Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFHISTLDQIKIAYIGGGSQGWARSLMSDLSIDERMSGTVALYDLDFEAAQKNEVIGNHSG--NGR-WRYEAVSTLKKALSAADIVIISILPGSLDDMEVDVHLPERCGIYQSVGDTVGPGGIIRGLRAVPIFAEIARAIRDYAPESWVINYTNPMSVCTRVLYKV--FPGIKAIGCCH--EVFGTQKLLAEMVTERLGIEVPRREDIRVNVLGINHFTWITKASYRHIDLLPIFREFSAHYGESGYELEGECWRDSVFCSAHRVAFDLFETYGAIPAAGDRHLAEFLPGPYLKQPEVWKFHLTPISFRKQDRAEKRQETERLIVQQRGVAEKASGEEGVNIIAALLGLGELVTNVNMPNQGQVLNLPIQAIVETNAFITRNRVQPILSGALPKGVEMLAARHISNQEAVADAGLTKDTGLAFQAFLNDPLVQIDRSDAEQLFNDMLQCIMQS 4ND2 Chain:A ((1-301)) -----MIERRKIAVIGSGQIGGN--IAYIVGK-DNL-ADVVLFDIAEGIPQGKALDITHSMVMFGSTSKVIGTNDY-ADISGSDVVIITASIPGRPKDDRSE-------LL---------------FGNARILDSVAEGVKKYCPNAFVICITNPLDVMVSHFQKVSGLPHNKVCGMAGVLDSSRFRTFIAQHF------GVNA-SDVSANVIGGHGDG-----------MVPATSSVSVGGV--------------------PLSS-FIKQ-GLITQ-------EQID-EIV---CH-------TRIAWKEVADN------LKTGT---AYFAPAAAAVKMAEAYLKDKKAVVPCSAFCSN-HYGVK-GIYMGVPTIIGKNGVEDILELDLTPLEQKLLGE---------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ND2.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 : 1660 -231823 -139.65 -788.51 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -139.65 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_4ND2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ND2-query.scw PDB file : Tito_Scwrl_4ND2.pdb: