Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALIRKRRLTEQQQRRIEKQHKTRQEEVDTSQDLDGLVVQHYGRQLEVQALSVPAHHPEKPQVAEGEPEPFWKPIELNSVWRCHTRTNLELLVTGDRVKWQ-----ADPNTGLGIITAIHPRTSLLTRPDRYHKVKPVAANISLIVIVFAPLPEPAPTLIDRYLVACADANIPALLVLNKSDLLTENNPIL--DMLKEYENLGYEVMIC--HSKGDISALSQRLDGETVAFVGQSGVGKSSLINVLIP-DAEQKTNIISENSALGQHTTTSTRLINFGRNGALIDSPGIREFGLWHLDLDKIRMGFPEIEAHLGSCQFRNCTHTHEKNCGLKQAVEAGEILPRRLDSFLRLIDEIQEAQQKN 5NO4 Chain:Z ((28-309)) -------------------------------------------------------------------------------VHRCNIRRTIRSLVTGDRVVWRPGKPAAEGVNVKGIVEAVHERTSVLTRPDFYDGVKPIAANIDQIVIVSAILPELSLNIIDRYLVACETLQIEPIIVLNKIDLLDDEGMAFVNEQMDIYRNIGYRVLMVSSHTQDGLKPLEEALTGRISIFAGQSGVGKSSLLNALLGLQKEILTNDISDNSGLGQHTTTAARLYHFPHGGDVIDSPGVREFGLWHLEPEQITQGFVEFHDYLGLCKYRDCKHDTDPGCAIREAVEEGKIAETRFENYHRILESMAQVKTR-

General information: TITO was launched using: RESULT: Template: 5NO4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain Z - contact count / total energy / energy per contact / energy per residue : 1184 10995 9.29 40.42 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain Z : 0.79 3D Compatibility (PKB) : 9.29 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_5NO4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NO4-query.scw PDB file : Tito_Scwrl_5NO4.pdb: