Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAFQIANKTVGKDAPVFIIAEAGINHDGKLDQAFALIDAAAEAGADAVKFQMF-----QADRMYQKDPGLYKTAAGKDVSIFSLVQSMEMPAEWILPLLDYCREKQVIFLSTVCDEGSADLLQSTSPSAFKIASYEINHLPLLKYVARLNRPMIFSTAGAEISDVHEAWRTIRAEGNNQIAIMHCVAKYPAPPEYSNLSVIPMLAAAFPEAVIGFSDHSEHPTEAPCAAVRLGAKLIEKHFTIDKNLPGADHSFALNPDELKEMVDGIRKTEAELKQGITKPVSEKLLGSSYKTTTAIEGE--IRNFAYRGIFTTAPIQKGEAFSEDNIAVLRPGQKPQGLHPRFFELLTSGVRAVRDIPADTGIVWDDILLKDSPFHE 3CM4 Chain:A ((7-317)) ---FKIGNRSVGYNHEPLIICEIGINHEGSLKTAFEMVDAAYNAGAEVVKHQTHIVEDEMSDEAKQVIPG------NADVSIYEIMERCALNEEDEIKLKEYVESKGMIFISTPFSRAAALRLQRMDIPAYKIGSGECNNYPLIKLVASFGKPIILSTGMNSIESIKKSVEIIR-EAGVPYALLHCTNIYPTPYEDVRLGGMNDLSEAFPDAIIGLSDHT-LDNYACLGAVALGGSILERHFTDRMDRPGPDIVCSMNPDTFK-----------ELKQG----AHALKLARGGKKDTIIAGEKPTKDFAFASVVADKDIKKGELLSGDNLWVKRPGN-------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CM4.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 : 1543 20206 13.09 66.47 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 13.09 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_3CM4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CM4-query.scw PDB file : Tito_Scwrl_3CM4.pdb: