Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAPSSFAPPRLELRGISKRYPGCLANDRIDLCIDAGEIHALLGENGAGKSTLMKIIYGVTRPDAGEIRWQGEPVQVRDPARARALGIGMVFQHFSLFETLSVAENIALALGAEAGSPR-RLEARIREVSQRYGMPLEPRRLVHGLSIGERQRVEIVRCLMQDIRLLILDEPTSVLTPREAEDLFVTLRRLAEEGCSVLFISHKLAEVRALCQRATVLRGGRVAGQCVPAQCSDLELARLMVGDAEGLAAEYPKVTGGAPFLQVRDLHWRNPDPFGVSFAGLDLEVRSGEILGIAGVAGNGQDELLALLSGEVRLPRAQAERIRLGGCAGAHLAPDARRRAGQAFVPAERLGHGAVPEMSLADNALLTAFQQGLVKRGLVRRRKVLALAEEIIRRFAVKAPGAGAPARSLSGGNLQKFILGREILQAPRLLVAAHPTWGVDVGAAALIHRALIALRDAGTAILVVSEDLDELFLLSDRIAALCSGRLCPAVATASASPQKVGGWMAGQFEAPAAVAGAVAQGSL |
4U02 Chain:A ((3-225)) | ---------PIIRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQRVLH---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4U02.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -135609 for 1860 contacts (-72.9/contact) +
2D Compatibility (PS) -24391 + (NN) -14109 + (LL) 19488
1D Compatibility (HY) -13200 + (ID) 3300
Total energy: -171121.0 ( -92.00 by residue)
QMean score : 0.419
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