Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEKIKQAASFLYWGKMMAGFYRTNL--GRVALQQRNI------ALNAKQRHLLLLIDHEDFQTLNTEFK-KRIAPPELIQQLIDLKLI----APISENDSEFTEQIPLSESPTTSLEVKAQQKSTIDENESAD-LTG-----EIKVSLEPSCH-S-S-NIENTQPPIP-------VQQLTFEEI---QLL-MKQSLSQYCGLM------AKPLIQKIEQIKNLQELKMCQMQ----WITSLQESRIPPHELTHTLHSINYSIQLIQQKN--------------------------- 3G3L Chain:A ((10-305)) -----PAEAKYYIAGTITDATTGQELTTAKVTLGDKSVTSSFNEQVNYKAEGYALVVSADGYYPVKRQVYLNQVSDGQTSVATVNVALVSVEAAVIPPVVPPTDPETDINEGEATKVADKAVEVAKPSESTVTDMLAGTTATPEEKKALDETLEMAGGMKVGETTPEVLADGSILAITPVKFTNPIQDAPAMVPYFYNEGCELTGDVKEVAAPVAVAADIQKAFLSNAAKALNMNAGFVQKIGYTRISVLN-GYSILGYTIKGQLVSKKLTFLISGKYYEGIVSYQKSVMIYPNYYS

General information: TITO was launched using: RESULT: Template: 3G3L.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 : 811 17206 21.22 77.85 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 21.22 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.181

(partial model without unconserved sides chains): PDB file : Tito_3G3L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3G3L-query.scw PDB file : Tito_Scwrl_3G3L.pdb: