Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MYQTIIIGGGPSGLMAAVAASEQSSSVLLIEKKKGLGRKLKISGGGRCNVTNRLPYAEIIKNIPGNGKFLYSPFSIFDNESIIDFFESRGVKLKEEDHGRMFPVSNKAQDVVDTLVTTIERQHVTIKEEEAVSRIEVNTDQTFTVHTQNNSYESHSLVIATGGTSVPQTGSTGDGYKFAQDLGHTITELFPTEVPITSAEPFIKSNRLKGLSLKDVELSVLKKNGKKRISHQMDMLFTHFGISGPAALRCSQFVYKEQKNQKTQHISMAIDAFPELNHEQLKQHITSLLSDTPDKIIKNSLHGLIEERYLLFMLEQAGIDENTTSHHLSNQQLNDLVNMFKGFVFKVNGTLPIDKAFVTGGGVSLKEIQPKTMMSKLVPGLFLCGEVLDIHGYTGGYNITSALVTGHVAGLYAGHYSHTSME |
4CNK Chain:B ((4-386)) | -FDTIIIGGGPAGMMATISSSFYGQKTLLLEKNKRLGKKLAGTGGGRCNVTNNGNLDDLMAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPVTDKSRTIIEALEKKIAELGGTVITNTEIVSVK-KTDELFTVRSSDQAWTCQKLIVTTGGKSYPSTGSTGFGHDIARHFKHTVTDLEAAESPLLTDFP---HKALQGISLDDVTLSY----GKHIITH--DLLFTHFGLSGPAALRLSSFVKGGE--------TIYLDVLPQMS----QQDLADFLEEHREKSLKNCLKILLPERIADFFTQP--FPEKVKQLNLSEKEA--LIKQIKELPISVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVLDINAHTGGFNITSALCTGWVAG------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CNK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -232944 for 3460 contacts (-67.3/contact) +
2D Compatibility (PS) -40845 + (NN) -6903 + (LL) 2928
1D Compatibility (HY) -35200 + (ID) 9000
Total energy: -321964.0 ( -93.05 by residue)
QMean score : 0.447
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