Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKLAADQLTLSYDSTVIIDGVDLKIEEGKITALIGANGCGKSTILKSLARLMAPKSGTVLLEGKDIHRQPSKEVAKKLAILPQSPQAPEGLTVEELCYFGRHPHKKLLSKHTQEDHDMVEWALEATGMIELKDRTLDALSGGQRQRAWISMALAQGTDLLLLDEPTTYLDISHQIEVLELLKKLNRDHGRTVVMVLHDLNQAAQYADYLISVLDGKIYNAGTPEDVFTQPFFREVFGLECCIMRSPIDQKPMCLPTGLCPKLRAK 3J15 Chain:B ((364-534)) ------------------------EIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKV-------------EWDLTVAYKPQYIKAEYEGTVYELL-------SKIDSSKLNSNFYKTEL-LKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLI-VFEGE-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3J15.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 764 -94661 -123.90 -553.57 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -123.90 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_3J15.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J15-query.scw PDB file : Tito_Scwrl_3J15.pdb: