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 4G3U Chain:A ((76-466)) ----------------------------------------------------------------------------------------GLVIDMPALNRIHSIDSGTRLVDVDAGVSLDQLMKAALPHGLWVPVLPGTRQVTVGGAIGCDIHGKNHHSAGSFGNHVRSMELLTANGEVRHLTPAGPDSDLFWATVGGNGLTGIILRATIEMTPTETAYFIADGDVTGSLDETIAFHSDGSEANYTYSSAWFDAISKPPKLGRAAISRGSLAK-----------------LDQLP--SKLQKDPLKF-------------------------GTYRNKVQNLTQFYH--------GFLQY----------QFVVPTEAVEEFKSIIVDIQRSGHYSFLNVFKL----FGPGNQAPLSFP-------IPGWNVCVDFPIKAGLHEFVTELDRRVLEFGGRLYTAKDSRTTAETFHAMYPRIDEWIRIRRSVDPDGVFASDMARRLQ

General information: TITO was launched using: RESULT: Template: 4G3U.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 : 1528 -139068 -91.01 -441.48 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -91.01 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.368

(partial model without unconserved sides chains): PDB file : Tito_4G3U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G3U-query.scw PDB file : Tito_Scwrl_4G3U.pdb: