Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSAAMDTKHFLPLGGRTCADTLRCTTSWTAGYDFSSQVNSSSLSSSGLRGSMTAPLLHPSLGNSGLNNSLGSPTQLPSPLSSPINGMGPPFSVISPPLGPSMAIPSTPGLGYGTGSPQIHSPMNSVSSTEDIKPPPGINGILKVPMHPSGAMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDSKDCMIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKERNENEVESSNSANEDMPVEKILEAEHAVEPKTETYTEANMGLAPNSPSDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPLEVEALREKVYASLEAYCKQKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT |
4N8R Chain:A ((45-241)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPH--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4N8R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -117500 for 1429 contacts (-82.2/contact) +
2D Compatibility (PS) -21327 + (NN) -12177 + (LL) 10580
1D Compatibility (HY) -30000 + (ID) 9750
Total energy: -180174.0 ( -126.08 by residue)
QMean score : 0.604
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