Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPVPEQKQTVQLSSPMNAVSSSEDIKPPLGLNGVMKVPAHRIGTLSLSLTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCMIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRAKERSEAEFGGCANEDMPVEKILEAELAVEPKTETYVEANLSPSANSPNDPVTNICQAADKQLFTLVEWAKRIPHFSDLPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHTAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPSEVEALRERVYASLEAYCKHKYPDQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQIT |
3R2A Chain:C ((6-231)) | ------------------------------------------------------------------------------------------------------------------------------------------------EDMPVERILEAELAVEP-----------------------ICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLME--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R2A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -106043 for 1506 contacts (-70.4/contact) +
2D Compatibility (PS) -22409 + (NN) -20298 + (LL) 9736
1D Compatibility (HY) -31600 + (ID) 9850
Total energy: -180464.0 ( -119.83 by residue)
QMean score : 0.709
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