Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDNNDTYLHLSSSLQVAHGHLSSPPSQPPLSSMVSHHHPSIINGLGSPYSVITSSSLGSPSASMPTTSNMGYGALNSPQMNSLNSVSSSEDIKPPPGLAGLGSYPCGSPGSLSKHICAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLTYTCRDNKDCQIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRGRERSDNEVDSSSSFNEEMPVEKILDAELAVEPKTEAYMESSMSNSTNDPVTNICQAADKQLFTLVEWAKRIPHFSDLPLDDQVILLRAGWNELLIASFSHRSVTVKDGILLATGLHVHRSSAHSAGVGSIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDAKGLSNPSEVEALREKVYASLEGYTKHNYPDQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQIT |
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) -98639 for 1506 contacts (-65.5/contact) +
2D Compatibility (PS) -22087 + (NN) -17451 + (LL) 8036
1D Compatibility (HY) -31200 + (ID) 9450
Total energy: -170791.0 ( -113.41 by residue)
QMean score : 0.438
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