Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSFGSQVDFSLPHIKIRGLNKFYQSQGQKLHALKEINLDIPQGKILGIIGKSGAGKSSLLRTLNGLEQVNTGSIHIHQQNIAELSHSELIQTRQRIGMIFQHFNLMSAKTVWENVALPLKVSNYNKADIDQRVNEVLALVGLADKSNYYPSQ-----------LSGGQKQRVGIARALVHHPEILLCDEATSALDPESTATILALLKKINQGLGLTIVLITHEMQVIREICDQVVVIDQGEIVEAGQVWSVFSRPEQQITQELLNLEQITLPFKINPLPDEDSTHIIVKLKYEAEAHQVPDFQELLARFKAPVNLYQSQVDTIQGHIIGSLLVGIPNVEIDLSSIQQDALTAIAQFEVLGYARPAH 4AYX Chain:A ((360-574)) ---------------------------------FQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNP---VWLRSKIGTVSQEPILFSC-SIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRN---FPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMD--GRTVLVIAHRLSTIKN-ANMVAVLDQGKITEYGKHEELLSKP-NG------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AYX.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 : 953 -41439 -43.48 -203.13 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -43.48 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_4AYX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AYX-query.scw PDB file : Tito_Scwrl_4AYX.pdb: