Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAPWVALALLWGSLCAGSGRGEAETRECIYYNANWELERTNQSGLERCEGEQDKRLHCYASWRNSSGTIELVKKGCWLDDFNCYDRQECVATEENPQVYFCCCEGNFCNERFTHLPEAGGPEVTYEPPPTAPTLLTVLAYSLLPIGGLSLIVLLAFWMYRHRKPPYGHVDIHEDPGPPPPSPLVGLKPLQLLEIKARGRFGCVWKAQLMNDFVAVKIFPLQDKQSWQSEREIFS---TPG-MKHENLLQFIAAEKRGSNLEVELWLITAFHDKGSLTDYL-KGNIITWNELCHVAETMSRGLSYLHEDVPWCRGEGHKPSIAHRDFKSKNVLLKSDLTAVLADFGLAVRFEPGKPPGDTHGQVGTRRYMAPEVLEGAINFQRDAFLRIDMYAMGLVLWELVSRCKAADGPVDEYMLPFEEEIGQHPSLEELQEVVVHKKMRPTIKDHWLKHPGLAQLCVTIEECWDHDAEARLSAGCVEERVSLIRRSVNGTTSDCLVSLVTSVTNVDLPPKESSI 4OH4 Chain:B ((53-250)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GGFGDVYKA-ILKDGSAVAIKKLI-H-----DREFMAEMETIGKIKHRNLVPLLGYCKVGD----ERLLVYEFMKYGSLEDVLH--VKLNWSTRRKIAIGSARGLAFLHHNC--------SPHIIHRDMKSSNVLLDENLEARVSDFGMA-RLMSAMDHLVT--LAGTPGYVPPEY------YQFRCSTKGDVYSYGVVLLELLTGKRPTDSP----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4OH4.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 : 912 2872 3.15 16.13 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : 3.15 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.134

(partial model without unconserved sides chains): PDB file : Tito_4OH4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4oh4-query.scw PDB file : Tito_Scwrl_4OH4.pdb: