Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHRYSEKYRENGGIRVKYVEVKNEYKRYKMGETTITANDDISFSIEKGELVIILGPSGAGKSTILNILGGMDTPDEGQIIIDDTDIAQFSDKQLTAYRRTDVGFVFQFYNLVPNLTAKENVELATEVSPDALDPVEVLRQ-VGLAHRLNNFPS-----------QLSGGEQQRVSIARALAKNPKLLLCDEPTGALDFETGKQVLKLLQNASRQHGNTVLIITHNSALAPIADRVIHINDAKVRSVELNDHPSSIDEIVW 3NH9 Chain:A ((54-274)) ------------------IEFENVHFSYADGRETL---QDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASL----RSHIGVVPQDTVLF-NDTIADNIRYGRVTAGN--DEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANR--TTIVVAHRLSTVVNADQILVIKDGCI--VERGRHEA-------

General information: TITO was launched using: RESULT: Template: 3NH9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1029 -40133 -39.00 -192.02 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -39.00 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_3NH9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NH9-query.scw PDB file : Tito_Scwrl_3NH9.pdb: