPLAKLLINRYSLA----------------QAKTNAEIQQRDTHVEQNSDDLAPFENP---HQVRLIT--ADNAITTLGMFAACLAFAEFMTGFSK-GTWFEL----PTFVWALGGGVILRNILESVLKV-DIFDRAIDVFGNASLSLYLAMALLSLKLWQLADLAGPLVVILVAQTL--------------------TMALYAAFVT-FRVMG----------KNYDAAVLAASHCGFGMG-----ATPTAVANMQAITNMYGPSHK--AFLIVPLCGAFFVDLINATVIQLMLKFIA 5L2R Chain:A ((64-604)) DFHFSAIFQPTDPHHHQTEFAKVEGSEKYVEEVEVFGRQALKVNPEALTILAHRAFSDVHHFFRKDHLEGWRRAIEDPEASDNDRYVATTLLKNACIAAGRVLPSCQDTGTAIVLGKRGELCWTGGEDEKYLSKGIWNAYRYHNLRYSQTAALDMFKECNTGD---NLPAQLDLLAVPGSDYEFLFIAKGGGSANKAYLYQETKALLNPKSLRAFIEEKLKTLGTAACPPYHIALVIGGTSAEMTMKTVKLASCRYYDSLPTTGDKYGRAFRDPEWEKIVMEVAQKSGIGAQFGGKYFAHQARVIRLPRHGASCPVGLAVSCSADRQILAHINKSGIYIEQLEQNPAQYLPTSVKVDLKRPIDKVRQQLSQYPVGTRVMLNG--TLIVARDIAHAKIKEMMDNGEPLPEYMKTSPIYYAGPAKTPEGYASGSFGPTTAGRMDSYVDLFQSHGGSYITLAKGNRSKQVTDACKKHGGFYLGSIGGPAAILAKDSIKQVTCLAFPELGMEAVWKIEVEDFPAFIVVDDKGNDMYSKTLA

General information: TITO was launched using: RESULT: Template: 5L2R.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 : 2013 -112928 -56.10 -278.83 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -56.10 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.167

(partial model without unconserved sides chains): PDB file : Tito_5L2R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5L2R-query.scw PDB file : Tito_Scwrl_5L2R.pdb: