Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAFQIANKTVGKDAPVFIIAEAGINHDGKLDQAFALIDAAAEAGADAVKFQMFQADRMYQKDPGLYKTAAGKDVSIFSLVQSMEMPAEWILPLLDYCREKQVIFLSTVCDEGSADLLQSTSPSAFKIASYEINHLPLLKYVARLNRPMIFSTAG-AEISDVHEAWRTIRAEGNNQIAIMHCV--AKYPAPPEYSNLSVIPMLAAAFPEAVIGF-SDHSEHPT----EAPCAAVRLGA--KLIEKHFTIDKNLPGADHSFALNPDELKEMVDGIRKTEAELKQGITKPVSEKLLGSSYKTTTAIEGEIRNFAYRGIFTTAPIQKGEAFSEDNIAVLRPGQKPQGLHPRFFELLTSGVRAVRDIPADTGIVWDDILLKDSPFHE 1VS1 Chain:A ((26-275)) --VVEVEGVRIGGG-SKAVIA--GPCSVESWEQVREAALAVKEAGAHMLRGGAFKPRTS----------P-------YS-FQ--GLGLEGLKLLRRAGDEAGLPVVTEVLDPRHVETVSRY-ADMLQIGARNMQNFPLLREVGRSGKPVLLKRGFGNTVEELLAAAEYILLEGNWQVVLVERGIRTFEPSTRFTLDVAAVAVLKEAT-HLPVIVDPSHPAGRRSLVPALAKAGLAAGADGLIVEVHPNPEEAL--SDAKQQLTPGEFARLMGELRWHRL--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1VS1.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 : 1485 -81538 -54.91 -339.74 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -54.91 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_1VS1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VS1-query.scw PDB file : Tito_Scwrl_1VS1.pdb: