Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQGLNHTSVSEFILVGFSAFPHLQLMLFLLFLLMYLFTLLGNLLIMATVWSERSLHMPMYLFLCALSITEILYTVAIIPRMLADLLSTQRSIAFLACASQMFFSFSFGFTHSFLLTVMGYDRYVAICHPLRYNVLMSLRGCTCRVGCSWAGGLVMGMVVTSAIFHLAFCGHKEIHHFFCHVPPLLKLACGDDVLVVAKGVGLVCITALLGCFLLILLSYAFIVAAILKIPSA-----------EGRNKAFSTCASHLTVVVVHYGFASVIYLKPKGPQS---PE-G--DTLMGITYTVLTPFLSPIIFSLRNKELKVAMKKTCFTKLFPQNC |
2KS9 Chain:A ((33-325)) | ------------------------VLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRL--SATATKVVICVIWVLALLLAFPQGYYS-TTET----MPSRVVCMIEWPEH---PNKI-YEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAG |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KS9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -282457 for 2164 contacts (-130.5/contact) +
2D Compatibility (PS) -27765 + (NN) -9123 + (LL) 2760
1D Compatibility (HY) -21600 + (ID) 1900
Total energy: -340085.0 ( -157.16 by residue)
QMean score : 0.247
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