Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAFQIANKTVGKDAPVFIIAEAGINHDGKLDQAFALIDAAAEAGADAVKFQMFQADRMYQKDPGLYKTAAGKD-VSIFSLVQSMEMPAEWILPLLDYCREKQVIFLSTVCDEGSADLLQSTSPSAFKIASYEINHLPLLKYVARLNRPMIFSTAGAEISDVHEAWRTIRAEGNNQIAIMHCVAKYPAPPEYSNLSVIPMLAAAFPEAVIGFSDHSEHPTEAPCA-AVRLGAKLIEKHFTIDKNLPGADHSFALNPDELKEMVDGIRKTEAELKQGITKPVSEKLLGSSYKTTTAIEGEIRNFAYRGIFTTAPIQKGEAFSEDNIAVLRPGQKPQGLHPRFFELLTSGVRAVRDIPADTGIVWDDILLKDSPFHE 3G8R Chain:A ((6-304)) ---------------PLFIFEMAN-NHMGNVEHGVALIRAIRES-CQGFDFDFGFKLQYRNLDTFIHSSFKGRDDVKYVKRFEETRLQPEQMQKLVAEMKANGFKAICTPFDEESVDLIEAHGIEIIKIASCSFTDWPLLERIARSDKPVVASTAGARREDIDKVVSFMLHRGKD-LTIMHCVAEYPTPDDHLHLARIKTLRQQYAGVRIGYSTHEDPDLMEPIMLAVAQGATVFEKHVGLPTDQYGIN-NYSANPEQVRRWLAAAARALAMLGDGEDDAVSE--------TEQASLRSLR----RGVFATRPVAAGEALTADNVSFAFP---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3G8R.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 : 1357 -30598 -22.55 -103.02 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -22.55 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_3G8R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3G8R-query.scw PDB file : Tito_Scwrl_3G8R.pdb: