Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLNIIRLLAESLPRISDGNENTDVWVNDMKFKMAYSFLNDDIDVIERELEQTVRSDYPLLSEAGLHLLQAGGKRIRPVFVL--LSGMFG--DYDINKIKY--VAVTLEMIHMASLVHDDV--IDDAELRRGKPTIKAKWDNRIAMYTGDYMLAGSLEMMTRINEPKAHRILSQTIVEVCLGEIE-----QIKDKY--NMEQNLRTYLRRIKRKTALLIAVSCQLGAIASG-ADEKIHKALYWFGYYVGMSYQIIDDILDFTSTEEELGKPVGGDLLQGNVTLPVLYALKNPALKNQLKLINSETTQEQLEPIIEEIKKTDAIEASMAVSEMYLQKAFQKLNTLPRGRARSSLAAIAKYIGKRKF 3Q1O Chain:D ((36-256)) ----------------------------------------------------LESFHPYLEKAFFEMVLNGGKRFRPKLFLAVLCALVGQKDYSNQQTEYFKIALSIECLHTYSLIHDDLPCMDNAALRRNHPTLHAKYDETTAVLIGDALNTYSFELLSNA-LLESHIIVELIKILSANGGIKGMILGQALDCYFENTPLNLEQLTFLHEHKTAKLISASLIMGLVASGIKDEELFKWLQAFGLKMGLCFQVLDDIIDVTQDEEESGKTTHLD------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3Q1O.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 856 -18030 -21.06 -87.95 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain D : 0.67 3D Compatibility (PKB) : -21.06 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_3Q1O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3Q1O-query.scw PDB file : Tito_Scwrl_3Q1O.pdb: