Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEQTPEQPSTAPNPALQRQRASQLAQALRTELQKALIGQGAVIDDVLTALLAGGHVLVEGVPGLGKTLLVRALARCFDGGFARIQFTPDLMPSDVTGHAVYDLASEQFKLRKGPVFTHLLLADEINRAPAKTQAALLEVMQERQVTLEGRALPVPQPFMVLATQNPIEQEGTYPLPEAELDRFMLKLRIDYPAEAEEQTLVRQVTRSARSDMLDVANLRPLLKDKDVLALQRIASDLPIDDQVLDYAVRLARTTRNWPGLALGAGPRASIALVRCGRARALLRGGEFVVPDDIKGCALAVL-------RHRVRLSPELDIEGLSVDQVLQQLLDQVPAPRV------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
3NBX Chain:X ((5-499)) | -----------------HPHLLAERISRLSSSLEKGLYERSHAIRLCLLAALSGESVFLLGPPGIAKSLIARRLKFAFQNA----RAFEYLMTRFSTPEEVFGPLSERLTSGYLPEAE-IVFLDEIWKAGPAILNTLLTAINERQFRNGAHVEKIPMRLLVAASNELPEADSSL---EALYDRMLIRLWLDKVQDKANFRSMLTSQQDENDNPVPD---ALQVTDEEYERWQKEIGEITLPDHVFELIFMLRQQLDKLPD-APYVSDRRWKKAIRLLQASAFFSGRSAVAPVDLILLKDCLWYDAQSLNLIQQQIDVLMTGHAWQQQGMLTRLGAIVQRHLQLQQQQSDKTALTVIRLGGIFSRRQQYQLPVNVTASTLTLLLQKPLKLHDMEVVHISFERSALEQWLSKGGEIRGKLNGIGFAQKLNLEVDSAQHLVVRDVSLQGSTLALPGSLPGEIKQQLEELESDWRKQHALFSEQQKCLFIPGDWLGRIEASLQDVGAQIRQAQQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NBX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140091 for 2310 contacts (-60.6/contact) +
2D Compatibility (PS) -32724 + (NN) -7769 + (LL) 1464
1D Compatibility (HY) -13200 + (ID) 3100
Total energy: -195420.0 ( -84.60 by residue)
QMean score : 0.466
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