Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQDLQKEVASRKTFAIISHPDAGKTTITEQLLLFGGVIRSAGTVKGKKSGKFATSDWMEIEKQRGISVTSSVMQFDYNGSRINILDTPGHSDFSEDTYRTLMAVDSAVMVIDAAKGIEAQTLKLFKVCRMRGIPIFTFINKMDRQGKMPLELLAELEEVLGIESYPMNWPIGMGKELAGLYDRYHRVIEQYRSEEDERF-----LPLGEDGDLKEAHAIQKSLYYDQALEEIMLLDEAGNDFSRERIIAGEQTPVFFGSALTNFGVETFLRTFVDFAPAPSSHESNEGVIEADNPKFSGFIFKIQANMNPAHRDRIAFIRICSGEFERGMNVTLTRTGKSLKLANSTQFMADDRETVNRAVAGDIIGLYDTGNYQIGDTITNGSKKLEFEKLPQFTPELFMRVYAKNVMKQKHFHKGVEQLVQEGAIQLFKTWRTEEYIIGAVGQLQFEVFEHRMRGEYNSEIRMEPIGKKIARWVKEEDADEKLSTARSMLVKDRFDQPLFLFENEFAINWFNDKNPDIELTSLL |
3VQT Chain:A ((20-496)) | MSSRLEREAARRRTFAIISHPDAGKTTLTEKLLLFGGAIQMAGSVKAR--------------------VTTSVMQFPYRDRVVNLLDTPGHQDFSEDTYRVLTAVDSALVVIDAAKGVEAQTRKLMDVCRMRATPVMTFVNKMDREALHPLDVMADIEQHLQIECAPMTWPIGMGSSFKGTYDLLHKQLHLFS-------QSGIVIHGADDPQLDEYLGDQA----EQLRMDLALLEEAGTPFDEERYLKGELTPVFFGSAINNFGVREMLDMFVEFAPGPQPRPAATRVVEPGEEAFTGVVFKIQAN-------RMAFLRICSGTFTRGMRLKHHRTGKDVTVANATIFMAQDRTGVEEAFPGDIIGIPNHGTIKIGDTFTESKEVLKFVGIPNFAPEHFRRVRLKNPLKAKQLQKGLEQLAEEGAVQLFRPLVNNDYILGAVGVLQFDVIVARLADEYGVDAVYEGVSTHTARWVYCED---------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VQT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -207881 for 3701 contacts (-56.2/contact) +
2D Compatibility (PS) -47898 + (NN) -24310 + (LL) 5444
1D Compatibility (HY) -42000 + (ID) 11600
Total energy: -328245.0 ( -88.69 by residue)
QMean score : 0.545
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