Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMNLSKVCKGVRQLKKYGPFLAIFFIALAFLMPHLFTHKLILGADAPFHYNRFYDAAQQIKYGDFHYFPSLYGFQQSGRIVNAVYGPFFAYLQGLIVLLAGSWFHYQILSNFILYLISGFSMLILLRYVNVRNWVSVPVAVLFMSTYSIQYWSINQGFTSWGTCFYPLCMIPIADFVLHKKFPVIKVAVSVGLMTQIHLLSSIMLALMYI--PFYLYYFFNQTEKGKALLQLIKSVLLYFVLTANIWAGLAIVYSGNKILPPFVNREMSQKAIDLDGSYWLHYPKAFPILILSGFLLFIFFQQKNTLFQKIVLYTSLVFFFLSTSLIPWTTLIEKNVPFISLIQFPFRFFVPFTLLLLLYLALSLNQWSEQKWFRLLSIFGILIFSAQTIQNLYQHLEKWENETFVSRHTYLFDTPEEARKTFFSKDMSTSLFVFQKTTPDYLPIYKETKDNKYDRYNEEILE----NETTFIKTHPGGLLTIKWKNTGDKTVHIPV--IVYDRTVLQQNGKTLTDYEVTDIGTPIVKQQKGINELTLHYQTPIYFYFILSLTLIGWFTLLCLFIYHRYKLLRA 4QUV Chain:A ((23-427)) -------FSWLVLMIALPPLVYYLWICVTY-----YQGELVFTSDAA-AWRRFWSHVAPPT----WHAAGLYAAWFLGQAALQVWAPG-PTVQGMK-LPDGSRLDYRM-----------------------------NGIFSFLFTLAVVFGLVTMGWLD----------------------ATVLYDQLGPLLTVVNIFTFVFAGFLYFWGPFYDYFM------GTALNPRIGSLDLKLFCEARP----------GMIFWLLMNLSMAAKQYELHGT------VTVPMLLVVGFQSFYLIDYFI---------------HEEAVLTTWDIKHEK-----------FGWMLCWGDLVWLPFTYT--------------------LQAQYLVHHTHDLPVWGIIAIVALNLAGYAIFRGANIQKHHFRRDPNRIVWGKPAK-----YIKTKQG------SLLLTSGWWGIARHMNYFGDLMIALSWCLPAAFGSPIPYFHIVYFTILLLHREKRDDAMCLAKYGEDWLQYRKKVP---WRIVPKIY-----------------------------

General information: TITO was launched using: RESULT: Template: 4QUV.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 : 1636 -176970 -108.17 -459.66 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -108.17 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.131

(partial model without unconserved sides chains): PDB file : Tito_4QUV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QUV-query.scw PDB file : Tito_Scwrl_4QUV.pdb: