Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITANKGEWSEVYALFKLLSEGKLYAGDKDLNKIPNLIYPIISILRQESQDLLTYSPEPNHGVVHIQNGTSTFTISQSDFKGITELLLTEIKKKQPTASFSIPEVETFISQYNSKKIKAKSSAKSDIRIIIYDQKIGTTPELGFSIKSKLGKASTLLNASQATNFVYKVKNLTLSPQEIDDFNQLEFTVPIIQGRIHHLESLGGSVEFSHITNDVFNNNLILLDSLLPNIISEALYKYYTSPITSVKEIFEQVASANPIHYSLQHQHPFYEYKVKKLLCEIAIGMMPSTVWTGNNIDATGGYLVIKEDGDVICYHLYHRHEFEEYLYNNTRFEAASKSRHNYGNLFIENGELYMTLNLQIRFK 5K6I Chain:F ((111-157)) -----------------------------------------------------------NKAVVSLSNGVSVLTFKVLDLKNYIDKQLLPILNKQ---SCSIPNIETVI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5K6I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 64 -3058 -47.77 -65.05 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain F : 0.53 3D Compatibility (PKB) : -47.77 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_5K6I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K6I-query.scw PDB file : Tito_Scwrl_5K6I.pdb: