Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTLQDEIKKRRTFAIISHPDAGKTTITEQLLYFGGEIREAGTVKGKKSGTFAKSDWMDIEKQRGISVTSSVMQFDYAGKRVNILDTPGHEDFSEDTYRTLMAVDAAVMVVDSAKGIEAQTKKLFEVVKHRNIPVFTFINKLDRDGREPLDLLEELEEVLGIASYPMNWPIGMGKSFEGLYDLHNKRLELYKGDERFASIEDGDQLF-ANNPFY--------EQVKEDIELLQEAGNDFSEQAILDGDLTPVFFGSALTNFGVQTFLDTFLEFAPEPHGHKTTEGNVIDPLAKDFSGFVFKIQANMDPRHRDRIAFVRIVSGEFERGMGVNLTRTGKGAKLSNVTQFMAESRENVTNAVAGDIIGVYDTGTYQVGDTLTVGKNKFEFEPLPTFTPELFMKVSAKNVMKQKSFHKGIEQLVQEGAIQLYKNYQTGEYMLGAVGQLQFEVFKHRMEGEYNAEVVMTPMGKKTVRWINSDD---LDERMSSSRNILAKDRFDQPVFLFENDFALRWFADKYPDVKLEEKM |
3VR1 Chain:C ((33-541)) | -----------TFAIISHPDAGKTTLTEKLLLFGGAIQMAGSVKARKAARHATSDWMAMERERGISVTTSVMQFPYRDRVVNLLDTPGHQDFSEDTYRVLTAVDSALVVIDAAKGVEAQTRKLMDVCRMRATPVMTFVNKMDREALHPLDVMADIEQHLQIECAPMTWPIGMGSSFKGTYDLLHKQLHLFSA------IQSGIVIHGADDPQLDEYLGDQAEQLRMDLALLEEAGTPFDEERYLKGELTPVFFGSAINNFGVREMLDMFVEFAPGPQP-RPAATRVVEPGEEAFTGVVFKIQA--------RMAFLRICSGTFTRGMRLKHHRTGKDVTVANATIFMAQDRTGVEEAFPGDIIGIPNHGTIKIGDTFTESKEVLKFVGIPNFAPEHFRRVRLKNPLKAKQLQKGLEQLAEEGAVQLFRPLVNNDYILGAVGVLQFDVIVARLADEYGVDAVYEGVSTHTARWVYCEDKKIFADFQDYHRGELAVDAEGALAYLAPNPWRLESAMERYPKVEFRTTR |
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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) -207961 for 4020 contacts (-51.7/contact) +
2D Compatibility (PS) -52216 + (NN) -21191 + (LL) 1616
1D Compatibility (HY) -46400 + (ID) 12050
Total energy: -338202.0 ( -84.13 by residue)
QMean score : 0.516
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