Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQDLQKEVASRKTFAIISHPDAGKTTITEQLLLFGGVIRSAGTVKGKKSGKFATSDWMEIEKQRGISVTSSVMQFDYNGSRINILDTPGHSDFSEDTYRTLMAVDSAVMVIDAAKGIEAQTLKLFKVCRMRGIPIFTFINKMDRQGKMPLELLAELEEVLGIESYPMNWPIGMGKELAGLYDRYHRVIEQYRSEEDERF-----LPLGEDGDLKEAHAIQKSLYYDQALEEIMLLDEAGNDFSRERIIAGEQTPVFFGSALTNFGVETFLRTFVDFAPAPSSHESNEGVIEADNPKFSGFIFKIQANMNPAHRDRIAFIRICSGEFERGMNVTLTRTGKSLKLANSTQFMADDRETVNRAVAGDIIGLYDTGNYQIGDTITNGSKKLEFEKLPQFTPELFMRVYAKNVMKQKHFHKGVEQLVQEGAIQLFKTWRTEEYIIGAVGQLQFEVFEHRMRGEYNSEIRMEPIGKKIARWVKEEDADEKLSTARSMLVKDRFDQPLFLFENEFAINWFNDKNPDIELTSLL |
3VQT Chain:D ((21-496)) | -SSRLEREAARRRTFAIISHPDAGKTTLTEKLLLFGGAIQMAG------------------------SVTTSVMQFPYRDRVVNLLDTPGHQDFSEDTYRVLTAVDSALVVIDAAKGVEAQTRKLMDVCRMRATPVMTFVNKMDREALHPLDVMADIEQHLQIECAPMTWPIGMGSSFKGTYDLLHKQLHLFS-----RIQSGIVIHGADDPQLDEYLGDQA----EQLRMDLALLEEAGTPFDEERYLKGELTPVFFGSAINNFGVREMLDMFVEFAPGPQPRPAATRVVEPGEEAFTGVVFKIQAN----HRDRMAFLRICSGTFTRGMRLKHHRTGKDVTVANATIFMAQDRTGVEEAFPGDIIGIPNHGTIKIGDTFTESKEVLKFVGIPNFAPEHFRRVRLKNPLKAKQLQKGLEQLAEEGAVQLFRPLVNNDYILGAVGVLQFDVIVARLADEYGVDAVYEGVSTHTARWVYCED---------------------------------------------- |
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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) -202418 for 3687 contacts (-54.9/contact) +
2D Compatibility (PS) -47982 + (NN) -25137 + (LL) 5580
1D Compatibility (HY) -41600 + (ID) 11700
Total energy: -323257.0 ( -87.67 by residue)
QMean score : 0.549
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