Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAPSSFAPPRLELRGISKRYPGCLANDRIDLCIDAGEIHALLGENGAGKSTLMKIIYGVTRPDAGEIRWQGEPVQVRDPARARAL-GIGMVFQHFSLFETLSVAENIALALGAEAG-SPRRLEARIREVSQRYGMPLEPRRLVHGLSIGERQRVEIVRCLMQDIRLLILDEPTSVLTPREAEDLFVTLRRLAEEGCSVLFISHKLAEVRALCQRATVLRGGRVAGQCVPAQC-SDLELARLMVGDAEGLAAEYPKVTGGAPFLQVRDLHWRNPDPFGVSFAGLDLEVRSGEILGIAGVAGNGQDELLALLSGEVRLPRAQAERIRLGGCAGAHLAPDARRRAGQAFVPAERLGHGAVPEMSLADNALLTAFQQGLVKRGLVRRRKVLALAEEIIRRFAVKAPGAGAPARSLSGGNLQKFILGREILQAPRLLVAAHPTWGVDVGAAALIHRALIALRDAGTAILVVSEDLDELFLLSDRIAALCSGRLCPAVATASASPQKVGGWMAGQFEAPAAVAGAVAQGSL |
4P31 Chain:A ((3-234)) | -----------LTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLL-PLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVYL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4P31.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -35272 for 1792 contacts (-19.7/contact) +
2D Compatibility (PS) -22073 + (NN) 9626 + (LL) 19996
1D Compatibility (HY) 5200 + (ID) 1400
Total energy: -23923.0 ( -13.35 by residue)
QMean score : 0.147
|
|
|