Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMASLTFEHVKKSY-HSQLTVKDFDLDVKDKELLVLVGPSGCGKSTTLRMVAGLESISEGNLLIDGERVNDLPPKE--RDIAMVFQNYALYPHMTVFDNMAFGLKLRKMAKQEIAERVHAAARILEIEHLLKRKPKA-----------LSGGQRQRVALGRSIVREPKVFLMDEPLSNLDAKLRVTMRTEISKLHQRLEATIIYVTHDQTEAMTMGDRIVVMNEGEIQQVAKPHDIYHYPANLFVAGFIGSPGMNFLKGIIEQQHGELFFTNSSIRLHIPEEKAKRLKEKGYAGEQMIAGVRPEHITQMTGNDQLFDSVFQANVEVNENLGSELIVHVMAGDERLKVRLDGNTRIDAGDSIQLSVKMDHVVFFDAETEEAVY
3NHB Chain:A ((54-266))---IEFENVHFSYAD-RETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLF-NDTIADNIRYG---RVTAGN---DEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCA--NRTTIVVAH-RLSTVVNADQILVIKDGCI-----------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3NHB.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 : 955 -1013 -1.06 -5.11
target 2D structure prediction score : 0.51
Monomeric hydrophicity matching model chain A : 0.68

3D Compatibility (PKB) : -1.06
2D Compatibility (Sec. Struct. Predict.) : 0.51
1D Compatibility (Hydrophobicity) : 0.68
QMean score : 0.423

(partial model without unconserved sides chains):
PDB file : Tito_3NHB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NHB-query.scw
PDB file : Tito_Scwrl_3NHB.pdb: