Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRQLVSSSRVEQKNWDR-------PVLSEWIEQFVNTVQAVQ-TPVQIVAHSFGCLTSVAALAEHPELQLQVKKLILVAPANPARFGEA-----------------------------GFA--RH----------SLTDY---K-------------D---------YF-------HQ--LKINVPATLLISENDPWLDFFDALQLAKSW-QLTPINLGQVGHINVASGFGPFPDLLNHLLPEDSMCSHSSIDPVKTHFSLKFA 4K2A Chain:C ((53-295)) ------HCIAPDLIGYGQSGKPDISYRFFDQADYLDALIDELGIASAYLVAQDWGTALAFHLAARRP---QLVRGLAFMEFIRPMRDWSDFHQHDAARETFRKFRTPGVGEAMILDNNAFVERVLPGSILRTLSEEEMAAYRAPFATRESRMPTLMLPRELPIAGEPADVTQALTAAHAALAASTYPKLLFVGSPGALVSPAFAAEFAKTLKHCAVIQLGAGGHYLQEDHPEAIGRSVAGWIAGIEAASAQR-------------

General information: TITO was launched using: RESULT: Template: 4K2A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 547 -5812 -10.62 -36.55 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.62 3D Compatibility (PKB) : -10.62 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_4K2A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K2A-query.scw PDB file : Tito_Scwrl_4K2A.pdb: