Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALIRKRRLTEQQQRRIEKQHKTRQEEVDTSQDL-----DGLVVQHYGRQLEVQALSVPAHHPEKPQVAEGEPEPFWKPIELNSVWRCHTRTNLELLVTGDRVKWQ---ADPNTGLGIITAIHPRTSLLTRPDRYHKVKPVAANISLIVIVFAPLPEPAPTLIDRYLVACADANIPALLVLNKSDLLTENNPIL--DMLKEYENLGYEVMIC--HSKGDISALSQRLDGETVAFVGQSGVGKSSLINVLIP-DAEQKTNIISENSALGQHTTTSTRLINFGRNGALIDSPGIREFGLWHLDLDKIRMGFPEIEAHLGSCQFRNCTHTHEKNCGLKQAVEAGEILPRRLDSFLRLIDEIQEAQQKN 2YKR Chain:W ((35-337)) ---------------------------------LFGEPDEGIVISRFGMHADVES-------------ADGD------------VHRCNIRRTIRSLVTGDRVVWRPGK-----VKGIVEAVHERTSVLTRP-----VKPIAANIDQIVIVSAILPELSLNIIDRYLVACETLQIEPIIVLNKIDLLDDEGMAFVNEQMDIYRNIGYRVLMVSSHTQDGLKPLEEALTGRISIFAGQSGVGKSSLLNALLGLQKEILTN-------------TAARLYHFPHGGDVIDSPGVREFGLWHLEPEQITQGFVEFHDYLGLCKYRDCKHDTDPGCAIREAVEEGKIAETRFENYHRILESMA------

General information: TITO was launched using: RESULT: Template: 2YKR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain W - contact count / total energy / energy per contact / energy per residue : 1478 6475 4.38 24.43 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain W : 0.79 3D Compatibility (PKB) : 4.38 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_2YKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YKR-query.scw PDB file : Tito_Scwrl_2YKR.pdb: