Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLIIVMLTIFTAVLVVGCSGTGTADKAETKKETTKESKQANAVKKEVKEMKSNLDDVKKAISDKDKSALQSSAAELHKHWLEFENNVRDLYPLQYTDVEKYETPIFYESKNDNPNFDTLNDNATGLDGALDTLEKAKETKAKTSEVLDKAVDNYSKYVTEQVDEFVAQTEIFTNAVKSGDIEKAKAAYVSPRLNYERIEPIAESFGDLDPKIDARINDVENEA---DWTGFHVIERALWEKKSLEGMDVYADKLLTDAKALQAEVKNLKLEPKPMVAGAMELLNEAATTKITGEEEAYSHTDLDDLNANVEGSKVVYQAIIPALNAQDKKLADQIDAAFNKMEDTLANYKNGD-SFVLYTTLTKDQIRDISDQLSHLSELMAQTGKIF---- |
3AT7 Chain:A ((25-275)) | -----------------------------------------------------------------------------------------------------------------------------------------------VAPLDLVQPISDYKIYVSENLQTLVRDTREFTNAVKAGDVAKAKKLFASTRMSYERIEPIAELFSDLDASIDSRADDHEKAEKDPAFFGFHRIEYGLFAQNSAKGLAPVADKLMADVLELQKRIRGLTFPPEKVVGGAAVLMEEVAATKISGEEDRYSHTDLWDFQANFEGAKKIVDLFRPLVVKDNRAFADKVDANFDTVFKTLAKYRTADGGFELYGKLSERDRKVLAGRVNTLAEDLSKMRGLLGLDL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AT7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -68124 for 1984 contacts (-34.3/contact) +
2D Compatibility (PS) -25712 + (NN) -6195 + (LL) 9424
1D Compatibility (HY) -18800 + (ID) 4800
Total energy: -114207.0 ( -57.56 by residue)
QMean score : 0.598
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