Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASLTFEHVKKSY-HSQLTVKDFDLDVKDKELLVLVGPSGCGKSTTLRMVAGLESISEGNLLIDGERVNDLPPKE--RDIAMVFQNYALYPHMTVFDNMAFGLKLRKMAKQEIAERVHAAARILEIEHLLKRKPKA-----------LSGGQRQRVALGRSIVREPKVFLMDEPLSNLDAKLRVTMRTEISKLHQRLEATIIYVTHDQTEAMTMGDRIVVMNEGEIQQVAKPHDIYHYPANLFVAGFIGSPGMNFLKGIIEQQHGELFFTNSSIRLHIPEEKAKRLKEKGYAGEQMIAGVRPEHITQMTGNDQLFDSVFQANVEVNENLGSELIVHVMAGDERLKVRLDGNTRIDAGDSIQLSVKMDHVVFFDAETEEAVY 3NHA Chain:A ((54-266)) ---IEFENVHFSYAD-RETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLF-NDTIADNIRYG---RVTAGN---DEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCA--NRTTIVVAH-RLSTVVNADQILVIKDGCI-----------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NHA.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 : 948 -1336 -1.41 -6.74 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -1.41 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_3NHA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NHA-query.scw PDB file : Tito_Scwrl_3NHA.pdb: