Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLHPMWENYPALSKELTETLKRMEETVRLKNKPVEQAIKETIHAGGKLLRPAYQL-----LFSQFGPEQDRDKAIALAASIEMLHTATLIHDDI--VDEADLRRGQPNIRSQFGNVVSVYAGDYLFVCCFKLLSDYSTSLKSLQLNSRSMEKVLNGE-------LGQMDDRY--NYELSVKEYLENISGKTAELFQLSCSVGAFESGT-SERFAKKAGDIGLSIGMAFQIIDDILDYTKESQEIGKPVLEDMRQGVYSLPLIYSLQKNKPKLLPYLEKKAAMTEEDVDAVRKIVEHTGGVEEARKLAASYTEKALKEIKKLPATSLRTKENLFSLTQLILDRKD 3Q1O Chain:D ((43-251)) ----------------------------------LEKAFFEMVLNGGKRFRPKLFLAVLCALVGQKDYSNQQTEYFKIALSIECLHTYSLIHDDLPCMDNAALRRNHPTLHAKYDETTAVLIGDALNTYSFELLSN--ALLESHII--VELIKILSANGGIKGMILGQALDCYFENTPLNLEQLTFLHEHKTAKLISASLIMGLVASGIKDEELFKWLQAFGLKMGLCFQVLDDIIDVTQDEEESGK--------------------------------------------------------------------------------------------------

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 : 820 -19066 -23.25 -99.30 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain D : 0.68 3D Compatibility (PKB) : -23.25 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.336

(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: