Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITANKGEWSEVYALFKLLSEGKLYAGDKDLNKIPNLIYPIISILRQESQDLLTYSPEPNHGVVHIQNGTSTFTISQSDFKGITELLLTEIKKKQPTASFSIPEVETFISQYNSKKIKAKSSAKSDIRIIIYDQKIGTTPELGFSIKSKLGKASTLLNASQATNFVYKVKNLTLSPQEIDDFNQLEFTVPIIQGRIHHLESLGGSVEFSHITNDVFNNNLILLDSLLPNIISEALYKYYTSPITSVKEIFEQVASANPIHYSLQHQHPFYEYKVKKLLCEIAIGMMPSTVWTGNNIDATGGYLVIKEDGDVICYHLYHRHEFEEYLYNNTRFEAASKSRHNYGNLFIENGELYMTLNLQIRFK 4OH8 Chain:B ((5-21)) -------------------------------------------------------------------------------------------------DAFSIPELQNFLTILEK---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4OH8.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 : 8 -940 -117.50 -55.29 target 2D structure prediction score : 0.94 Monomeric hydrophicity matching model chain B : 0.51 3D Compatibility (PKB) : -117.50 2D Compatibility (Sec. Struct. Predict.) : 0.94 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.615

(partial model without unconserved sides chains): PDB file : Tito_4OH8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OH8-query.scw PDB file : Tito_Scwrl_4OH8.pdb: