Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAPSSFAPPRLELRGISKRYPGCLANDRIDLCIDAGEIHALLGENGAGKSTLMKIIYGVTRPDAGEIRWQGEPVQVRDPARARALG-IGMVFQHFSLFETLSVAENIALALGAEAGSPR-RLEARIREVSQRYGMPLEPRRLVHGLSIGERQRVEIVRCLMQDIRLLILDEPTSVLTPREAEDLFVTLRRLAEEGCSVLFISHKLAEVRALCQRATVLRGGRVAGQCVPAQCSDLELARLMVGDAEGLAAEYPKVTGGAPFLQVRDLHWRNPDPFGVSFAGLDLEVRSGEILGIAGVAGNGQDELLALLSGEVRLPRAQAERIRLGGCAGAHLAPDARRRAGQAFVPAERLGHGAVPEMSLADNALLTAFQQGLVKRGLVRRRKVLALAEEIIRRFAVKAPGAGAPARSLSGGNLQKFILGREILQAPRLLVAAHPTWGVDVGAAALIHRALIALRDAGTAILVVSEDLDELFLLSDRIAALCSGRLCPAVATASASPQKVGGWMAGQFEAPAAVAGAVAQGSL |
3C4J Chain:A ((43-248)) | -----------------------------INVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3C4J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -125754 for 1609 contacts (-78.2/contact) +
2D Compatibility (PS) -22050 + (NN) -11423 + (LL) 20456
1D Compatibility (HY) -13200 + (ID) 3100
Total energy: -155071.0 ( -96.38 by residue)
QMean score : 0.473
|
|
|