Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKLLAFALCTGAYAALFAYSVNSEQKTATSEMTDVSRLMPVKIKQTVKGQEEEMLIDTVKEANRKNIKISIAGAQHSMGGHTYYEDGIVLDMTGYNKILSLDQEKKTIRVQSGATWNDIQKYVNPYGLAVKVMQSQNIFTIGGSLSANAHGRDIR-YGSLIDTVKSFRLLKADGMIITVTPK---DDLFTAVIGGYGLFGVILDVTLELTD----------------DELYVMKTE--KMNYSTYSDYFSKHVKGNPDVRMHLARISTAKKGFLKDMYVTNYVLANHQDQLSSYSELKEDE---YTGATKFALGLSRRYEWGRNWLWDTQQSYFLSQNGTEISRNNVMRSESKFLEYENNDNTDVLQEYFVP---VKEYGSYIDDLRQTLSDEDLNLLNITIRYVQKNEKADLSYAKDDMFSLVLLINEGFSKEDQADTARIIRRMTDVAIKHGGSYYLPYMTYQTKAQMRQAYPKSEAFFQKKRTYDPDERFMNYFYQRYK 4G3T Chain:A ((85-466)) -------------------------------------------------------------------------------------------------NRIHSIDSGTRLVDVDAGVSLDQLMKAALPHGLWVPVLPGTRQVTVGGAIGCDIHGKNHHSAGSFGNHVRSMELLTANGEVRHLTPAGPDSDLFWATVGGNGLTGIILRATIEMTPTETAYFIADGDVTGSLDETIAFHSDGSEANYTYSSAWFDAISKPPKLGRAAISRGSLAK-----------------LDQLP--SKLQKDPLKF-------------------------GTYRNKVQNLTQFYH--------GFLQY----------QFVVPTEAVEEFKSIIVDIQRSGHYSFLNVFKL----FGPGNQAPLSFP-------IPGWNVCVDFPIKAGLHEFVTELDRRVLEFGGRLYTAKDSRTTAETFHAMYPRIDEWIRIRRSVDPDGVFASDMARRLQ

General information: TITO was launched using: RESULT: Template: 4G3T.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 : 1534 -139398 -90.87 -455.55 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -90.87 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.331

(partial model without unconserved sides chains): PDB file : Tito_4G3T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G3T-query.scw PDB file : Tito_Scwrl_4G3T.pdb: