Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------------------------MSTAAVLRARFPRAVANLRQYGGAAARGLDEAG---QLTWFALTSIGQIAHALRYYRKETLRLIAQIG-------------MGTGAMA----------------VVGGTVAIVG-------------FVT----------LSGSSLVAIQGFASLGNIGVEAFTGFFAALINVRIAGPVVTGVALAATVGAGATAELGAMRISEEIDALEVMGIKSISFLASTRIMAGLVVIIP---------LYALAMIMSFLSPQITTTVL-YGQSNGTYEHYFQTFLRPDDVFWSFLEAL----------IITAIVMVSHCYYGYAAGGG---------PVGVGEAVGRSMRFSLVSVQVVVLFAALALYGVDPNFNLTV--------- |
4MND Chain:A ((40-457)) | LMKAVILAAGLGGGVPKPLVRVGGCEIILRTMKLLSPHVSEFIIVASRYADDIDAFLKDKGFNYKIVRHDRPEKGNGYSLLVAKNHVEDRFILTMGDHVYSQQFIEKAVRGEGVIADREPRFVDIGEATKIRVEDGRVAKIGKDLREFDCVDTGFFVLDDSIFEHAEKLRDREEIPLSEIVKLARLPVTYVDGELWMDVDTKEDVRRANRALVSAAVGDGFISRKINRKISTRISAAIVNKVNPNQMTLISFLVGAFSALASFFSIPLAGLLYQFSSILDGCDGEIARASLKMSKKGGYVDSILDRFV--DFLFLAIIALLYPKTATVAMFAIFGSVMVSYTSEKYKAEFGESIRVLNYIPGKRDERIFLIMIFCLLSAISLQWIFWMFLFVAAISLTRVVVTLLAVLVS |
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General information:
TITO was launched using:
| RESULT:
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Template: 4MND.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178460 for 1981 contacts (-90.1/contact) +
2D Compatibility (PS) -30307 + (NN) 1687 + (LL) -40
1D Compatibility (HY) -13200 + (ID) 2950
Total energy: -223270.0 ( -112.71 by residue)
QMean score : 0.148
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