Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQDLQKEVASRKTFAIISHPDAGKTTITEQLLLFGGVIRSAGTVKGKKSGKFATSDWMEIEKQRGISVTSSVMQFDYNGSRINILDTPGHSDFSEDTYRTLMAVDSAVMVIDAAKGIEAQTLKLFKVCRMRGIPIFTFINKMDRQGKMPLELLAELEEVLGIESYPMNWPIGMGKELAGLYDRYHRVIEQYRSEEDERF-----LPLGEDGDLKEAHAIQKSLYYDQALEEIMLLDEAGNDFSRERIIAGEQTPVFFGSALTNFGVETFLRTFVDFAPAPSSHESNEGVIEADNPKFSGFIFKIQANMNPAHRDRIAFIRICSGEFERGMNVTLTRTGKSLKLANSTQFMADDRETVNRAVAGDIIGLYDTGNYQIGDTITNGSKKLEFEKLPQFTPELFMRVYAKNVMKQKHFHKGVEQLVQEGAIQLFKTWRTEEYIIGAVGQLQFEVFEHRMRGEYNSEIRMEPIGKKIARWVKEEDADEKLSTARSMLVKDRFDQPLFLFENEFAINWFNDKNPDIELTSLL |
3VR1 Chain:D ((20-496)) | MSSRLEREAARRRTFAIISHPDAGKTTLTEKLLLFGGAIQMAGSVKARKAARHATSDWMAMERERGISVTTSVMQFPYRDRVVNLLDTPGHQDFSEDTYRVLTAVDSALVVIDAAKGVEAQTRKLMDVCRMRATPVMTFVNKMDREALHPLDVMADIEQHLQIECAPMTWPIGMGSSFKGTYDLLHKQLHLFSA-----IQSGIVIHGADDPQLDEYLGDQA----EQLRMDLALLEEAGTPFDEERYLKGELTPVFFGSAINNFGVREMLDMFVEFAPGPQPRPAATRVVEPGEEAFTGVVFKIQA--------RMAFLRICSGTFTRGMRLKHHRTGKDVTVANATIFMAQDRTGVEEAFPGDIIGIPNHGTIKIGDTFTESKEVLKFVGIPNFAPEHFRRVRLKNPLKAKQLQKGLEQLAEEGAVQLFRPLVNNDYILGAVGVLQFDVIVARLADEYGVDAVYEGVSTHTARWVYCED---------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VR1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187998 for 3832 contacts (-49.1/contact) +
2D Compatibility (PS) -49845 + (NN) -21173 + (LL) 4044
1D Compatibility (HY) -43600 + (ID) 12150
Total energy: -310722.0 ( -81.09 by residue)
QMean score : 0.512
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